USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=61 USER MOD reduce.3.24.130724 removed 1592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 55 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0292) USER MOD Set 1.2: Y 105 HIS : no HD1:sc= -3.2 K(o=-4.3,f=-7.2) USER MOD Set 1.3: Y 109 MET CE :methyl 151:sc= -1.12 (180deg=0) USER MOD Set 2.1: A 55 LYS NZ :NH3+ -177:sc= -0.0555 (180deg=-0.0608) USER MOD Set 2.2: X 105 HIS : no HE2:sc= -3.98! C(o=-5!,f=-8.4!) USER MOD Set 2.3: X 109 MET CE :methyl 153:sc= -0.998 (180deg=0) USER MOD Set 3.1: A 15 HIS : no HE2:sc= -1.59 X(o=-1.8,f=-1.9) USER MOD Set 3.2: B 85 HIS : no HE2:sc= -0.163 X(o=-1.8,f=-1.9) USER MOD Set 4.1: B 29 LYS NZ :NH3+ -127:sc= 0 (180deg=0) USER MOD Set 4.2: B 50 GLN : amide:sc= -5! C(o=-5!,f=-7.6!) USER MOD Set 5.1: B 37 ASN :FLIP amide:sc= 0.684 F(o=-3.7,f=0.3) USER MOD Set 5.2: B 38 ASN :FLIP amide:sc= -0.389 F(o=-9.3!,f=0.3) USER MOD Set 6.1: A 85 HIS : no HE2:sc= -0.0968 X(o=-1.7,f=-2.1) USER MOD Set 6.2: B 15 HIS : no HE2:sc= -1.59 X(o=-1.7,f=-2.1) USER MOD Set 7.1: A 81 THR OG1 : rot 89:sc= 0.69 USER MOD Set 7.2: B 7 MET CE :methyl 161:sc= 0 (180deg=-0.665) USER MOD Set 8.1: A 37 ASN :FLIP amide:sc= 0.659 F(o=-3.9,f=0.17) USER MOD Set 8.2: A 38 ASN :FLIP amide:sc= -0.491 F(o=-9.5!,f=0.17) USER MOD Set 9.1: A 29 LYS NZ :NH3+ -122:sc= 0 (180deg=0) USER MOD Set 9.2: A 50 GLN : amide:sc= -5.07! C(o=-5.1!,f=-7.2!) USER MOD Set10.1: A 7 MET CE :methyl 162:sc= 0 (180deg=-0.6) USER MOD Set10.2: B 81 THR OG1 : rot 96:sc= 0.72 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 160:sc= -0.142 (180deg=-0.839) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.35) USER MOD Single : A 17 TYR OH : rot 15:sc= -0.65 USER MOD Single : A 18 SER OG : rot 180:sc= -0.312 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 26 LYS NZ :NH3+ 175:sc= -0.495! (180deg=-0.587) USER MOD Single : A 28 LYS NZ :NH3+ 143:sc= -0.173 (180deg=-0.849) USER MOD Single : A 30 SER OG : rot 180:sc= -0.303 USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.0312 (180deg=-0.417) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0351 X(o=-0.035,f=-0.064) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= -0.283 (180deg=-0.557) USER MOD Single : A 57 MET CE :methyl -111:sc= -1.87 (180deg=-5.17!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -13:sc= 0.012 USER MOD Single : A 71 GLN : amide:sc= -0.0267 K(o=-0.027,f=-0.83) USER MOD Single : A 74 MET CE :methyl -161:sc= -2.33 (180deg=-4.53!) USER MOD Single : A 78 SER OG : rot -120:sc= -2.31 USER MOD Single : A 79 MET CE :methyl 156:sc= -0.198 (180deg=-1.38!) USER MOD Single : A 82 THR OG1 : rot 92:sc= 0.111 USER MOD Single : A 84 CYS SG : rot 180:sc=0.000851 USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ 159:sc= -0.173 (180deg=-0.928) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.31) USER MOD Single : B 17 TYR OH : rot 15:sc= -0.65 USER MOD Single : B 18 SER OG : rot 180:sc= -0.301 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : B 26 LYS NZ :NH3+ 169:sc= -0.51! (180deg=-0.67) USER MOD Single : B 28 LYS NZ :NH3+ 159:sc= -0.152 (180deg=-0.87) USER MOD Single : B 30 SER OG : rot 90:sc= -0.334 USER MOD Single : B 33 LYS NZ :NH3+ -162:sc= -0.0473 (180deg=-0.398) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= -0.0306 X(o=-0.031,f=-0.035) USER MOD Single : B 48 LYS NZ :NH3+ -168:sc= -0.233 (180deg=-0.485) USER MOD Single : B 57 MET CE :methyl -112:sc= -1.84 (180deg=-5.35!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 CYS SG : rot -18:sc= -0.117 USER MOD Single : B 71 GLN : amide:sc= -0.0113 K(o=-0.011,f=-0.86) USER MOD Single : B 74 MET CE :methyl -159:sc= -2.21 (180deg=-4.45!) USER MOD Single : B 78 SER OG : rot -120:sc= -2.56 USER MOD Single : B 79 MET CE :methyl 156:sc= -0.226 (180deg=-1.09) USER MOD Single : B 82 THR OG1 : rot 94:sc= 0.0566 USER MOD Single : B 84 CYS SG : rot 180:sc= 0.00266 USER MOD Single : X 106 LYS NZ :NH3+ -159:sc= -0.0248 (180deg=-0.26) USER MOD Single : X 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 111 LYS NZ :NH3+ 137:sc= -5.33! (180deg=-8.89!) USER MOD Single : X 112 THR OG1 : rot -19:sc= -0.104 USER MOD Single : Y 106 LYS NZ :NH3+ -157:sc= -0.0348 (180deg=-0.403) USER MOD Single : Y 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : Y 111 LYS NZ :NH3+ 140:sc= -3.06 (180deg=-6.6!) USER MOD Single : Y 112 THR OG1 : rot -16:sc= -0.134 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 4.331 -2.212 -14.414 1.00 0.00 N ATOM 2 CA MET A 0 3.439 -3.059 -15.255 1.00 0.00 C ATOM 3 C MET A 0 2.138 -2.305 -15.542 1.00 0.00 C ATOM 4 O MET A 0 1.056 -2.821 -15.351 1.00 0.00 O ATOM 5 CB MET A 0 3.124 -4.362 -14.517 1.00 0.00 C ATOM 6 CG MET A 0 2.681 -4.048 -13.085 1.00 0.00 C ATOM 7 SD MET A 0 2.203 -5.582 -12.248 1.00 0.00 S ATOM 8 CE MET A 0 3.846 -6.043 -11.643 1.00 0.00 C ATOM 0 H1 MET A 0 5.037 -2.813 -13.943 1.00 0.00 H new ATOM 0 H2 MET A 0 4.815 -1.515 -15.015 1.00 0.00 H new ATOM 0 H3 MET A 0 3.764 -1.716 -13.697 1.00 0.00 H new ATOM 0 HA MET A 0 3.939 -3.288 -16.196 1.00 0.00 H new ATOM 0 HB2 MET A 0 2.338 -4.907 -15.040 1.00 0.00 H new ATOM 0 HB3 MET A 0 4.004 -5.006 -14.503 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.491 -3.562 -12.541 1.00 0.00 H new ATOM 0 HG3 MET A 0 1.842 -3.352 -13.097 1.00 0.00 H new ATOM 0 HE1 MET A 0 3.780 -6.979 -11.088 1.00 0.00 H new ATOM 0 HE2 MET A 0 4.523 -6.169 -12.488 1.00 0.00 H new ATOM 0 HE3 MET A 0 4.226 -5.259 -10.988 1.00 0.00 H new ATOM 20 N SER A 1 2.242 -1.085 -15.998 1.00 0.00 N ATOM 21 CA SER A 1 1.021 -0.281 -16.305 1.00 0.00 C ATOM 22 C SER A 1 0.167 -0.117 -15.044 1.00 0.00 C ATOM 23 O SER A 1 -1.016 0.151 -15.114 1.00 0.00 O ATOM 24 CB SER A 1 0.203 -0.977 -17.395 1.00 0.00 C ATOM 25 OG SER A 1 1.070 -1.379 -18.446 1.00 0.00 O ATOM 0 H SER A 1 3.126 -0.607 -16.172 1.00 0.00 H new ATOM 0 HA SER A 1 1.327 0.704 -16.657 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.313 -1.844 -16.982 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.563 -0.303 -17.778 1.00 0.00 H new ATOM 0 HG SER A 1 0.550 -1.827 -19.146 1.00 0.00 H new ATOM 31 N GLU A 2 0.763 -0.257 -13.893 1.00 0.00 N ATOM 32 CA GLU A 2 0.000 -0.088 -12.624 1.00 0.00 C ATOM 33 C GLU A 2 -0.224 1.404 -12.379 1.00 0.00 C ATOM 34 O GLU A 2 -0.555 1.828 -11.289 1.00 0.00 O ATOM 35 CB GLU A 2 0.788 -0.700 -11.464 1.00 0.00 C ATOM 36 CG GLU A 2 2.177 -0.063 -11.389 1.00 0.00 C ATOM 37 CD GLU A 2 2.957 -0.681 -10.228 1.00 0.00 C ATOM 38 OE1 GLU A 2 2.346 -1.378 -9.435 1.00 0.00 O ATOM 39 OE2 GLU A 2 4.152 -0.446 -10.151 1.00 0.00 O ATOM 0 H GLU A 2 1.751 -0.482 -13.776 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.963 -0.594 -12.697 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.254 -0.543 -10.527 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.879 -1.777 -11.602 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.712 -0.220 -12.326 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.088 1.014 -11.249 1.00 0.00 H new ATOM 46 N LEU A 3 -0.027 2.201 -13.391 1.00 0.00 N ATOM 47 CA LEU A 3 -0.202 3.671 -13.245 1.00 0.00 C ATOM 48 C LEU A 3 -1.634 3.995 -12.823 1.00 0.00 C ATOM 49 O LEU A 3 -1.873 4.962 -12.145 1.00 0.00 O ATOM 50 CB LEU A 3 0.117 4.354 -14.579 1.00 0.00 C ATOM 51 CG LEU A 3 -0.060 5.876 -14.466 1.00 0.00 C ATOM 52 CD1 LEU A 3 0.882 6.441 -13.392 1.00 0.00 C ATOM 53 CD2 LEU A 3 0.266 6.511 -15.822 1.00 0.00 C ATOM 0 H LEU A 3 0.251 1.893 -14.323 1.00 0.00 H new ATOM 0 HA LEU A 3 0.477 4.038 -12.476 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.140 4.123 -14.876 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.537 3.964 -15.359 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.088 6.104 -14.183 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.747 7.520 -13.321 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.653 5.983 -12.430 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.915 6.221 -13.662 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.144 7.592 -15.756 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.295 6.278 -16.095 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.409 6.115 -16.581 1.00 0.00 H new ATOM 65 N GLU A 4 -2.589 3.214 -13.229 1.00 0.00 N ATOM 66 CA GLU A 4 -4.002 3.511 -12.841 1.00 0.00 C ATOM 67 C GLU A 4 -4.149 3.500 -11.321 1.00 0.00 C ATOM 68 O GLU A 4 -4.858 4.305 -10.750 1.00 0.00 O ATOM 69 CB GLU A 4 -4.921 2.428 -13.417 1.00 0.00 C ATOM 70 CG GLU A 4 -5.052 2.584 -14.930 1.00 0.00 C ATOM 71 CD GLU A 4 -5.973 1.482 -15.459 1.00 0.00 C ATOM 72 OE1 GLU A 4 -6.251 0.561 -14.709 1.00 0.00 O ATOM 73 OE2 GLU A 4 -6.378 1.572 -16.603 1.00 0.00 O ATOM 0 H GLU A 4 -2.460 2.386 -13.810 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.270 4.494 -13.229 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.522 1.441 -13.181 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.905 2.494 -12.953 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.458 3.566 -15.175 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.072 2.517 -15.403 1.00 0.00 H new ATOM 80 N LYS A 5 -3.507 2.583 -10.664 1.00 0.00 N ATOM 81 CA LYS A 5 -3.634 2.506 -9.180 1.00 0.00 C ATOM 82 C LYS A 5 -2.899 3.672 -8.525 1.00 0.00 C ATOM 83 O LYS A 5 -3.353 4.220 -7.544 1.00 0.00 O ATOM 84 CB LYS A 5 -3.070 1.166 -8.672 1.00 0.00 C ATOM 85 CG LYS A 5 -4.138 0.059 -8.779 1.00 0.00 C ATOM 86 CD LYS A 5 -4.493 -0.226 -10.248 1.00 0.00 C ATOM 87 CE LYS A 5 -3.250 -0.677 -11.027 1.00 0.00 C ATOM 88 NZ LYS A 5 -3.670 -1.531 -12.173 1.00 0.00 N ATOM 0 H LYS A 5 -2.899 1.881 -11.086 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.689 2.568 -8.913 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.191 0.890 -9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.747 1.269 -7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.771 -0.852 -8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.034 0.360 -8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.261 -0.998 -10.299 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.911 0.670 -10.707 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.698 0.191 -11.388 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.578 -1.232 -10.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.830 -1.838 -12.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.179 -2.365 -11.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.295 -0.987 -12.801 1.00 0.00 H new ATOM 102 N ALA A 6 -1.757 4.035 -9.027 1.00 0.00 N ATOM 103 CA ALA A 6 -1.001 5.149 -8.385 1.00 0.00 C ATOM 104 C ALA A 6 -1.730 6.484 -8.556 1.00 0.00 C ATOM 105 O ALA A 6 -1.786 7.285 -7.648 1.00 0.00 O ATOM 106 CB ALA A 6 0.391 5.247 -9.010 1.00 0.00 C ATOM 0 H ALA A 6 -1.314 3.616 -9.845 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.919 4.937 -7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.944 6.061 -8.541 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.926 4.310 -8.856 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.297 5.440 -10.079 1.00 0.00 H new ATOM 112 N MET A 7 -2.274 6.735 -9.708 1.00 0.00 N ATOM 113 CA MET A 7 -2.985 8.024 -9.939 1.00 0.00 C ATOM 114 C MET A 7 -4.180 8.134 -9.000 1.00 0.00 C ATOM 115 O MET A 7 -4.472 9.182 -8.449 1.00 0.00 O ATOM 116 CB MET A 7 -3.484 8.064 -11.385 1.00 0.00 C ATOM 117 CG MET A 7 -2.300 8.203 -12.342 1.00 0.00 C ATOM 118 SD MET A 7 -2.924 8.416 -14.030 1.00 0.00 S ATOM 119 CE MET A 7 -1.642 9.551 -14.619 1.00 0.00 C ATOM 0 H MET A 7 -2.259 6.101 -10.507 1.00 0.00 H new ATOM 0 HA MET A 7 -2.301 8.852 -9.751 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.041 7.155 -11.612 1.00 0.00 H new ATOM 0 HB3 MET A 7 -4.171 8.900 -11.519 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.685 9.057 -12.058 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.664 7.319 -12.285 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.642 9.566 -15.709 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.843 10.554 -14.243 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.668 9.218 -14.261 1.00 0.00 H new ATOM 129 N VAL A 8 -4.865 7.054 -8.810 1.00 0.00 N ATOM 130 CA VAL A 8 -6.046 7.067 -7.910 1.00 0.00 C ATOM 131 C VAL A 8 -5.572 7.319 -6.480 1.00 0.00 C ATOM 132 O VAL A 8 -6.218 7.991 -5.702 1.00 0.00 O ATOM 133 CB VAL A 8 -6.764 5.717 -8.002 1.00 0.00 C ATOM 134 CG1 VAL A 8 -7.843 5.626 -6.920 1.00 0.00 C ATOM 135 CG2 VAL A 8 -7.413 5.582 -9.383 1.00 0.00 C ATOM 0 H VAL A 8 -4.659 6.153 -9.241 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.739 7.856 -8.204 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.042 4.914 -7.855 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.350 4.663 -6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.382 5.721 -5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.567 6.428 -7.060 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.925 4.622 -9.452 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.132 6.388 -9.527 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.644 5.639 -10.154 1.00 0.00 H new ATOM 145 N ALA A 9 -4.454 6.753 -6.136 1.00 0.00 N ATOM 146 CA ALA A 9 -3.905 6.904 -4.757 1.00 0.00 C ATOM 147 C ALA A 9 -3.540 8.359 -4.449 1.00 0.00 C ATOM 148 O ALA A 9 -3.748 8.825 -3.351 1.00 0.00 O ATOM 149 CB ALA A 9 -2.661 6.040 -4.614 1.00 0.00 C ATOM 0 H ALA A 9 -3.885 6.181 -6.760 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.675 6.589 -4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.257 6.148 -3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.921 4.996 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.913 6.356 -5.341 1.00 0.00 H new ATOM 155 N LEU A 10 -2.983 9.080 -5.383 1.00 0.00 N ATOM 156 CA LEU A 10 -2.608 10.494 -5.076 1.00 0.00 C ATOM 157 C LEU A 10 -3.874 11.246 -4.685 1.00 0.00 C ATOM 158 O LEU A 10 -3.881 12.059 -3.783 1.00 0.00 O ATOM 159 CB LEU A 10 -1.981 11.165 -6.318 1.00 0.00 C ATOM 160 CG LEU A 10 -0.461 10.964 -6.342 1.00 0.00 C ATOM 161 CD1 LEU A 10 -0.139 9.508 -6.672 1.00 0.00 C ATOM 162 CD2 LEU A 10 0.147 11.881 -7.407 1.00 0.00 C ATOM 0 H LEU A 10 -2.773 8.762 -6.329 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.880 10.513 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.421 10.747 -7.223 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.211 12.231 -6.315 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.043 11.208 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.942 9.369 -6.688 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.577 8.858 -5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.552 9.256 -7.649 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.228 11.744 -7.431 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.272 11.633 -8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.082 12.919 -7.167 1.00 0.00 H new ATOM 174 N ILE A 11 -4.942 10.977 -5.365 1.00 0.00 N ATOM 175 CA ILE A 11 -6.218 11.667 -5.055 1.00 0.00 C ATOM 176 C ILE A 11 -6.753 11.244 -3.675 1.00 0.00 C ATOM 177 O ILE A 11 -7.323 12.043 -2.960 1.00 0.00 O ATOM 178 CB ILE A 11 -7.231 11.355 -6.162 1.00 0.00 C ATOM 179 CG1 ILE A 11 -6.787 12.076 -7.444 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.625 11.836 -5.750 1.00 0.00 C ATOM 181 CD1 ILE A 11 -7.555 11.533 -8.650 1.00 0.00 C ATOM 0 H ILE A 11 -4.989 10.303 -6.129 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.049 12.743 -5.015 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.274 10.279 -6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.961 13.148 -7.346 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.716 11.939 -7.594 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.337 11.610 -6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.929 11.329 -4.834 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.603 12.912 -5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.231 12.052 -9.552 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.359 10.466 -8.756 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.623 11.693 -8.503 1.00 0.00 H new ATOM 193 N ASP A 12 -6.611 9.998 -3.303 1.00 0.00 N ATOM 194 CA ASP A 12 -7.157 9.555 -1.980 1.00 0.00 C ATOM 195 C ASP A 12 -6.404 10.201 -0.806 1.00 0.00 C ATOM 196 O ASP A 12 -6.994 10.574 0.191 1.00 0.00 O ATOM 197 CB ASP A 12 -7.016 8.036 -1.874 1.00 0.00 C ATOM 198 CG ASP A 12 -7.990 7.364 -2.843 1.00 0.00 C ATOM 199 OD1 ASP A 12 -9.034 7.942 -3.099 1.00 0.00 O ATOM 200 OD2 ASP A 12 -7.678 6.281 -3.313 1.00 0.00 O ATOM 0 H ASP A 12 -6.146 9.273 -3.850 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.202 9.861 -1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.993 7.738 -2.105 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.220 7.712 -0.854 1.00 0.00 H new ATOM 205 N VAL A 13 -5.110 10.309 -0.898 1.00 0.00 N ATOM 206 CA VAL A 13 -4.323 10.895 0.229 1.00 0.00 C ATOM 207 C VAL A 13 -4.567 12.414 0.313 1.00 0.00 C ATOM 208 O VAL A 13 -4.705 12.981 1.390 1.00 0.00 O ATOM 209 CB VAL A 13 -2.819 10.542 -0.001 1.00 0.00 C ATOM 210 CG1 VAL A 13 -1.997 11.762 -0.449 1.00 0.00 C ATOM 211 CG2 VAL A 13 -2.198 9.960 1.280 1.00 0.00 C ATOM 0 H VAL A 13 -4.559 10.017 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.637 10.479 1.186 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.790 9.800 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.958 11.467 -0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.400 12.149 -1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.049 12.537 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.150 9.720 1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.270 10.692 2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.734 9.054 1.565 1.00 0.00 H new ATOM 221 N PHE A 14 -4.625 13.073 -0.809 1.00 0.00 N ATOM 222 CA PHE A 14 -4.856 14.542 -0.793 1.00 0.00 C ATOM 223 C PHE A 14 -6.190 14.849 -0.121 1.00 0.00 C ATOM 224 O PHE A 14 -6.306 15.799 0.607 1.00 0.00 O ATOM 225 CB PHE A 14 -4.861 15.090 -2.226 1.00 0.00 C ATOM 226 CG PHE A 14 -5.268 16.549 -2.210 1.00 0.00 C ATOM 227 CD1 PHE A 14 -4.347 17.534 -1.837 1.00 0.00 C ATOM 228 CD2 PHE A 14 -6.576 16.915 -2.559 1.00 0.00 C ATOM 229 CE1 PHE A 14 -4.732 18.879 -1.817 1.00 0.00 C ATOM 230 CE2 PHE A 14 -6.959 18.260 -2.537 1.00 0.00 C ATOM 231 CZ PHE A 14 -6.037 19.242 -2.166 1.00 0.00 C ATOM 0 H PHE A 14 -4.523 12.658 -1.735 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.052 15.019 -0.232 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.872 14.983 -2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.552 14.516 -2.843 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.339 17.256 -1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.289 16.156 -2.845 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.020 19.639 -1.531 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.967 18.539 -2.807 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.332 20.281 -2.149 1.00 0.00 H new ATOM 241 N HIS A 15 -7.202 14.071 -0.369 1.00 0.00 N ATOM 242 CA HIS A 15 -8.521 14.360 0.262 1.00 0.00 C ATOM 243 C HIS A 15 -8.431 14.225 1.782 1.00 0.00 C ATOM 244 O HIS A 15 -9.163 14.866 2.508 1.00 0.00 O ATOM 245 CB HIS A 15 -9.579 13.395 -0.273 1.00 0.00 C ATOM 246 CG HIS A 15 -9.893 13.741 -1.700 1.00 0.00 C ATOM 247 ND1 HIS A 15 -10.177 15.040 -2.098 1.00 0.00 N ATOM 248 CD2 HIS A 15 -9.979 12.973 -2.834 1.00 0.00 C ATOM 249 CE1 HIS A 15 -10.419 15.015 -3.421 1.00 0.00 C ATOM 250 NE2 HIS A 15 -10.311 13.780 -3.915 1.00 0.00 N ATOM 0 H HIS A 15 -7.177 13.252 -0.977 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.803 15.383 0.014 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -9.218 12.369 -0.207 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -10.482 13.455 0.334 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -10.198 15.864 -1.497 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -9.814 11.907 -2.879 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.669 15.885 -4.010 1.00 0.00 H new ATOM 259 N GLN A 16 -7.558 13.399 2.278 1.00 0.00 N ATOM 260 CA GLN A 16 -7.462 13.249 3.755 1.00 0.00 C ATOM 261 C GLN A 16 -7.111 14.591 4.402 1.00 0.00 C ATOM 262 O GLN A 16 -7.650 14.948 5.431 1.00 0.00 O ATOM 263 CB GLN A 16 -6.381 12.222 4.101 1.00 0.00 C ATOM 264 CG GLN A 16 -6.854 10.821 3.708 1.00 0.00 C ATOM 265 CD GLN A 16 -7.980 10.384 4.648 1.00 0.00 C ATOM 266 OE1 GLN A 16 -7.820 10.400 5.853 1.00 0.00 O ATOM 267 NE2 GLN A 16 -9.120 9.993 4.149 1.00 0.00 N ATOM 0 H GLN A 16 -6.913 12.827 1.733 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.425 12.910 4.136 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.456 12.464 3.578 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.162 12.256 5.168 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.205 10.820 2.676 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.025 10.116 3.763 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.256 9.979 3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.875 9.701 4.770 1.00 0.00 H new ATOM 276 N TYR A 17 -6.194 15.332 3.832 1.00 0.00 N ATOM 277 CA TYR A 17 -5.804 16.641 4.459 1.00 0.00 C ATOM 278 C TYR A 17 -6.668 17.812 3.964 1.00 0.00 C ATOM 279 O TYR A 17 -7.025 18.689 4.726 1.00 0.00 O ATOM 280 CB TYR A 17 -4.335 16.916 4.125 1.00 0.00 C ATOM 281 CG TYR A 17 -3.467 16.091 5.035 1.00 0.00 C ATOM 282 CD1 TYR A 17 -3.131 14.781 4.687 1.00 0.00 C ATOM 283 CD2 TYR A 17 -3.014 16.640 6.235 1.00 0.00 C ATOM 284 CE1 TYR A 17 -2.338 14.015 5.544 1.00 0.00 C ATOM 285 CE2 TYR A 17 -2.218 15.881 7.095 1.00 0.00 C ATOM 286 CZ TYR A 17 -1.878 14.564 6.749 1.00 0.00 C ATOM 287 OH TYR A 17 -1.099 13.804 7.596 1.00 0.00 O ATOM 0 H TYR A 17 -5.702 15.095 2.971 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.959 16.562 5.535 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.132 16.668 3.083 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.112 17.976 4.249 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.484 14.361 3.757 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.279 17.653 6.499 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.079 13.001 5.279 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.865 16.306 8.023 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.767 13.017 7.116 1.00 0.00 H new ATOM 297 N SER A 18 -6.976 17.859 2.705 1.00 0.00 N ATOM 298 CA SER A 18 -7.778 19.003 2.175 1.00 0.00 C ATOM 299 C SER A 18 -9.136 19.071 2.874 1.00 0.00 C ATOM 300 O SER A 18 -9.631 20.135 3.188 1.00 0.00 O ATOM 301 CB SER A 18 -7.987 18.825 0.670 1.00 0.00 C ATOM 302 OG SER A 18 -8.915 17.773 0.441 1.00 0.00 O ATOM 0 H SER A 18 -6.710 17.158 2.014 1.00 0.00 H new ATOM 0 HA SER A 18 -7.238 19.930 2.365 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.356 19.752 0.231 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.038 18.599 0.185 1.00 0.00 H new ATOM 0 HG SER A 18 -9.050 17.660 -0.523 1.00 0.00 H new ATOM 308 N GLY A 19 -9.744 17.946 3.113 1.00 0.00 N ATOM 309 CA GLY A 19 -11.078 17.943 3.784 1.00 0.00 C ATOM 310 C GLY A 19 -10.910 18.056 5.299 1.00 0.00 C ATOM 311 O GLY A 19 -11.864 18.259 6.023 1.00 0.00 O ATOM 0 H GLY A 19 -9.377 17.025 2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.680 18.773 3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.614 17.026 3.538 1.00 0.00 H new ATOM 315 N ARG A 20 -9.711 17.919 5.790 1.00 0.00 N ATOM 316 CA ARG A 20 -9.503 18.013 7.261 1.00 0.00 C ATOM 317 C ARG A 20 -9.951 19.386 7.763 1.00 0.00 C ATOM 318 O ARG A 20 -10.679 19.498 8.730 1.00 0.00 O ATOM 319 CB ARG A 20 -8.023 17.812 7.579 1.00 0.00 C ATOM 320 CG ARG A 20 -7.823 17.833 9.094 1.00 0.00 C ATOM 321 CD ARG A 20 -6.348 17.626 9.415 1.00 0.00 C ATOM 322 NE ARG A 20 -6.170 17.561 10.891 1.00 0.00 N ATOM 323 CZ ARG A 20 -5.085 17.046 11.397 1.00 0.00 C ATOM 324 NH1 ARG A 20 -4.158 16.571 10.610 1.00 0.00 N ATOM 325 NH2 ARG A 20 -4.931 16.997 12.692 1.00 0.00 N ATOM 0 H ARG A 20 -8.870 17.747 5.240 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.092 17.241 7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.677 16.864 7.168 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.429 18.597 7.112 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.165 18.783 9.503 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.421 17.051 9.561 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.989 16.706 8.953 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.756 18.442 9.001 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.899 17.920 11.508 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.283 16.603 9.598 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.309 16.168 11.007 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.659 17.361 13.306 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.082 16.594 13.090 1.00 0.00 H new ATOM 339 N GLU A 21 -9.516 20.434 7.118 1.00 0.00 N ATOM 340 CA GLU A 21 -9.910 21.802 7.565 1.00 0.00 C ATOM 341 C GLU A 21 -11.253 22.167 6.934 1.00 0.00 C ATOM 342 O GLU A 21 -12.271 22.190 7.596 1.00 0.00 O ATOM 343 CB GLU A 21 -8.843 22.814 7.132 1.00 0.00 C ATOM 344 CG GLU A 21 -9.220 24.212 7.639 1.00 0.00 C ATOM 345 CD GLU A 21 -8.154 25.220 7.206 1.00 0.00 C ATOM 346 OE1 GLU A 21 -7.123 24.790 6.719 1.00 0.00 O ATOM 347 OE2 GLU A 21 -8.390 26.406 7.366 1.00 0.00 O ATOM 0 H GLU A 21 -8.905 20.403 6.302 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.999 21.821 8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.870 22.523 7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.755 22.822 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.193 24.503 7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.308 24.204 8.725 1.00 0.00 H new ATOM 354 N GLY A 22 -11.272 22.453 5.661 1.00 0.00 N ATOM 355 CA GLY A 22 -12.563 22.811 5.014 1.00 0.00 C ATOM 356 C GLY A 22 -12.349 23.131 3.534 1.00 0.00 C ATOM 357 O GLY A 22 -13.259 23.025 2.737 1.00 0.00 O ATOM 0 H GLY A 22 -10.457 22.454 5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.269 21.986 5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -13.003 23.671 5.518 1.00 0.00 H new ATOM 361 N ASP A 23 -11.165 23.529 3.149 1.00 0.00 N ATOM 362 CA ASP A 23 -10.936 23.857 1.715 1.00 0.00 C ATOM 363 C ASP A 23 -10.707 22.566 0.924 1.00 0.00 C ATOM 364 O ASP A 23 -9.588 22.155 0.689 1.00 0.00 O ATOM 365 CB ASP A 23 -9.715 24.766 1.599 1.00 0.00 C ATOM 366 CG ASP A 23 -10.054 26.143 2.173 1.00 0.00 C ATOM 367 OD1 ASP A 23 -11.232 26.445 2.279 1.00 0.00 O ATOM 368 OD2 ASP A 23 -9.132 26.869 2.505 1.00 0.00 O ATOM 0 H ASP A 23 -10.356 23.640 3.760 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.808 24.370 1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.872 24.332 2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.414 24.858 0.556 1.00 0.00 H new ATOM 373 N LYS A 24 -11.770 21.927 0.515 1.00 0.00 N ATOM 374 CA LYS A 24 -11.644 20.660 -0.261 1.00 0.00 C ATOM 375 C LYS A 24 -11.092 20.953 -1.660 1.00 0.00 C ATOM 376 O LYS A 24 -10.304 20.199 -2.196 1.00 0.00 O ATOM 377 CB LYS A 24 -13.023 20.006 -0.393 1.00 0.00 C ATOM 378 CG LYS A 24 -13.472 19.472 0.970 1.00 0.00 C ATOM 379 CD LYS A 24 -14.786 18.693 0.822 1.00 0.00 C ATOM 380 CE LYS A 24 -15.912 19.633 0.378 1.00 0.00 C ATOM 381 NZ LYS A 24 -17.228 19.008 0.689 1.00 0.00 N ATOM 0 H LYS A 24 -12.728 22.231 0.687 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.962 19.989 0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.746 20.731 -0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.983 19.193 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.701 18.825 1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.606 20.299 1.667 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.662 17.892 0.093 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.047 18.223 1.770 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.823 20.592 0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.835 19.832 -0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.994 19.644 0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.311 18.103 0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.299 18.840 1.713 1.00 0.00 H new ATOM 395 N HIS A 25 -11.519 22.030 -2.266 1.00 0.00 N ATOM 396 CA HIS A 25 -11.042 22.358 -3.645 1.00 0.00 C ATOM 397 C HIS A 25 -9.757 23.188 -3.590 1.00 0.00 C ATOM 398 O HIS A 25 -9.207 23.552 -4.611 1.00 0.00 O ATOM 399 CB HIS A 25 -12.119 23.167 -4.369 1.00 0.00 C ATOM 400 CG HIS A 25 -13.312 22.295 -4.643 1.00 0.00 C ATOM 401 ND1 HIS A 25 -14.292 22.062 -3.688 1.00 0.00 N ATOM 402 CD2 HIS A 25 -13.706 21.601 -5.762 1.00 0.00 C ATOM 403 CE1 HIS A 25 -15.219 21.260 -4.245 1.00 0.00 C ATOM 404 NE2 HIS A 25 -14.907 20.952 -5.505 1.00 0.00 N ATOM 0 H HIS A 25 -12.178 22.698 -1.866 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.841 21.427 -4.175 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -12.414 24.023 -3.762 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.723 23.562 -5.305 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -13.166 21.566 -6.696 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -16.105 20.910 -3.735 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -15.439 20.363 -6.146 1.00 0.00 H new ATOM 413 N LYS A 26 -9.268 23.501 -2.419 1.00 0.00 N ATOM 414 CA LYS A 26 -8.017 24.314 -2.335 1.00 0.00 C ATOM 415 C LYS A 26 -7.222 23.923 -1.091 1.00 0.00 C ATOM 416 O LYS A 26 -7.753 23.409 -0.128 1.00 0.00 O ATOM 417 CB LYS A 26 -8.372 25.800 -2.288 1.00 0.00 C ATOM 418 CG LYS A 26 -7.086 26.629 -2.220 1.00 0.00 C ATOM 419 CD LYS A 26 -7.395 28.083 -2.581 1.00 0.00 C ATOM 420 CE LYS A 26 -8.409 28.662 -1.590 1.00 0.00 C ATOM 421 NZ LYS A 26 -8.052 28.250 -0.202 1.00 0.00 N ATOM 0 H LYS A 26 -9.676 23.232 -1.524 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.404 24.122 -3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.949 26.075 -3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.998 26.008 -1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.659 26.575 -1.219 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.343 26.223 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.479 28.674 -2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.792 28.139 -3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.423 29.749 -1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.412 28.313 -1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.692 28.714 0.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.143 27.218 -0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.072 28.530 0.002 1.00 0.00 H new ATOM 435 N LEU A 27 -5.937 24.149 -1.131 1.00 0.00 N ATOM 436 CA LEU A 27 -5.043 23.791 0.014 1.00 0.00 C ATOM 437 C LEU A 27 -4.276 25.047 0.454 1.00 0.00 C ATOM 438 O LEU A 27 -3.808 25.805 -0.368 1.00 0.00 O ATOM 439 CB LEU A 27 -4.064 22.717 -0.477 1.00 0.00 C ATOM 440 CG LEU A 27 -3.358 22.034 0.707 1.00 0.00 C ATOM 441 CD1 LEU A 27 -4.286 20.988 1.355 1.00 0.00 C ATOM 442 CD2 LEU A 27 -2.080 21.340 0.205 1.00 0.00 C ATOM 0 H LEU A 27 -5.457 24.575 -1.924 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.615 23.413 0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.600 21.972 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.323 23.169 -1.136 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.104 22.789 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.772 20.514 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.190 21.478 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.553 20.232 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.577 20.855 1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.342 20.593 -0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.414 22.080 -0.239 1.00 0.00 H new ATOM 454 N LYS A 28 -4.161 25.289 1.741 1.00 0.00 N ATOM 455 CA LYS A 28 -3.441 26.512 2.229 1.00 0.00 C ATOM 456 C LYS A 28 -2.077 26.127 2.819 1.00 0.00 C ATOM 457 O LYS A 28 -1.891 25.026 3.299 1.00 0.00 O ATOM 458 CB LYS A 28 -4.298 27.169 3.312 1.00 0.00 C ATOM 459 CG LYS A 28 -3.680 28.502 3.729 1.00 0.00 C ATOM 460 CD LYS A 28 -4.553 29.149 4.806 1.00 0.00 C ATOM 461 CE LYS A 28 -3.939 30.483 5.227 1.00 0.00 C ATOM 462 NZ LYS A 28 -3.789 31.357 4.029 1.00 0.00 N ATOM 0 H LYS A 28 -4.536 24.690 2.476 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.277 27.200 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.310 27.328 2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.376 26.509 4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.670 28.345 4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.597 29.163 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.562 29.305 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.636 28.487 5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.572 30.969 5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.968 30.318 5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.988 32.343 4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.817 31.285 3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.457 31.054 3.292 1.00 0.00 H new ATOM 476 N LYS A 29 -1.119 27.029 2.797 1.00 0.00 N ATOM 477 CA LYS A 29 0.223 26.716 3.367 1.00 0.00 C ATOM 478 C LYS A 29 0.034 26.063 4.731 1.00 0.00 C ATOM 479 O LYS A 29 0.887 25.354 5.224 1.00 0.00 O ATOM 480 CB LYS A 29 1.036 28.016 3.526 1.00 0.00 C ATOM 481 CG LYS A 29 0.498 28.879 4.701 1.00 0.00 C ATOM 482 CD LYS A 29 1.372 28.689 5.952 1.00 0.00 C ATOM 483 CE LYS A 29 0.659 29.275 7.173 1.00 0.00 C ATOM 484 NZ LYS A 29 1.639 29.449 8.283 1.00 0.00 N ATOM 0 H LYS A 29 -1.215 27.967 2.407 1.00 0.00 H new ATOM 0 HA LYS A 29 0.760 26.040 2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.084 27.773 3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.992 28.590 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.488 29.930 4.413 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.532 28.600 4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.573 27.629 6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.336 29.178 5.812 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.207 30.234 6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.150 28.615 7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.321 28.911 9.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.571 29.101 7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.709 30.457 8.529 1.00 0.00 H new ATOM 498 N SER A 30 -1.088 26.310 5.339 1.00 0.00 N ATOM 499 CA SER A 30 -1.359 25.714 6.679 1.00 0.00 C ATOM 500 C SER A 30 -1.738 24.247 6.507 1.00 0.00 C ATOM 501 O SER A 30 -1.212 23.375 7.169 1.00 0.00 O ATOM 502 CB SER A 30 -2.507 26.465 7.355 1.00 0.00 C ATOM 503 OG SER A 30 -3.699 26.276 6.602 1.00 0.00 O ATOM 0 H SER A 30 -1.833 26.900 4.968 1.00 0.00 H new ATOM 0 HA SER A 30 -0.467 25.792 7.300 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.645 26.102 8.373 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.271 27.527 7.424 1.00 0.00 H new ATOM 0 HG SER A 30 -4.438 26.755 7.033 1.00 0.00 H new ATOM 509 N GLU A 31 -2.635 23.967 5.607 1.00 0.00 N ATOM 510 CA GLU A 31 -3.034 22.557 5.375 1.00 0.00 C ATOM 511 C GLU A 31 -1.847 21.823 4.758 1.00 0.00 C ATOM 512 O GLU A 31 -1.609 20.666 5.024 1.00 0.00 O ATOM 513 CB GLU A 31 -4.223 22.508 4.417 1.00 0.00 C ATOM 514 CG GLU A 31 -5.467 23.051 5.117 1.00 0.00 C ATOM 515 CD GLU A 31 -6.622 23.132 4.116 1.00 0.00 C ATOM 516 OE1 GLU A 31 -6.686 24.113 3.394 1.00 0.00 O ATOM 517 OE2 GLU A 31 -7.421 22.210 4.088 1.00 0.00 O ATOM 0 H GLU A 31 -3.109 24.655 5.022 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.323 22.087 6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.009 23.097 3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.396 21.483 4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.739 22.404 5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.262 24.038 5.532 1.00 0.00 H new ATOM 524 N LEU A 32 -1.105 22.503 3.928 1.00 0.00 N ATOM 525 CA LEU A 32 0.076 21.875 3.275 1.00 0.00 C ATOM 526 C LEU A 32 1.070 21.411 4.335 1.00 0.00 C ATOM 527 O LEU A 32 1.623 20.347 4.238 1.00 0.00 O ATOM 528 CB LEU A 32 0.757 22.900 2.361 1.00 0.00 C ATOM 529 CG LEU A 32 2.035 22.311 1.740 1.00 0.00 C ATOM 530 CD1 LEU A 32 1.726 20.991 1.021 1.00 0.00 C ATOM 531 CD2 LEU A 32 2.605 23.319 0.738 1.00 0.00 C ATOM 0 H LEU A 32 -1.269 23.477 3.672 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.254 21.017 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.070 23.204 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.003 23.796 2.931 1.00 0.00 H new ATOM 0 HG LEU A 32 2.760 22.112 2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.642 20.589 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.318 20.275 1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.998 21.170 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.512 22.913 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.869 23.511 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.840 24.251 1.253 1.00 0.00 H new ATOM 543 N LYS A 33 1.321 22.213 5.331 1.00 0.00 N ATOM 544 CA LYS A 33 2.303 21.810 6.382 1.00 0.00 C ATOM 545 C LYS A 33 1.838 20.546 7.106 1.00 0.00 C ATOM 546 O LYS A 33 2.632 19.688 7.439 1.00 0.00 O ATOM 547 CB LYS A 33 2.466 22.939 7.403 1.00 0.00 C ATOM 548 CG LYS A 33 3.523 22.541 8.440 1.00 0.00 C ATOM 549 CD LYS A 33 3.705 23.670 9.449 1.00 0.00 C ATOM 550 CE LYS A 33 4.796 23.279 10.447 1.00 0.00 C ATOM 551 NZ LYS A 33 4.325 22.125 11.265 1.00 0.00 N ATOM 0 H LYS A 33 0.891 23.128 5.465 1.00 0.00 H new ATOM 0 HA LYS A 33 3.257 21.608 5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.763 23.859 6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.514 23.138 7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.218 21.628 8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.470 22.327 7.944 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.978 24.592 8.936 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.768 23.861 9.972 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.711 23.015 9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.034 24.124 11.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.906 22.048 12.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.330 22.271 11.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.410 21.249 10.711 1.00 0.00 H new ATOM 565 N GLU A 34 0.573 20.432 7.386 1.00 0.00 N ATOM 566 CA GLU A 34 0.092 19.238 8.121 1.00 0.00 C ATOM 567 C GLU A 34 0.226 18.020 7.218 1.00 0.00 C ATOM 568 O GLU A 34 0.498 16.934 7.661 1.00 0.00 O ATOM 569 CB GLU A 34 -1.369 19.449 8.551 1.00 0.00 C ATOM 570 CG GLU A 34 -1.666 18.632 9.820 1.00 0.00 C ATOM 571 CD GLU A 34 -1.144 19.382 11.050 1.00 0.00 C ATOM 572 OE1 GLU A 34 -0.309 20.255 10.877 1.00 0.00 O ATOM 573 OE2 GLU A 34 -1.588 19.070 12.142 1.00 0.00 O ATOM 0 H GLU A 34 -0.145 21.112 7.138 1.00 0.00 H new ATOM 0 HA GLU A 34 0.689 19.080 9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.553 20.507 8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.041 19.146 7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.739 18.463 9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.194 17.652 9.752 1.00 0.00 H new ATOM 580 N LEU A 35 0.047 18.198 5.950 1.00 0.00 N ATOM 581 CA LEU A 35 0.196 17.057 5.018 1.00 0.00 C ATOM 582 C LEU A 35 1.654 16.604 5.016 1.00 0.00 C ATOM 583 O LEU A 35 1.957 15.452 5.187 1.00 0.00 O ATOM 584 CB LEU A 35 -0.211 17.519 3.614 1.00 0.00 C ATOM 585 CG LEU A 35 0.160 16.447 2.553 1.00 0.00 C ATOM 586 CD1 LEU A 35 -0.935 16.372 1.482 1.00 0.00 C ATOM 587 CD2 LEU A 35 1.496 16.797 1.871 1.00 0.00 C ATOM 0 H LEU A 35 -0.197 19.087 5.514 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.436 16.225 5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.284 17.710 3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.286 18.460 3.377 1.00 0.00 H new ATOM 0 HG LEU A 35 0.255 15.487 3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.668 15.618 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.883 16.103 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.034 17.342 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.738 16.034 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.410 17.766 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.287 16.840 2.620 1.00 0.00 H new ATOM 599 N ILE A 36 2.557 17.513 4.811 1.00 0.00 N ATOM 600 CA ILE A 36 4.002 17.151 4.763 1.00 0.00 C ATOM 601 C ILE A 36 4.528 16.752 6.143 1.00 0.00 C ATOM 602 O ILE A 36 5.291 15.816 6.279 1.00 0.00 O ATOM 603 CB ILE A 36 4.788 18.364 4.263 1.00 0.00 C ATOM 604 CG1 ILE A 36 4.335 18.721 2.843 1.00 0.00 C ATOM 605 CG2 ILE A 36 6.281 18.039 4.257 1.00 0.00 C ATOM 606 CD1 ILE A 36 4.932 20.071 2.436 1.00 0.00 C ATOM 0 H ILE A 36 2.358 18.504 4.673 1.00 0.00 H new ATOM 0 HA ILE A 36 4.125 16.298 4.095 1.00 0.00 H new ATOM 0 HB ILE A 36 4.604 19.211 4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.652 17.947 2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.247 18.765 2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.840 18.904 3.901 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.603 17.790 5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.466 17.191 3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.608 20.322 1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.593 20.842 3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.020 20.011 2.464 1.00 0.00 H new ATOM 618 N ASN A 37 4.162 17.473 7.160 1.00 0.00 N ATOM 619 CA ASN A 37 4.677 17.160 8.524 1.00 0.00 C ATOM 620 C ASN A 37 4.095 15.857 9.076 1.00 0.00 C ATOM 621 O ASN A 37 4.770 15.105 9.752 1.00 0.00 O ATOM 622 CB ASN A 37 4.314 18.306 9.469 1.00 0.00 C ATOM 623 CG ASN A 37 5.040 18.119 10.802 1.00 0.00 C ATOM 624 OD1 ASN A 37 6.240 18.609 10.951 1.00 0.00 O flip ATOM 625 ND2 ASN A 37 4.510 17.522 11.717 1.00 0.00 N flip ATOM 0 H ASN A 37 3.526 18.269 7.109 1.00 0.00 H new ATOM 0 HA ASN A 37 5.758 17.039 8.452 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.591 19.261 9.023 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.236 18.331 9.630 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.572 17.139 11.600 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.003 17.404 12.602 1.00 0.00 H new ATOM 632 N ASN A 38 2.838 15.617 8.850 1.00 0.00 N ATOM 633 CA ASN A 38 2.183 14.393 9.424 1.00 0.00 C ATOM 634 C ASN A 38 2.097 13.248 8.415 1.00 0.00 C ATOM 635 O ASN A 38 2.289 12.100 8.767 1.00 0.00 O ATOM 636 CB ASN A 38 0.771 14.759 9.881 1.00 0.00 C ATOM 637 CG ASN A 38 0.859 15.881 10.911 1.00 0.00 C ATOM 638 OD1 ASN A 38 2.019 16.424 11.156 1.00 0.00 O flip ATOM 639 ND2 ASN A 38 -0.135 16.272 11.491 1.00 0.00 N flip ATOM 0 H ASN A 38 2.226 16.212 8.292 1.00 0.00 H new ATOM 0 HA ASN A 38 2.794 14.050 10.259 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.170 15.076 9.029 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.277 13.889 10.313 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -1.040 15.844 11.296 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.064 17.028 12.172 1.00 0.00 H new ATOM 646 N GLU A 39 1.801 13.520 7.177 1.00 0.00 N ATOM 647 CA GLU A 39 1.703 12.392 6.208 1.00 0.00 C ATOM 648 C GLU A 39 3.101 11.845 5.972 1.00 0.00 C ATOM 649 O GLU A 39 3.288 10.665 5.748 1.00 0.00 O ATOM 650 CB GLU A 39 1.111 12.853 4.868 1.00 0.00 C ATOM 651 CG GLU A 39 0.773 11.628 4.021 1.00 0.00 C ATOM 652 CD GLU A 39 0.208 12.088 2.678 1.00 0.00 C ATOM 653 OE1 GLU A 39 -0.209 13.230 2.594 1.00 0.00 O ATOM 654 OE2 GLU A 39 0.197 11.292 1.759 1.00 0.00 O ATOM 0 H GLU A 39 1.626 14.451 6.798 1.00 0.00 H new ATOM 0 HA GLU A 39 1.045 11.628 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.215 13.450 5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.823 13.489 4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.665 11.021 3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.047 11.001 4.539 1.00 0.00 H new ATOM 661 N LEU A 40 4.087 12.711 5.999 1.00 0.00 N ATOM 662 CA LEU A 40 5.498 12.280 5.747 1.00 0.00 C ATOM 663 C LEU A 40 6.369 12.593 6.971 1.00 0.00 C ATOM 664 O LEU A 40 7.491 13.042 6.843 1.00 0.00 O ATOM 665 CB LEU A 40 6.048 13.031 4.512 1.00 0.00 C ATOM 666 CG LEU A 40 4.926 13.348 3.505 1.00 0.00 C ATOM 667 CD1 LEU A 40 5.501 14.192 2.364 1.00 0.00 C ATOM 668 CD2 LEU A 40 4.352 12.054 2.917 1.00 0.00 C ATOM 0 H LEU A 40 3.972 13.707 6.187 1.00 0.00 H new ATOM 0 HA LEU A 40 5.519 11.206 5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.527 13.957 4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.815 12.426 4.027 1.00 0.00 H new ATOM 0 HG LEU A 40 4.134 13.890 4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.712 14.420 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.905 15.121 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.295 13.637 1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.561 12.296 2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.142 11.505 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.944 11.439 3.719 1.00 0.00 H new ATOM 680 N SER A 41 5.867 12.368 8.153 1.00 0.00 N ATOM 681 CA SER A 41 6.678 12.664 9.369 1.00 0.00 C ATOM 682 C SER A 41 7.964 11.828 9.369 1.00 0.00 C ATOM 683 O SER A 41 9.048 12.348 9.547 1.00 0.00 O ATOM 684 CB SER A 41 5.864 12.318 10.615 1.00 0.00 C ATOM 685 OG SER A 41 6.569 12.751 11.770 1.00 0.00 O ATOM 0 H SER A 41 4.935 11.994 8.330 1.00 0.00 H new ATOM 0 HA SER A 41 6.938 13.723 9.369 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.886 12.798 10.570 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.689 11.243 10.663 1.00 0.00 H new ATOM 0 HG SER A 41 6.049 12.532 12.572 1.00 0.00 H new ATOM 691 N HIS A 42 7.850 10.534 9.183 1.00 0.00 N ATOM 692 CA HIS A 42 9.061 9.647 9.186 1.00 0.00 C ATOM 693 C HIS A 42 9.363 9.152 7.769 1.00 0.00 C ATOM 694 O HIS A 42 10.473 8.767 7.462 1.00 0.00 O ATOM 695 CB HIS A 42 8.787 8.441 10.088 1.00 0.00 C ATOM 696 CG HIS A 42 9.996 7.547 10.119 1.00 0.00 C ATOM 697 ND1 HIS A 42 10.052 6.353 9.413 1.00 0.00 N ATOM 698 CD2 HIS A 42 11.200 7.656 10.770 1.00 0.00 C ATOM 699 CE1 HIS A 42 11.254 5.796 9.653 1.00 0.00 C ATOM 700 NE2 HIS A 42 11.989 6.550 10.473 1.00 0.00 N ATOM 0 H HIS A 42 6.966 10.050 9.028 1.00 0.00 H new ATOM 0 HA HIS A 42 9.918 10.212 9.553 1.00 0.00 H new ATOM 0 HB2 HIS A 42 8.545 8.776 11.096 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.923 7.888 9.720 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.489 8.474 11.413 1.00 0.00 H new ATOM 0 HE1 HIS A 42 11.582 4.856 9.234 1.00 0.00 H new ATOM 0 HE2 HIS A 42 12.932 6.356 10.811 1.00 0.00 H new ATOM 709 N PHE A 43 8.386 9.140 6.906 1.00 0.00 N ATOM 710 CA PHE A 43 8.628 8.648 5.519 1.00 0.00 C ATOM 711 C PHE A 43 9.513 9.634 4.744 1.00 0.00 C ATOM 712 O PHE A 43 10.252 9.244 3.862 1.00 0.00 O ATOM 713 CB PHE A 43 7.283 8.451 4.804 1.00 0.00 C ATOM 714 CG PHE A 43 7.480 8.218 3.313 1.00 0.00 C ATOM 715 CD1 PHE A 43 8.465 7.332 2.841 1.00 0.00 C ATOM 716 CD2 PHE A 43 6.663 8.896 2.396 1.00 0.00 C ATOM 717 CE1 PHE A 43 8.628 7.135 1.465 1.00 0.00 C ATOM 718 CE2 PHE A 43 6.828 8.694 1.022 1.00 0.00 C ATOM 719 CZ PHE A 43 7.811 7.815 0.556 1.00 0.00 C ATOM 0 H PHE A 43 7.433 9.448 7.099 1.00 0.00 H new ATOM 0 HA PHE A 43 9.150 7.692 5.565 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.757 7.602 5.241 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.655 9.328 4.958 1.00 0.00 H new ATOM 0 HD1 PHE A 43 9.096 6.804 3.541 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.904 9.576 2.752 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.387 6.456 1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.196 9.217 0.320 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.939 7.661 -0.505 1.00 0.00 H new ATOM 729 N LEU A 44 9.445 10.907 5.059 1.00 0.00 N ATOM 730 CA LEU A 44 10.284 11.916 4.332 1.00 0.00 C ATOM 731 C LEU A 44 10.896 12.886 5.345 1.00 0.00 C ATOM 732 O LEU A 44 11.258 12.506 6.440 1.00 0.00 O ATOM 733 CB LEU A 44 9.407 12.688 3.335 1.00 0.00 C ATOM 734 CG LEU A 44 10.279 13.340 2.236 1.00 0.00 C ATOM 735 CD1 LEU A 44 10.474 12.365 1.069 1.00 0.00 C ATOM 736 CD2 LEU A 44 9.591 14.610 1.715 1.00 0.00 C ATOM 0 H LEU A 44 8.845 11.291 5.788 1.00 0.00 H new ATOM 0 HA LEU A 44 11.082 11.409 3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.683 12.012 2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.839 13.456 3.860 1.00 0.00 H new ATOM 0 HG LEU A 44 11.249 13.593 2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.089 12.835 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.968 11.462 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.504 12.104 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.208 15.067 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.618 14.351 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.458 15.315 2.536 1.00 0.00 H new ATOM 748 N GLU A 45 11.030 14.135 4.983 1.00 0.00 N ATOM 749 CA GLU A 45 11.636 15.127 5.917 1.00 0.00 C ATOM 750 C GLU A 45 10.538 15.865 6.692 1.00 0.00 C ATOM 751 O GLU A 45 9.823 16.683 6.148 1.00 0.00 O ATOM 752 CB GLU A 45 12.452 16.132 5.096 1.00 0.00 C ATOM 753 CG GLU A 45 13.097 17.172 6.017 1.00 0.00 C ATOM 754 CD GLU A 45 13.904 18.162 5.175 1.00 0.00 C ATOM 755 OE1 GLU A 45 14.080 17.900 3.996 1.00 0.00 O ATOM 756 OE2 GLU A 45 14.323 19.170 5.720 1.00 0.00 O ATOM 0 H GLU A 45 10.745 14.511 4.079 1.00 0.00 H new ATOM 0 HA GLU A 45 12.279 14.613 6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.223 15.609 4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.807 16.629 4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.329 17.700 6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.746 16.680 6.742 1.00 0.00 H new ATOM 763 N GLU A 46 10.421 15.603 7.965 1.00 0.00 N ATOM 764 CA GLU A 46 9.394 16.312 8.782 1.00 0.00 C ATOM 765 C GLU A 46 9.785 17.791 8.868 1.00 0.00 C ATOM 766 O GLU A 46 10.950 18.130 8.872 1.00 0.00 O ATOM 767 CB GLU A 46 9.351 15.716 10.194 1.00 0.00 C ATOM 768 CG GLU A 46 8.263 16.412 11.021 1.00 0.00 C ATOM 769 CD GLU A 46 8.242 15.823 12.433 1.00 0.00 C ATOM 770 OE1 GLU A 46 9.028 14.926 12.692 1.00 0.00 O ATOM 771 OE2 GLU A 46 7.443 16.281 13.233 1.00 0.00 O ATOM 0 H GLU A 46 10.992 14.929 8.475 1.00 0.00 H new ATOM 0 HA GLU A 46 8.412 16.203 8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.151 14.646 10.141 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.320 15.835 10.678 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.455 17.484 11.065 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.291 16.281 10.546 1.00 0.00 H new ATOM 778 N ILE A 47 8.826 18.676 8.929 1.00 0.00 N ATOM 779 CA ILE A 47 9.147 20.135 9.009 1.00 0.00 C ATOM 780 C ILE A 47 9.147 20.585 10.467 1.00 0.00 C ATOM 781 O ILE A 47 8.352 20.132 11.267 1.00 0.00 O ATOM 782 CB ILE A 47 8.101 20.929 8.235 1.00 0.00 C ATOM 783 CG1 ILE A 47 7.836 20.199 6.912 1.00 0.00 C ATOM 784 CG2 ILE A 47 8.608 22.377 7.974 1.00 0.00 C ATOM 785 CD1 ILE A 47 6.944 21.063 6.032 1.00 0.00 C ATOM 0 H ILE A 47 7.831 18.453 8.927 1.00 0.00 H new ATOM 0 HA ILE A 47 10.133 20.309 8.578 1.00 0.00 H new ATOM 0 HB ILE A 47 7.178 21.002 8.810 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.777 19.991 6.403 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.358 19.238 7.103 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.851 22.933 7.420 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.799 22.873 8.926 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.529 22.341 7.393 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.753 20.548 5.091 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.999 21.248 6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.440 22.013 5.832 1.00 0.00 H new ATOM 797 N LYS A 48 10.050 21.463 10.817 1.00 0.00 N ATOM 798 CA LYS A 48 10.142 21.951 12.226 1.00 0.00 C ATOM 799 C LYS A 48 9.800 23.445 12.291 1.00 0.00 C ATOM 800 O LYS A 48 9.487 23.967 13.343 1.00 0.00 O ATOM 801 CB LYS A 48 11.578 21.716 12.717 1.00 0.00 C ATOM 802 CG LYS A 48 12.098 20.360 12.172 1.00 0.00 C ATOM 803 CD LYS A 48 12.907 20.570 10.883 1.00 0.00 C ATOM 804 CE LYS A 48 13.505 19.236 10.431 1.00 0.00 C ATOM 805 NZ LYS A 48 14.508 18.774 11.430 1.00 0.00 N ATOM 0 H LYS A 48 10.736 21.868 10.180 1.00 0.00 H new ATOM 0 HA LYS A 48 9.435 21.414 12.858 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.225 22.527 12.382 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.605 21.716 13.807 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.721 19.875 12.924 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.257 19.694 11.976 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.266 20.976 10.101 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.701 21.297 11.054 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.717 18.491 10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.975 19.349 9.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.021 17.952 11.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.181 19.542 11.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.023 18.504 12.310 1.00 0.00 H new ATOM 819 N GLU A 49 9.865 24.140 11.177 1.00 0.00 N ATOM 820 CA GLU A 49 9.553 25.607 11.169 1.00 0.00 C ATOM 821 C GLU A 49 8.557 25.941 10.060 1.00 0.00 C ATOM 822 O GLU A 49 8.542 25.335 9.007 1.00 0.00 O ATOM 823 CB GLU A 49 10.842 26.397 10.944 1.00 0.00 C ATOM 824 CG GLU A 49 11.704 26.310 12.198 1.00 0.00 C ATOM 825 CD GLU A 49 13.098 26.876 11.919 1.00 0.00 C ATOM 826 OE1 GLU A 49 13.343 27.265 10.791 1.00 0.00 O ATOM 827 OE2 GLU A 49 13.900 26.900 12.838 1.00 0.00 O ATOM 0 H GLU A 49 10.122 23.752 10.269 1.00 0.00 H new ATOM 0 HA GLU A 49 9.111 25.875 12.129 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.384 25.997 10.087 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.611 27.438 10.718 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.234 26.864 13.011 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.783 25.273 12.523 1.00 0.00 H new ATOM 834 N GLN A 50 7.736 26.925 10.295 1.00 0.00 N ATOM 835 CA GLN A 50 6.739 27.346 9.274 1.00 0.00 C ATOM 836 C GLN A 50 7.476 28.001 8.112 1.00 0.00 C ATOM 837 O GLN A 50 6.985 28.053 7.007 1.00 0.00 O ATOM 838 CB GLN A 50 5.796 28.385 9.891 1.00 0.00 C ATOM 839 CG GLN A 50 4.889 27.730 10.935 1.00 0.00 C ATOM 840 CD GLN A 50 3.875 26.809 10.253 1.00 0.00 C ATOM 841 OE1 GLN A 50 3.341 25.916 10.879 1.00 0.00 O ATOM 842 NE2 GLN A 50 3.584 26.982 8.991 1.00 0.00 N ATOM 0 H GLN A 50 7.713 27.462 11.162 1.00 0.00 H new ATOM 0 HA GLN A 50 6.173 26.480 8.931 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.377 29.183 10.354 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.190 28.844 9.110 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.490 27.160 11.643 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.367 28.498 11.506 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.031 27.731 8.463 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.910 26.368 8.534 1.00 0.00 H new ATOM 851 N GLU A 51 8.641 28.531 8.367 1.00 0.00 N ATOM 852 CA GLU A 51 9.408 29.219 7.285 1.00 0.00 C ATOM 853 C GLU A 51 9.733 28.260 6.143 1.00 0.00 C ATOM 854 O GLU A 51 9.684 28.627 4.991 1.00 0.00 O ATOM 855 CB GLU A 51 10.708 29.782 7.867 1.00 0.00 C ATOM 856 CG GLU A 51 11.706 28.642 8.107 1.00 0.00 C ATOM 857 CD GLU A 51 12.813 29.121 9.049 1.00 0.00 C ATOM 858 OE1 GLU A 51 12.483 29.619 10.113 1.00 0.00 O ATOM 859 OE2 GLU A 51 13.971 28.979 8.692 1.00 0.00 O ATOM 0 H GLU A 51 9.097 28.518 9.279 1.00 0.00 H new ATOM 0 HA GLU A 51 8.794 30.027 6.886 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.136 30.515 7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.503 30.302 8.803 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.194 27.782 8.538 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.136 28.316 7.160 1.00 0.00 H new ATOM 866 N VAL A 52 10.084 27.047 6.445 1.00 0.00 N ATOM 867 CA VAL A 52 10.424 26.096 5.359 1.00 0.00 C ATOM 868 C VAL A 52 9.220 25.922 4.465 1.00 0.00 C ATOM 869 O VAL A 52 9.328 25.840 3.263 1.00 0.00 O ATOM 870 CB VAL A 52 10.819 24.755 5.974 1.00 0.00 C ATOM 871 CG1 VAL A 52 10.966 23.700 4.877 1.00 0.00 C ATOM 872 CG2 VAL A 52 12.137 24.908 6.730 1.00 0.00 C ATOM 0 H VAL A 52 10.150 26.674 7.392 1.00 0.00 H new ATOM 0 HA VAL A 52 11.258 26.478 4.770 1.00 0.00 H new ATOM 0 HB VAL A 52 10.041 24.435 6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.248 22.747 5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.018 23.588 4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.737 24.012 4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.418 23.951 7.169 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.916 25.234 6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.019 25.649 7.521 1.00 0.00 H new ATOM 882 N VAL A 53 8.079 25.856 5.051 1.00 0.00 N ATOM 883 CA VAL A 53 6.849 25.681 4.259 1.00 0.00 C ATOM 884 C VAL A 53 6.621 26.909 3.398 1.00 0.00 C ATOM 885 O VAL A 53 6.211 26.805 2.277 1.00 0.00 O ATOM 886 CB VAL A 53 5.681 25.492 5.218 1.00 0.00 C ATOM 887 CG1 VAL A 53 4.380 25.311 4.440 1.00 0.00 C ATOM 888 CG2 VAL A 53 5.939 24.253 6.069 1.00 0.00 C ATOM 0 H VAL A 53 7.940 25.916 6.060 1.00 0.00 H new ATOM 0 HA VAL A 53 6.938 24.810 3.610 1.00 0.00 H new ATOM 0 HB VAL A 53 5.589 26.373 5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.554 25.177 5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.197 26.193 3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.459 24.433 3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.109 24.107 6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.031 23.380 5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.862 24.385 6.633 1.00 0.00 H new ATOM 898 N ASP A 54 6.869 28.068 3.924 1.00 0.00 N ATOM 899 CA ASP A 54 6.651 29.314 3.139 1.00 0.00 C ATOM 900 C ASP A 54 7.530 29.307 1.892 1.00 0.00 C ATOM 901 O ASP A 54 7.124 29.718 0.824 1.00 0.00 O ATOM 902 CB ASP A 54 6.989 30.529 4.006 1.00 0.00 C ATOM 903 CG ASP A 54 6.736 31.812 3.212 1.00 0.00 C ATOM 904 OD1 ASP A 54 6.422 31.707 2.038 1.00 0.00 O ATOM 905 OD2 ASP A 54 6.849 32.878 3.796 1.00 0.00 O ATOM 0 H ASP A 54 7.217 28.211 4.872 1.00 0.00 H new ATOM 0 HA ASP A 54 5.606 29.367 2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.381 30.523 4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.031 30.484 4.322 1.00 0.00 H new ATOM 910 N LYS A 55 8.735 28.849 2.032 1.00 0.00 N ATOM 911 CA LYS A 55 9.668 28.809 0.876 1.00 0.00 C ATOM 912 C LYS A 55 9.139 27.803 -0.132 1.00 0.00 C ATOM 913 O LYS A 55 9.162 28.022 -1.329 1.00 0.00 O ATOM 914 CB LYS A 55 11.062 28.399 1.358 1.00 0.00 C ATOM 915 CG LYS A 55 12.028 28.363 0.173 1.00 0.00 C ATOM 916 CD LYS A 55 13.433 28.029 0.676 1.00 0.00 C ATOM 917 CE LYS A 55 14.402 27.964 -0.505 1.00 0.00 C ATOM 918 NZ LYS A 55 14.198 26.682 -1.236 1.00 0.00 N ATOM 0 H LYS A 55 9.121 28.496 2.908 1.00 0.00 H new ATOM 0 HA LYS A 55 9.739 29.791 0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.419 29.103 2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.019 27.420 1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.703 27.618 -0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.031 29.326 -0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.764 28.785 1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.423 27.075 1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.236 28.808 -1.174 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.431 28.035 -0.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.889 26.610 -2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.327 25.885 -0.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.235 26.655 -1.628 1.00 0.00 H new ATOM 932 N VAL A 56 8.637 26.709 0.353 1.00 0.00 N ATOM 933 CA VAL A 56 8.073 25.687 -0.561 1.00 0.00 C ATOM 934 C VAL A 56 6.860 26.297 -1.248 1.00 0.00 C ATOM 935 O VAL A 56 6.546 25.984 -2.379 1.00 0.00 O ATOM 936 CB VAL A 56 7.667 24.442 0.237 1.00 0.00 C ATOM 937 CG1 VAL A 56 6.744 23.551 -0.606 1.00 0.00 C ATOM 938 CG2 VAL A 56 8.926 23.659 0.607 1.00 0.00 C ATOM 0 H VAL A 56 8.593 26.477 1.345 1.00 0.00 H new ATOM 0 HA VAL A 56 8.812 25.385 -1.304 1.00 0.00 H new ATOM 0 HB VAL A 56 7.136 24.748 1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.462 22.670 -0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.848 24.109 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.266 23.240 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.648 22.771 1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.449 23.360 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.580 24.287 1.212 1.00 0.00 H new ATOM 948 N MET A 57 6.178 27.172 -0.567 1.00 0.00 N ATOM 949 CA MET A 57 4.986 27.807 -1.182 1.00 0.00 C ATOM 950 C MET A 57 5.439 28.745 -2.286 1.00 0.00 C ATOM 951 O MET A 57 4.767 28.921 -3.264 1.00 0.00 O ATOM 952 CB MET A 57 4.165 28.556 -0.131 1.00 0.00 C ATOM 953 CG MET A 57 3.495 27.541 0.801 1.00 0.00 C ATOM 954 SD MET A 57 2.240 26.596 -0.104 1.00 0.00 S ATOM 955 CE MET A 57 0.886 27.791 -0.005 1.00 0.00 C ATOM 0 H MET A 57 6.394 27.473 0.383 1.00 0.00 H new ATOM 0 HA MET A 57 4.344 27.035 -1.607 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.808 29.225 0.442 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.411 29.176 -0.615 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.244 26.864 1.213 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.035 28.058 1.643 1.00 0.00 H new ATOM 0 HE1 MET A 57 0.105 27.402 0.648 1.00 0.00 H new ATOM 0 HE2 MET A 57 1.260 28.732 0.397 1.00 0.00 H new ATOM 0 HE3 MET A 57 0.476 27.960 -1.001 1.00 0.00 H new ATOM 965 N GLU A 58 6.591 29.328 -2.176 1.00 0.00 N ATOM 966 CA GLU A 58 7.036 30.214 -3.278 1.00 0.00 C ATOM 967 C GLU A 58 7.037 29.369 -4.553 1.00 0.00 C ATOM 968 O GLU A 58 6.652 29.813 -5.616 1.00 0.00 O ATOM 969 CB GLU A 58 8.446 30.738 -2.990 1.00 0.00 C ATOM 970 CG GLU A 58 8.887 31.664 -4.124 1.00 0.00 C ATOM 971 CD GLU A 58 10.236 32.295 -3.773 1.00 0.00 C ATOM 972 OE1 GLU A 58 10.683 32.105 -2.654 1.00 0.00 O ATOM 973 OE2 GLU A 58 10.798 32.957 -4.630 1.00 0.00 O ATOM 0 H GLU A 58 7.233 29.234 -1.389 1.00 0.00 H new ATOM 0 HA GLU A 58 6.375 31.074 -3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.459 31.275 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.143 29.905 -2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.967 31.103 -5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.140 32.442 -4.284 1.00 0.00 H new ATOM 980 N THR A 59 7.461 28.141 -4.435 1.00 0.00 N ATOM 981 CA THR A 59 7.488 27.227 -5.612 1.00 0.00 C ATOM 982 C THR A 59 6.081 26.705 -5.949 1.00 0.00 C ATOM 983 O THR A 59 5.695 26.650 -7.100 1.00 0.00 O ATOM 984 CB THR A 59 8.394 26.039 -5.281 1.00 0.00 C ATOM 985 OG1 THR A 59 9.680 26.516 -4.913 1.00 0.00 O ATOM 986 CG2 THR A 59 8.523 25.116 -6.493 1.00 0.00 C ATOM 0 H THR A 59 7.793 27.727 -3.564 1.00 0.00 H new ATOM 0 HA THR A 59 7.862 27.778 -6.475 1.00 0.00 H new ATOM 0 HB THR A 59 7.956 25.479 -4.455 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.262 25.757 -4.699 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.170 24.275 -6.243 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.538 24.744 -6.774 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.953 25.669 -7.328 1.00 0.00 H new ATOM 994 N LEU A 60 5.324 26.284 -4.966 1.00 0.00 N ATOM 995 CA LEU A 60 3.965 25.726 -5.250 1.00 0.00 C ATOM 996 C LEU A 60 2.923 26.835 -5.276 1.00 0.00 C ATOM 997 O LEU A 60 1.838 26.658 -5.793 1.00 0.00 O ATOM 998 CB LEU A 60 3.585 24.725 -4.159 1.00 0.00 C ATOM 999 CG LEU A 60 4.698 23.688 -3.987 1.00 0.00 C ATOM 1000 CD1 LEU A 60 4.250 22.646 -2.959 1.00 0.00 C ATOM 1001 CD2 LEU A 60 4.987 23.002 -5.331 1.00 0.00 C ATOM 0 H LEU A 60 5.587 26.302 -3.981 1.00 0.00 H new ATOM 0 HA LEU A 60 3.992 25.236 -6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.416 25.248 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.651 24.228 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 60 5.607 24.180 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.036 21.902 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.053 23.137 -2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.341 22.156 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.780 22.266 -5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.085 22.505 -5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.302 23.749 -6.060 1.00 0.00 H new ATOM 1013 N ASP A 61 3.229 27.980 -4.745 1.00 0.00 N ATOM 1014 CA ASP A 61 2.226 29.075 -4.779 1.00 0.00 C ATOM 1015 C ASP A 61 2.284 29.684 -6.162 1.00 0.00 C ATOM 1016 O ASP A 61 2.577 30.849 -6.342 1.00 0.00 O ATOM 1017 CB ASP A 61 2.531 30.147 -3.732 1.00 0.00 C ATOM 1018 CG ASP A 61 1.366 31.130 -3.671 1.00 0.00 C ATOM 1019 OD1 ASP A 61 0.414 30.939 -4.413 1.00 0.00 O ATOM 1020 OD2 ASP A 61 1.450 32.065 -2.895 1.00 0.00 O ATOM 0 H ASP A 61 4.116 28.205 -4.295 1.00 0.00 H new ATOM 0 HA ASP A 61 1.236 28.678 -4.555 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.686 29.686 -2.756 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.452 30.671 -3.987 1.00 0.00 H new ATOM 1025 N GLU A 62 2.012 28.885 -7.143 1.00 0.00 N ATOM 1026 CA GLU A 62 2.051 29.378 -8.534 1.00 0.00 C ATOM 1027 C GLU A 62 1.061 30.531 -8.644 1.00 0.00 C ATOM 1028 O GLU A 62 1.317 31.533 -9.283 1.00 0.00 O ATOM 1029 CB GLU A 62 1.639 28.243 -9.467 1.00 0.00 C ATOM 1030 CG GLU A 62 2.520 27.017 -9.197 1.00 0.00 C ATOM 1031 CD GLU A 62 2.109 25.877 -10.131 1.00 0.00 C ATOM 1032 OE1 GLU A 62 1.087 26.011 -10.783 1.00 0.00 O ATOM 1033 OE2 GLU A 62 2.826 24.890 -10.180 1.00 0.00 O ATOM 0 H GLU A 62 1.762 27.902 -7.039 1.00 0.00 H new ATOM 0 HA GLU A 62 3.050 29.717 -8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.590 27.992 -9.311 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.741 28.556 -10.506 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.569 27.269 -9.353 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.418 26.705 -8.158 1.00 0.00 H new ATOM 1040 N ASP A 63 -0.063 30.401 -8.000 1.00 0.00 N ATOM 1041 CA ASP A 63 -1.074 31.489 -8.031 1.00 0.00 C ATOM 1042 C ASP A 63 -0.542 32.676 -7.225 1.00 0.00 C ATOM 1043 O ASP A 63 -1.035 33.781 -7.327 1.00 0.00 O ATOM 1044 CB ASP A 63 -2.373 30.992 -7.397 1.00 0.00 C ATOM 1045 CG ASP A 63 -2.998 29.920 -8.289 1.00 0.00 C ATOM 1046 OD1 ASP A 63 -3.030 30.121 -9.491 1.00 0.00 O ATOM 1047 OD2 ASP A 63 -3.430 28.913 -7.753 1.00 0.00 O ATOM 0 H ASP A 63 -0.325 29.583 -7.451 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.265 31.791 -9.061 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.174 30.585 -6.406 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.067 31.822 -7.267 1.00 0.00 H new ATOM 1052 N GLY A 64 0.466 32.452 -6.423 1.00 0.00 N ATOM 1053 CA GLY A 64 1.033 33.570 -5.609 1.00 0.00 C ATOM 1054 C GLY A 64 -0.021 34.076 -4.618 1.00 0.00 C ATOM 1055 O GLY A 64 -0.055 35.245 -4.289 1.00 0.00 O ATOM 0 H GLY A 64 0.920 31.548 -6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.917 33.228 -5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.351 34.383 -6.262 1.00 0.00 H new ATOM 1059 N ASP A 65 -0.890 33.209 -4.145 1.00 0.00 N ATOM 1060 CA ASP A 65 -1.955 33.640 -3.179 1.00 0.00 C ATOM 1061 C ASP A 65 -1.644 33.115 -1.774 1.00 0.00 C ATOM 1062 O ASP A 65 -2.448 33.227 -0.870 1.00 0.00 O ATOM 1063 CB ASP A 65 -3.312 33.103 -3.648 1.00 0.00 C ATOM 1064 CG ASP A 65 -3.179 31.642 -4.084 1.00 0.00 C ATOM 1065 OD1 ASP A 65 -2.078 31.120 -4.019 1.00 0.00 O ATOM 1066 OD2 ASP A 65 -4.182 31.071 -4.481 1.00 0.00 O ATOM 0 H ASP A 65 -0.907 32.218 -4.388 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.985 34.729 -3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.042 33.185 -2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.683 33.705 -4.477 1.00 0.00 H new ATOM 1071 N GLY A 66 -0.490 32.540 -1.582 1.00 0.00 N ATOM 1072 CA GLY A 66 -0.134 32.005 -0.235 1.00 0.00 C ATOM 1073 C GLY A 66 -0.805 30.645 -0.043 1.00 0.00 C ATOM 1074 O GLY A 66 -0.679 30.010 0.986 1.00 0.00 O ATOM 0 H GLY A 66 0.224 32.416 -2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.948 31.907 -0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.458 32.697 0.542 1.00 0.00 H new ATOM 1078 N GLU A 67 -1.516 30.200 -1.040 1.00 0.00 N ATOM 1079 CA GLU A 67 -2.214 28.885 -0.973 1.00 0.00 C ATOM 1080 C GLU A 67 -2.084 28.196 -2.339 1.00 0.00 C ATOM 1081 O GLU A 67 -2.069 28.846 -3.366 1.00 0.00 O ATOM 1082 CB GLU A 67 -3.691 29.117 -0.624 1.00 0.00 C ATOM 1083 CG GLU A 67 -4.295 30.171 -1.558 1.00 0.00 C ATOM 1084 CD GLU A 67 -5.669 30.591 -1.034 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -6.234 29.849 -0.248 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -6.133 31.648 -1.428 1.00 0.00 O ATOM 0 H GLU A 67 -1.646 30.703 -1.918 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.770 28.251 -0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.244 28.182 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.781 29.444 0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.637 31.038 -1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.386 29.769 -2.567 1.00 0.00 H new ATOM 1093 N CYS A 68 -1.980 26.888 -2.358 1.00 0.00 N ATOM 1094 CA CYS A 68 -1.836 26.139 -3.652 1.00 0.00 C ATOM 1095 C CYS A 68 -3.083 25.278 -3.854 1.00 0.00 C ATOM 1096 O CYS A 68 -3.593 24.688 -2.927 1.00 0.00 O ATOM 1097 CB CYS A 68 -0.546 25.282 -3.589 1.00 0.00 C ATOM 1098 SG CYS A 68 -0.917 23.547 -3.194 1.00 0.00 S ATOM 0 H CYS A 68 -1.989 26.300 -1.525 1.00 0.00 H new ATOM 0 HA CYS A 68 -1.749 26.819 -4.500 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -0.026 25.335 -4.545 1.00 0.00 H new ATOM 0 HB3 CYS A 68 0.128 25.692 -2.836 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.144 23.450 -2.776 1.00 0.00 H new ATOM 1104 N ASP A 69 -3.578 25.208 -5.056 1.00 0.00 N ATOM 1105 CA ASP A 69 -4.799 24.397 -5.310 1.00 0.00 C ATOM 1106 C ASP A 69 -4.426 22.920 -5.373 1.00 0.00 C ATOM 1107 O ASP A 69 -3.265 22.565 -5.399 1.00 0.00 O ATOM 1108 CB ASP A 69 -5.433 24.828 -6.636 1.00 0.00 C ATOM 1109 CG ASP A 69 -6.144 26.173 -6.462 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -6.475 26.510 -5.337 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -6.347 26.845 -7.461 1.00 0.00 O ATOM 0 H ASP A 69 -3.190 25.677 -5.874 1.00 0.00 H new ATOM 0 HA ASP A 69 -5.514 24.553 -4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.666 24.909 -7.406 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.143 24.072 -6.972 1.00 0.00 H new ATOM 1116 N PHE A 70 -5.399 22.052 -5.390 1.00 0.00 N ATOM 1117 CA PHE A 70 -5.093 20.611 -5.442 1.00 0.00 C ATOM 1118 C PHE A 70 -4.152 20.344 -6.614 1.00 0.00 C ATOM 1119 O PHE A 70 -3.238 19.570 -6.503 1.00 0.00 O ATOM 1120 CB PHE A 70 -6.406 19.837 -5.632 1.00 0.00 C ATOM 1121 CG PHE A 70 -6.109 18.416 -6.052 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -5.296 17.613 -5.250 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -6.630 17.909 -7.248 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -5.004 16.304 -5.636 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -6.337 16.600 -7.637 1.00 0.00 C ATOM 1126 CZ PHE A 70 -5.524 15.795 -6.831 1.00 0.00 C ATOM 0 H PHE A 70 -6.391 22.287 -5.370 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.612 20.289 -4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.977 19.839 -4.704 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.022 20.327 -6.386 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.892 18.006 -4.329 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.258 18.530 -7.870 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.377 15.684 -5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.738 16.209 -8.560 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.298 14.782 -7.131 1.00 0.00 H new ATOM 1136 N GLN A 71 -4.367 20.975 -7.731 1.00 0.00 N ATOM 1137 CA GLN A 71 -3.473 20.734 -8.898 1.00 0.00 C ATOM 1138 C GLN A 71 -2.041 21.193 -8.586 1.00 0.00 C ATOM 1139 O GLN A 71 -1.087 20.543 -8.961 1.00 0.00 O ATOM 1140 CB GLN A 71 -4.009 21.480 -10.122 1.00 0.00 C ATOM 1141 CG GLN A 71 -3.953 22.985 -9.876 1.00 0.00 C ATOM 1142 CD GLN A 71 -4.713 23.708 -10.989 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -5.778 23.281 -11.389 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -4.205 24.788 -11.514 1.00 0.00 N ATOM 0 H GLN A 71 -5.120 21.645 -7.888 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.453 19.665 -9.109 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.419 21.224 -11.002 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.035 21.174 -10.326 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.391 23.223 -8.907 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.917 23.322 -9.849 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.311 25.146 -11.178 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.702 25.274 -12.260 1.00 0.00 H new ATOM 1153 N GLU A 72 -1.867 22.304 -7.915 1.00 0.00 N ATOM 1154 CA GLU A 72 -0.481 22.761 -7.616 1.00 0.00 C ATOM 1155 C GLU A 72 0.199 21.763 -6.671 1.00 0.00 C ATOM 1156 O GLU A 72 1.366 21.442 -6.815 1.00 0.00 O ATOM 1157 CB GLU A 72 -0.532 24.137 -6.957 1.00 0.00 C ATOM 1158 CG GLU A 72 -0.971 25.180 -7.986 1.00 0.00 C ATOM 1159 CD GLU A 72 -1.095 26.544 -7.307 1.00 0.00 C ATOM 1160 OE1 GLU A 72 -0.083 27.212 -7.173 1.00 0.00 O ATOM 1161 OE2 GLU A 72 -2.200 26.897 -6.930 1.00 0.00 O ATOM 0 H GLU A 72 -2.614 22.905 -7.567 1.00 0.00 H new ATOM 0 HA GLU A 72 0.089 22.823 -8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.227 24.124 -6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.448 24.396 -6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.247 25.231 -8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.926 24.893 -8.426 1.00 0.00 H new ATOM 1168 N PHE A 73 -0.528 21.263 -5.711 1.00 0.00 N ATOM 1169 CA PHE A 73 0.064 20.280 -4.759 1.00 0.00 C ATOM 1170 C PHE A 73 0.400 18.994 -5.508 1.00 0.00 C ATOM 1171 O PHE A 73 1.342 18.304 -5.180 1.00 0.00 O ATOM 1172 CB PHE A 73 -0.932 19.969 -3.630 1.00 0.00 C ATOM 1173 CG PHE A 73 -0.468 18.732 -2.886 1.00 0.00 C ATOM 1174 CD1 PHE A 73 0.661 18.793 -2.060 1.00 0.00 C ATOM 1175 CD2 PHE A 73 -1.150 17.520 -3.050 1.00 0.00 C ATOM 1176 CE1 PHE A 73 1.107 17.642 -1.400 1.00 0.00 C ATOM 1177 CE2 PHE A 73 -0.708 16.372 -2.385 1.00 0.00 C ATOM 1178 CZ PHE A 73 0.422 16.432 -1.562 1.00 0.00 C ATOM 0 H PHE A 73 -1.508 21.492 -5.544 1.00 0.00 H new ATOM 0 HA PHE A 73 0.970 20.704 -4.325 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.002 20.815 -2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.929 19.809 -4.041 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.187 19.727 -1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.018 17.472 -3.691 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.980 17.687 -0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.239 15.439 -2.507 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.766 15.544 -1.052 1.00 0.00 H new ATOM 1188 N MET A 74 -0.378 18.664 -6.492 1.00 0.00 N ATOM 1189 CA MET A 74 -0.136 17.415 -7.249 1.00 0.00 C ATOM 1190 C MET A 74 1.254 17.464 -7.879 1.00 0.00 C ATOM 1191 O MET A 74 1.944 16.465 -7.968 1.00 0.00 O ATOM 1192 CB MET A 74 -1.208 17.264 -8.337 1.00 0.00 C ATOM 1193 CG MET A 74 -2.515 16.729 -7.726 1.00 0.00 C ATOM 1194 SD MET A 74 -2.270 15.053 -7.077 1.00 0.00 S ATOM 1195 CE MET A 74 -1.842 14.258 -8.641 1.00 0.00 C ATOM 0 H MET A 74 -1.179 19.212 -6.807 1.00 0.00 H new ATOM 0 HA MET A 74 -0.189 16.559 -6.577 1.00 0.00 H new ATOM 0 HB2 MET A 74 -1.389 18.227 -8.815 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.856 16.584 -9.113 1.00 0.00 H new ATOM 0 HG2 MET A 74 -2.847 17.391 -6.926 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.301 16.722 -8.481 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.977 13.180 -8.550 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.488 14.639 -9.432 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.802 14.474 -8.887 1.00 0.00 H new ATOM 1205 N ALA A 75 1.676 18.608 -8.326 1.00 0.00 N ATOM 1206 CA ALA A 75 3.021 18.684 -8.951 1.00 0.00 C ATOM 1207 C ALA A 75 4.114 18.466 -7.899 1.00 0.00 C ATOM 1208 O ALA A 75 5.157 17.914 -8.186 1.00 0.00 O ATOM 1209 CB ALA A 75 3.204 20.043 -9.632 1.00 0.00 C ATOM 0 H ALA A 75 1.156 19.485 -8.287 1.00 0.00 H new ATOM 0 HA ALA A 75 3.104 17.898 -9.701 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.193 20.091 -10.088 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.443 20.170 -10.402 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.107 20.837 -8.892 1.00 0.00 H new ATOM 1215 N PHE A 76 3.889 18.882 -6.686 1.00 0.00 N ATOM 1216 CA PHE A 76 4.926 18.680 -5.626 1.00 0.00 C ATOM 1217 C PHE A 76 5.195 17.187 -5.470 1.00 0.00 C ATOM 1218 O PHE A 76 6.307 16.759 -5.280 1.00 0.00 O ATOM 1219 CB PHE A 76 4.422 19.246 -4.296 1.00 0.00 C ATOM 1220 CG PHE A 76 5.473 19.041 -3.227 1.00 0.00 C ATOM 1221 CD1 PHE A 76 6.656 19.788 -3.259 1.00 0.00 C ATOM 1222 CD2 PHE A 76 5.265 18.106 -2.204 1.00 0.00 C ATOM 1223 CE1 PHE A 76 7.630 19.603 -2.272 1.00 0.00 C ATOM 1224 CE2 PHE A 76 6.239 17.922 -1.216 1.00 0.00 C ATOM 1225 CZ PHE A 76 7.422 18.670 -1.250 1.00 0.00 C ATOM 0 H PHE A 76 3.037 19.352 -6.379 1.00 0.00 H new ATOM 0 HA PHE A 76 5.844 19.195 -5.911 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.199 20.308 -4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.494 18.752 -4.007 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.817 20.509 -4.047 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.353 17.528 -2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.542 20.180 -2.299 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.078 17.203 -0.427 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.174 18.527 -0.488 1.00 0.00 H new ATOM 1235 N VAL A 77 4.165 16.410 -5.530 1.00 0.00 N ATOM 1236 CA VAL A 77 4.291 14.927 -5.370 1.00 0.00 C ATOM 1237 C VAL A 77 5.204 14.359 -6.452 1.00 0.00 C ATOM 1238 O VAL A 77 5.967 13.452 -6.215 1.00 0.00 O ATOM 1239 CB VAL A 77 2.891 14.297 -5.492 1.00 0.00 C ATOM 1240 CG1 VAL A 77 2.811 12.989 -4.699 1.00 0.00 C ATOM 1241 CG2 VAL A 77 1.862 15.286 -4.959 1.00 0.00 C ATOM 0 H VAL A 77 3.212 16.738 -5.687 1.00 0.00 H new ATOM 0 HA VAL A 77 4.721 14.699 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 77 2.690 14.071 -6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.813 12.563 -4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.548 12.284 -5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.015 13.188 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.865 14.853 -5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.078 15.508 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.906 16.206 -5.542 1.00 0.00 H new ATOM 1251 N SER A 78 5.121 14.875 -7.637 1.00 0.00 N ATOM 1252 CA SER A 78 5.984 14.357 -8.730 1.00 0.00 C ATOM 1253 C SER A 78 7.448 14.639 -8.394 1.00 0.00 C ATOM 1254 O SER A 78 8.325 13.835 -8.642 1.00 0.00 O ATOM 1255 CB SER A 78 5.613 15.055 -10.039 1.00 0.00 C ATOM 1256 OG SER A 78 6.637 14.838 -10.997 1.00 0.00 O ATOM 0 H SER A 78 4.493 15.634 -7.900 1.00 0.00 H new ATOM 0 HA SER A 78 5.838 13.282 -8.838 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.664 14.671 -10.412 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.480 16.123 -9.869 1.00 0.00 H new ATOM 0 HG SER A 78 7.008 15.700 -11.280 1.00 0.00 H new ATOM 1262 N MET A 79 7.711 15.792 -7.852 1.00 0.00 N ATOM 1263 CA MET A 79 9.111 16.174 -7.512 1.00 0.00 C ATOM 1264 C MET A 79 9.684 15.311 -6.382 1.00 0.00 C ATOM 1265 O MET A 79 10.808 14.841 -6.452 1.00 0.00 O ATOM 1266 CB MET A 79 9.103 17.640 -7.067 1.00 0.00 C ATOM 1267 CG MET A 79 8.818 18.549 -8.263 1.00 0.00 C ATOM 1268 SD MET A 79 8.584 20.249 -7.678 1.00 0.00 S ATOM 1269 CE MET A 79 10.221 20.476 -6.941 1.00 0.00 C ATOM 0 H MET A 79 7.008 16.496 -7.626 1.00 0.00 H new ATOM 0 HA MET A 79 9.738 16.023 -8.391 1.00 0.00 H new ATOM 0 HB2 MET A 79 8.346 17.791 -6.297 1.00 0.00 H new ATOM 0 HB3 MET A 79 10.065 17.899 -6.624 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.645 18.506 -8.972 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.927 18.207 -8.790 1.00 0.00 H new ATOM 0 HE1 MET A 79 10.459 21.539 -6.903 1.00 0.00 H new ATOM 0 HE2 MET A 79 10.225 20.067 -5.931 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.967 19.959 -7.545 1.00 0.00 H new ATOM 1279 N VAL A 80 8.943 15.108 -5.338 1.00 0.00 N ATOM 1280 CA VAL A 80 9.483 14.298 -4.208 1.00 0.00 C ATOM 1281 C VAL A 80 9.619 12.836 -4.623 1.00 0.00 C ATOM 1282 O VAL A 80 10.515 12.139 -4.191 1.00 0.00 O ATOM 1283 CB VAL A 80 8.559 14.393 -2.997 1.00 0.00 C ATOM 1284 CG1 VAL A 80 9.181 13.623 -1.830 1.00 0.00 C ATOM 1285 CG2 VAL A 80 8.385 15.856 -2.599 1.00 0.00 C ATOM 0 H VAL A 80 7.995 15.462 -5.212 1.00 0.00 H new ATOM 0 HA VAL A 80 10.464 14.692 -3.944 1.00 0.00 H new ATOM 0 HB VAL A 80 7.587 13.967 -3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.526 13.687 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.310 12.578 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.151 14.055 -1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.725 15.922 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.356 16.283 -2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.950 16.410 -3.431 1.00 0.00 H new ATOM 1295 N THR A 81 8.733 12.363 -5.446 1.00 0.00 N ATOM 1296 CA THR A 81 8.813 10.939 -5.874 1.00 0.00 C ATOM 1297 C THR A 81 10.136 10.717 -6.587 1.00 0.00 C ATOM 1298 O THR A 81 10.794 9.710 -6.414 1.00 0.00 O ATOM 1299 CB THR A 81 7.667 10.608 -6.823 1.00 0.00 C ATOM 1300 OG1 THR A 81 6.431 10.826 -6.165 1.00 0.00 O ATOM 1301 CG2 THR A 81 7.775 9.141 -7.254 1.00 0.00 C ATOM 0 H THR A 81 7.958 12.896 -5.842 1.00 0.00 H new ATOM 0 HA THR A 81 8.742 10.294 -4.998 1.00 0.00 H new ATOM 0 HB THR A 81 7.722 11.248 -7.703 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.148 11.755 -6.299 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.957 8.900 -7.933 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.727 8.980 -7.761 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.718 8.499 -6.375 1.00 0.00 H new ATOM 1309 N THR A 82 10.534 11.665 -7.383 1.00 0.00 N ATOM 1310 CA THR A 82 11.819 11.536 -8.108 1.00 0.00 C ATOM 1311 C THR A 82 12.901 11.257 -7.066 1.00 0.00 C ATOM 1312 O THR A 82 13.835 10.514 -7.298 1.00 0.00 O ATOM 1313 CB THR A 82 12.107 12.852 -8.850 1.00 0.00 C ATOM 1314 OG1 THR A 82 10.886 13.380 -9.349 1.00 0.00 O ATOM 1315 CG2 THR A 82 13.053 12.597 -10.024 1.00 0.00 C ATOM 0 H THR A 82 10.020 12.528 -7.562 1.00 0.00 H new ATOM 0 HA THR A 82 11.789 10.729 -8.840 1.00 0.00 H new ATOM 0 HB THR A 82 12.571 13.557 -8.160 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.505 14.000 -8.693 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.250 13.535 -10.543 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.991 12.183 -9.653 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.593 11.890 -10.715 1.00 0.00 H new ATOM 1323 N ALA A 83 12.759 11.835 -5.903 1.00 0.00 N ATOM 1324 CA ALA A 83 13.754 11.586 -4.822 1.00 0.00 C ATOM 1325 C ALA A 83 13.777 10.087 -4.495 1.00 0.00 C ATOM 1326 O ALA A 83 14.819 9.504 -4.271 1.00 0.00 O ATOM 1327 CB ALA A 83 13.352 12.390 -3.570 1.00 0.00 C ATOM 0 H ALA A 83 11.998 12.468 -5.656 1.00 0.00 H new ATOM 0 HA ALA A 83 14.746 11.899 -5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.076 12.212 -2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.332 13.453 -3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.363 12.075 -3.237 1.00 0.00 H new ATOM 1333 N CYS A 84 12.629 9.465 -4.465 1.00 0.00 N ATOM 1334 CA CYS A 84 12.567 8.009 -4.152 1.00 0.00 C ATOM 1335 C CYS A 84 13.375 7.229 -5.188 1.00 0.00 C ATOM 1336 O CYS A 84 13.996 6.236 -4.879 1.00 0.00 O ATOM 1337 CB CYS A 84 11.113 7.538 -4.177 1.00 0.00 C ATOM 1338 SG CYS A 84 10.162 8.459 -2.942 1.00 0.00 S ATOM 0 H CYS A 84 11.727 9.906 -4.645 1.00 0.00 H new ATOM 0 HA CYS A 84 12.985 7.836 -3.160 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.687 7.691 -5.168 1.00 0.00 H new ATOM 0 HB3 CYS A 84 11.062 6.469 -3.969 1.00 0.00 H new ATOM 0 HG CYS A 84 8.924 8.062 -2.963 1.00 0.00 H new ATOM 1344 N HIS A 85 13.377 7.672 -6.415 1.00 0.00 N ATOM 1345 CA HIS A 85 14.149 6.950 -7.465 1.00 0.00 C ATOM 1346 C HIS A 85 15.617 6.895 -7.059 1.00 0.00 C ATOM 1347 O HIS A 85 16.285 5.896 -7.242 1.00 0.00 O ATOM 1348 CB HIS A 85 14.021 7.687 -8.798 1.00 0.00 C ATOM 1349 CG HIS A 85 14.847 6.986 -9.839 1.00 0.00 C ATOM 1350 ND1 HIS A 85 16.028 7.526 -10.329 1.00 0.00 N ATOM 1351 CD2 HIS A 85 14.684 5.788 -10.489 1.00 0.00 C ATOM 1352 CE1 HIS A 85 16.526 6.662 -11.232 1.00 0.00 C ATOM 1353 NE2 HIS A 85 15.745 5.589 -11.365 1.00 0.00 N ATOM 0 H HIS A 85 12.878 8.502 -6.736 1.00 0.00 H new ATOM 0 HA HIS A 85 13.756 5.939 -7.573 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.977 7.720 -9.109 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.354 8.719 -8.689 1.00 0.00 H new ATOM 0 HD1 HIS A 85 16.443 8.416 -10.054 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.860 5.106 -10.343 1.00 0.00 H new ATOM 0 HE1 HIS A 85 17.443 6.818 -11.780 1.00 0.00 H new ATOM 1362 N GLU A 86 16.127 7.953 -6.505 1.00 0.00 N ATOM 1363 CA GLU A 86 17.553 7.947 -6.088 1.00 0.00 C ATOM 1364 C GLU A 86 17.754 6.832 -5.060 1.00 0.00 C ATOM 1365 O GLU A 86 18.748 6.133 -5.075 1.00 0.00 O ATOM 1366 CB GLU A 86 17.904 9.301 -5.461 1.00 0.00 C ATOM 1367 CG GLU A 86 19.394 9.348 -5.105 1.00 0.00 C ATOM 1368 CD GLU A 86 20.229 9.310 -6.387 1.00 0.00 C ATOM 1369 OE1 GLU A 86 19.660 9.513 -7.448 1.00 0.00 O ATOM 1370 OE2 GLU A 86 21.423 9.083 -6.286 1.00 0.00 O ATOM 0 H GLU A 86 15.621 8.820 -6.323 1.00 0.00 H new ATOM 0 HA GLU A 86 18.198 7.776 -6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.663 10.105 -6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.303 9.462 -4.566 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.615 10.254 -4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.652 8.504 -4.465 1.00 0.00 H new ATOM 1377 N PHE A 87 16.817 6.656 -4.168 1.00 0.00 N ATOM 1378 CA PHE A 87 16.952 5.578 -3.144 1.00 0.00 C ATOM 1379 C PHE A 87 16.425 4.256 -3.710 1.00 0.00 C ATOM 1380 O PHE A 87 16.983 3.203 -3.476 1.00 0.00 O ATOM 1381 CB PHE A 87 16.146 5.947 -1.894 1.00 0.00 C ATOM 1382 CG PHE A 87 16.766 7.150 -1.224 1.00 0.00 C ATOM 1383 CD1 PHE A 87 17.811 6.980 -0.306 1.00 0.00 C ATOM 1384 CD2 PHE A 87 16.293 8.434 -1.515 1.00 0.00 C ATOM 1385 CE1 PHE A 87 18.382 8.095 0.318 1.00 0.00 C ATOM 1386 CE2 PHE A 87 16.864 9.550 -0.890 1.00 0.00 C ATOM 1387 CZ PHE A 87 17.909 9.380 0.026 1.00 0.00 C ATOM 0 H PHE A 87 15.964 7.211 -4.103 1.00 0.00 H new ATOM 0 HA PHE A 87 18.004 5.469 -2.881 1.00 0.00 H new ATOM 0 HB2 PHE A 87 15.113 6.163 -2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 87 16.124 5.105 -1.202 1.00 0.00 H new ATOM 0 HD1 PHE A 87 18.176 5.989 -0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 87 15.487 8.565 -2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 87 19.188 7.964 1.025 1.00 0.00 H new ATOM 0 HE2 PHE A 87 16.498 10.541 -1.115 1.00 0.00 H new ATOM 0 HZ PHE A 87 18.350 10.240 0.507 1.00 0.00 H new ATOM 1397 N PHE A 88 15.341 4.302 -4.441 1.00 0.00 N ATOM 1398 CA PHE A 88 14.757 3.051 -5.011 1.00 0.00 C ATOM 1399 C PHE A 88 15.291 2.859 -6.424 1.00 0.00 C ATOM 1400 O PHE A 88 14.563 2.923 -7.395 1.00 0.00 O ATOM 1401 CB PHE A 88 13.220 3.162 -5.034 1.00 0.00 C ATOM 1402 CG PHE A 88 12.647 2.714 -3.702 1.00 0.00 C ATOM 1403 CD1 PHE A 88 13.296 3.050 -2.507 1.00 0.00 C ATOM 1404 CD2 PHE A 88 11.461 1.971 -3.666 1.00 0.00 C ATOM 1405 CE1 PHE A 88 12.762 2.644 -1.280 1.00 0.00 C ATOM 1406 CE2 PHE A 88 10.927 1.562 -2.437 1.00 0.00 C ATOM 1407 CZ PHE A 88 11.578 1.899 -1.244 1.00 0.00 C ATOM 0 H PHE A 88 14.833 5.157 -4.669 1.00 0.00 H new ATOM 0 HA PHE A 88 15.036 2.195 -4.397 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.925 4.191 -5.239 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.815 2.548 -5.838 1.00 0.00 H new ATOM 0 HD1 PHE A 88 14.211 3.624 -2.533 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.958 1.713 -4.586 1.00 0.00 H new ATOM 0 HE1 PHE A 88 13.264 2.905 -0.360 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.013 0.987 -2.410 1.00 0.00 H new ATOM 0 HZ PHE A 88 11.166 1.584 -0.296 1.00 0.00 H new ATOM 1464 N MET B 0 -5.130 7.326 2.947 1.00 0.00 N ATOM 1465 CA MET B 0 -4.651 6.876 4.285 1.00 0.00 C ATOM 1466 C MET B 0 -3.121 6.848 4.298 1.00 0.00 C ATOM 1467 O MET B 0 -2.512 5.866 4.672 1.00 0.00 O ATOM 1468 CB MET B 0 -5.192 5.473 4.573 1.00 0.00 C ATOM 1469 CG MET B 0 -4.935 4.571 3.364 1.00 0.00 C ATOM 1470 SD MET B 0 -5.481 2.885 3.734 1.00 0.00 S ATOM 1471 CE MET B 0 -7.218 3.098 3.272 1.00 0.00 C ATOM 0 H1 MET B 0 -6.113 7.017 2.808 1.00 0.00 H new ATOM 0 H2 MET B 0 -5.082 8.363 2.892 1.00 0.00 H new ATOM 0 H3 MET B 0 -4.529 6.912 2.206 1.00 0.00 H new ATOM 0 HA MET B 0 -5.006 7.567 5.050 1.00 0.00 H new ATOM 0 HB2 MET B 0 -4.709 5.060 5.458 1.00 0.00 H new ATOM 0 HB3 MET B 0 -6.260 5.520 4.785 1.00 0.00 H new ATOM 0 HG2 MET B 0 -5.468 4.953 2.493 1.00 0.00 H new ATOM 0 HG3 MET B 0 -3.874 4.574 3.115 1.00 0.00 H new ATOM 0 HE1 MET B 0 -7.753 2.160 3.425 1.00 0.00 H new ATOM 0 HE2 MET B 0 -7.666 3.876 3.890 1.00 0.00 H new ATOM 0 HE3 MET B 0 -7.283 3.386 2.223 1.00 0.00 H new ATOM 1483 N SER B 1 -2.498 7.922 3.890 1.00 0.00 N ATOM 1484 CA SER B 1 -1.004 7.974 3.874 1.00 0.00 C ATOM 1485 C SER B 1 -0.449 6.873 2.964 1.00 0.00 C ATOM 1486 O SER B 1 0.695 6.478 3.079 1.00 0.00 O ATOM 1487 CB SER B 1 -0.464 7.793 5.296 1.00 0.00 C ATOM 1488 OG SER B 1 -1.190 8.633 6.183 1.00 0.00 O ATOM 0 H SER B 1 -2.961 8.771 3.565 1.00 0.00 H new ATOM 0 HA SER B 1 -0.687 8.944 3.490 1.00 0.00 H new ATOM 0 HB2 SER B 1 -0.558 6.752 5.604 1.00 0.00 H new ATOM 0 HB3 SER B 1 0.597 8.040 5.329 1.00 0.00 H new ATOM 0 HG SER B 1 -0.849 8.519 7.095 1.00 0.00 H new ATOM 1494 N GLU B 2 -1.243 6.390 2.048 1.00 0.00 N ATOM 1495 CA GLU B 2 -0.760 5.333 1.111 1.00 0.00 C ATOM 1496 C GLU B 2 0.141 5.980 0.060 1.00 0.00 C ATOM 1497 O GLU B 2 0.423 5.409 -0.975 1.00 0.00 O ATOM 1498 CB GLU B 2 -1.953 4.657 0.431 1.00 0.00 C ATOM 1499 CG GLU B 2 -2.818 5.713 -0.256 1.00 0.00 C ATOM 1500 CD GLU B 2 -4.008 5.030 -0.933 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -4.003 3.812 -1.006 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -4.903 5.736 -1.366 1.00 0.00 O ATOM 0 H GLU B 2 -2.210 6.683 1.907 1.00 0.00 H new ATOM 0 HA GLU B 2 -0.199 4.579 1.663 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -1.603 3.928 -0.300 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -2.543 4.112 1.168 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -3.170 6.442 0.474 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -2.229 6.258 -0.994 1.00 0.00 H new ATOM 1509 N LEU B 3 0.578 7.181 0.318 1.00 0.00 N ATOM 1510 CA LEU B 3 1.444 7.900 -0.655 1.00 0.00 C ATOM 1511 C LEU B 3 2.728 7.108 -0.903 1.00 0.00 C ATOM 1512 O LEU B 3 3.289 7.162 -1.968 1.00 0.00 O ATOM 1513 CB LEU B 3 1.786 9.287 -0.101 1.00 0.00 C ATOM 1514 CG LEU B 3 2.681 10.057 -1.084 1.00 0.00 C ATOM 1515 CD1 LEU B 3 1.961 10.235 -2.431 1.00 0.00 C ATOM 1516 CD2 LEU B 3 3.002 11.433 -0.488 1.00 0.00 C ATOM 0 H LEU B 3 0.369 7.700 1.171 1.00 0.00 H new ATOM 0 HA LEU B 3 0.911 8.006 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU B 3 0.869 9.848 0.080 1.00 0.00 H new ATOM 0 HB3 LEU B 3 2.293 9.186 0.859 1.00 0.00 H new ATOM 0 HG LEU B 3 3.601 9.497 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU B 3 2.606 10.782 -3.119 1.00 0.00 H new ATOM 0 HD12 LEU B 3 1.729 9.257 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU B 3 1.037 10.793 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU B 3 3.637 11.989 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU B 3 2.076 11.984 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.522 11.306 0.462 1.00 0.00 H new ATOM 1528 N GLU B 4 3.211 6.392 0.067 1.00 0.00 N ATOM 1529 CA GLU B 4 4.472 5.616 -0.142 1.00 0.00 C ATOM 1530 C GLU B 4 4.293 4.610 -1.277 1.00 0.00 C ATOM 1531 O GLU B 4 5.186 4.391 -2.072 1.00 0.00 O ATOM 1532 CB GLU B 4 4.813 4.839 1.133 1.00 0.00 C ATOM 1533 CG GLU B 4 5.267 5.791 2.237 1.00 0.00 C ATOM 1534 CD GLU B 4 5.596 4.971 3.486 1.00 0.00 C ATOM 1535 OE1 GLU B 4 5.221 3.810 3.522 1.00 0.00 O ATOM 1536 OE2 GLU B 4 6.207 5.516 4.388 1.00 0.00 O ATOM 0 H GLU B 4 2.794 6.306 0.994 1.00 0.00 H new ATOM 0 HA GLU B 4 5.270 6.316 -0.390 1.00 0.00 H new ATOM 0 HB2 GLU B 4 3.941 4.276 1.466 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.600 4.114 0.924 1.00 0.00 H new ATOM 0 HG2 GLU B 4 6.142 6.355 1.914 1.00 0.00 H new ATOM 0 HG3 GLU B 4 4.484 6.516 2.457 1.00 0.00 H new ATOM 1543 N LYS B 5 3.159 3.980 -1.347 1.00 0.00 N ATOM 1544 CA LYS B 5 2.938 2.967 -2.419 1.00 0.00 C ATOM 1545 C LYS B 5 2.789 3.653 -3.775 1.00 0.00 C ATOM 1546 O LYS B 5 3.256 3.157 -4.778 1.00 0.00 O ATOM 1547 CB LYS B 5 1.684 2.130 -2.104 1.00 0.00 C ATOM 1548 CG LYS B 5 2.035 0.976 -1.143 1.00 0.00 C ATOM 1549 CD LYS B 5 2.476 1.514 0.228 1.00 0.00 C ATOM 1550 CE LYS B 5 1.354 2.343 0.868 1.00 0.00 C ATOM 1551 NZ LYS B 5 1.503 2.315 2.350 1.00 0.00 N ATOM 0 H LYS B 5 2.374 4.120 -0.711 1.00 0.00 H new ATOM 0 HA LYS B 5 3.803 2.304 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS B 5 0.919 2.764 -1.657 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.266 1.729 -3.027 1.00 0.00 H new ATOM 0 HG2 LYS B 5 1.170 0.324 -1.021 1.00 0.00 H new ATOM 0 HG3 LYS B 5 2.832 0.370 -1.573 1.00 0.00 H new ATOM 0 HD2 LYS B 5 2.741 0.684 0.883 1.00 0.00 H new ATOM 0 HD3 LYS B 5 3.370 2.128 0.114 1.00 0.00 H new ATOM 0 HE2 LYS B 5 1.394 3.371 0.507 1.00 0.00 H new ATOM 0 HE3 LYS B 5 0.382 1.942 0.581 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 0.744 2.876 2.786 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 1.444 1.333 2.686 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 2.425 2.717 2.614 1.00 0.00 H new ATOM 1565 N ALA B 6 2.114 4.763 -3.827 1.00 0.00 N ATOM 1566 CA ALA B 6 1.920 5.435 -5.145 1.00 0.00 C ATOM 1567 C ALA B 6 3.246 5.980 -5.685 1.00 0.00 C ATOM 1568 O ALA B 6 3.526 5.886 -6.860 1.00 0.00 O ATOM 1569 CB ALA B 6 0.908 6.582 -4.989 1.00 0.00 C ATOM 0 H ALA B 6 1.691 5.233 -3.026 1.00 0.00 H new ATOM 0 HA ALA B 6 1.540 4.702 -5.857 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.765 7.074 -5.951 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -0.044 6.182 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.285 7.304 -4.265 1.00 0.00 H new ATOM 1575 N MET B 7 4.053 6.553 -4.846 1.00 0.00 N ATOM 1576 CA MET B 7 5.352 7.115 -5.316 1.00 0.00 C ATOM 1577 C MET B 7 6.228 6.003 -5.878 1.00 0.00 C ATOM 1578 O MET B 7 6.900 6.159 -6.883 1.00 0.00 O ATOM 1579 CB MET B 7 6.072 7.763 -4.130 1.00 0.00 C ATOM 1580 CG MET B 7 5.338 9.033 -3.704 1.00 0.00 C ATOM 1581 SD MET B 7 6.302 9.871 -2.418 1.00 0.00 S ATOM 1582 CE MET B 7 5.902 11.572 -2.890 1.00 0.00 C ATOM 0 H MET B 7 3.872 6.659 -3.848 1.00 0.00 H new ATOM 0 HA MET B 7 5.164 7.854 -6.095 1.00 0.00 H new ATOM 0 HB2 MET B 7 6.119 7.063 -3.296 1.00 0.00 H new ATOM 0 HB3 MET B 7 7.100 8.002 -4.404 1.00 0.00 H new ATOM 0 HG2 MET B 7 5.200 9.693 -4.561 1.00 0.00 H new ATOM 0 HG3 MET B 7 4.345 8.786 -3.329 1.00 0.00 H new ATOM 0 HE1 MET B 7 6.106 12.239 -2.053 1.00 0.00 H new ATOM 0 HE2 MET B 7 6.512 11.865 -3.745 1.00 0.00 H new ATOM 0 HE3 MET B 7 4.847 11.637 -3.157 1.00 0.00 H new ATOM 1592 N VAL B 8 6.215 4.881 -5.236 1.00 0.00 N ATOM 1593 CA VAL B 8 7.037 3.740 -5.709 1.00 0.00 C ATOM 1594 C VAL B 8 6.492 3.268 -7.056 1.00 0.00 C ATOM 1595 O VAL B 8 7.225 2.879 -7.942 1.00 0.00 O ATOM 1596 CB VAL B 8 6.968 2.610 -4.677 1.00 0.00 C ATOM 1597 CG1 VAL B 8 7.605 1.344 -5.252 1.00 0.00 C ATOM 1598 CG2 VAL B 8 7.723 3.035 -3.412 1.00 0.00 C ATOM 0 H VAL B 8 5.666 4.700 -4.395 1.00 0.00 H new ATOM 0 HA VAL B 8 8.077 4.042 -5.830 1.00 0.00 H new ATOM 0 HB VAL B 8 5.926 2.406 -4.432 1.00 0.00 H new ATOM 0 HG11 VAL B 8 7.553 0.543 -4.514 1.00 0.00 H new ATOM 0 HG12 VAL B 8 7.069 1.043 -6.152 1.00 0.00 H new ATOM 0 HG13 VAL B 8 8.648 1.542 -5.500 1.00 0.00 H new ATOM 0 HG21 VAL B 8 7.677 2.234 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL B 8 8.764 3.239 -3.661 1.00 0.00 H new ATOM 0 HG23 VAL B 8 7.265 3.934 -3.000 1.00 0.00 H new ATOM 1608 N ALA B 9 5.200 3.284 -7.190 1.00 0.00 N ATOM 1609 CA ALA B 9 4.548 2.824 -8.449 1.00 0.00 C ATOM 1610 C ALA B 9 4.926 3.709 -9.641 1.00 0.00 C ATOM 1611 O ALA B 9 5.128 3.219 -10.730 1.00 0.00 O ATOM 1612 CB ALA B 9 3.038 2.851 -8.271 1.00 0.00 C ATOM 0 H ALA B 9 4.553 3.602 -6.468 1.00 0.00 H new ATOM 0 HA ALA B 9 4.894 1.811 -8.655 1.00 0.00 H new ATOM 0 HB1 ALA B 9 2.557 2.515 -9.190 1.00 0.00 H new ATOM 0 HB2 ALA B 9 2.756 2.190 -7.452 1.00 0.00 H new ATOM 0 HB3 ALA B 9 2.717 3.867 -8.044 1.00 0.00 H new ATOM 1618 N LEU B 10 5.008 5.002 -9.470 1.00 0.00 N ATOM 1619 CA LEU B 10 5.358 5.863 -10.642 1.00 0.00 C ATOM 1620 C LEU B 10 6.726 5.433 -11.154 1.00 0.00 C ATOM 1621 O LEU B 10 6.972 5.375 -12.342 1.00 0.00 O ATOM 1622 CB LEU B 10 5.420 7.350 -10.226 1.00 0.00 C ATOM 1623 CG LEU B 10 4.045 8.011 -10.356 1.00 0.00 C ATOM 1624 CD1 LEU B 10 3.117 7.474 -9.272 1.00 0.00 C ATOM 1625 CD2 LEU B 10 4.202 9.526 -10.197 1.00 0.00 C ATOM 0 H LEU B 10 4.852 5.493 -8.590 1.00 0.00 H new ATOM 0 HA LEU B 10 4.598 5.751 -11.415 1.00 0.00 H new ATOM 0 HB2 LEU B 10 5.771 7.430 -9.197 1.00 0.00 H new ATOM 0 HB3 LEU B 10 6.142 7.877 -10.850 1.00 0.00 H new ATOM 0 HG LEU B 10 3.619 7.788 -11.334 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.138 7.945 -9.365 1.00 0.00 H new ATOM 0 HD12 LEU B 10 3.013 6.395 -9.384 1.00 0.00 H new ATOM 0 HD13 LEU B 10 3.536 7.698 -8.291 1.00 0.00 H new ATOM 0 HD21 LEU B 10 3.227 10.004 -10.288 1.00 0.00 H new ATOM 0 HD22 LEU B 10 4.624 9.747 -9.217 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.867 9.906 -10.973 1.00 0.00 H new ATOM 1637 N ILE B 11 7.615 5.140 -10.261 1.00 0.00 N ATOM 1638 CA ILE B 11 8.976 4.717 -10.674 1.00 0.00 C ATOM 1639 C ILE B 11 8.939 3.348 -11.375 1.00 0.00 C ATOM 1640 O ILE B 11 9.684 3.108 -12.304 1.00 0.00 O ATOM 1641 CB ILE B 11 9.881 4.684 -9.437 1.00 0.00 C ATOM 1642 CG1 ILE B 11 10.129 6.129 -8.974 1.00 0.00 C ATOM 1643 CG2 ILE B 11 11.212 4.011 -9.780 1.00 0.00 C ATOM 1644 CD1 ILE B 11 10.722 6.144 -7.564 1.00 0.00 C ATOM 0 H ILE B 11 7.460 5.175 -9.254 1.00 0.00 H new ATOM 0 HA ILE B 11 9.377 5.432 -11.393 1.00 0.00 H new ATOM 0 HB ILE B 11 9.400 4.115 -8.641 1.00 0.00 H new ATOM 0 HG12 ILE B 11 10.808 6.628 -9.666 1.00 0.00 H new ATOM 0 HG13 ILE B 11 9.193 6.687 -8.988 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.849 3.992 -8.895 1.00 0.00 H new ATOM 0 HG22 ILE B 11 11.028 2.991 -10.117 1.00 0.00 H new ATOM 0 HG23 ILE B 11 11.709 4.570 -10.573 1.00 0.00 H new ATOM 0 HD11 ILE B 11 10.891 7.174 -7.251 1.00 0.00 H new ATOM 0 HD12 ILE B 11 10.029 5.664 -6.873 1.00 0.00 H new ATOM 0 HD13 ILE B 11 11.669 5.604 -7.562 1.00 0.00 H new ATOM 1656 N ASP B 12 8.113 2.436 -10.931 1.00 0.00 N ATOM 1657 CA ASP B 12 8.089 1.086 -11.578 1.00 0.00 C ATOM 1658 C ASP B 12 7.560 1.150 -13.021 1.00 0.00 C ATOM 1659 O ASP B 12 8.053 0.470 -13.902 1.00 0.00 O ATOM 1660 CB ASP B 12 7.177 0.167 -10.766 1.00 0.00 C ATOM 1661 CG ASP B 12 7.839 -0.151 -9.424 1.00 0.00 C ATOM 1662 OD1 ASP B 12 9.058 -0.174 -9.378 1.00 0.00 O ATOM 1663 OD2 ASP B 12 7.116 -0.370 -8.466 1.00 0.00 O ATOM 0 H ASP B 12 7.460 2.563 -10.158 1.00 0.00 H new ATOM 0 HA ASP B 12 9.111 0.708 -11.606 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.212 0.646 -10.603 1.00 0.00 H new ATOM 0 HB3 ASP B 12 6.987 -0.754 -11.317 1.00 0.00 H new ATOM 1668 N VAL B 13 6.548 1.932 -13.264 1.00 0.00 N ATOM 1669 CA VAL B 13 5.968 2.006 -14.639 1.00 0.00 C ATOM 1670 C VAL B 13 6.930 2.755 -15.582 1.00 0.00 C ATOM 1671 O VAL B 13 7.128 2.375 -16.729 1.00 0.00 O ATOM 1672 CB VAL B 13 4.571 2.696 -14.534 1.00 0.00 C ATOM 1673 CG1 VAL B 13 4.593 4.134 -15.077 1.00 0.00 C ATOM 1674 CG2 VAL B 13 3.507 1.888 -15.294 1.00 0.00 C ATOM 0 H VAL B 13 6.094 2.526 -12.570 1.00 0.00 H new ATOM 0 HA VAL B 13 5.835 1.011 -15.064 1.00 0.00 H new ATOM 0 HB VAL B 13 4.320 2.733 -13.474 1.00 0.00 H new ATOM 0 HG11 VAL B 13 3.600 4.574 -14.983 1.00 0.00 H new ATOM 0 HG12 VAL B 13 5.308 4.727 -14.507 1.00 0.00 H new ATOM 0 HG13 VAL B 13 4.887 4.122 -16.127 1.00 0.00 H new ATOM 0 HG21 VAL B 13 2.541 2.386 -15.208 1.00 0.00 H new ATOM 0 HG22 VAL B 13 3.786 1.817 -16.345 1.00 0.00 H new ATOM 0 HG23 VAL B 13 3.438 0.887 -14.869 1.00 0.00 H new ATOM 1684 N PHE B 14 7.531 3.808 -15.108 1.00 0.00 N ATOM 1685 CA PHE B 14 8.470 4.574 -15.968 1.00 0.00 C ATOM 1686 C PHE B 14 9.616 3.672 -16.417 1.00 0.00 C ATOM 1687 O PHE B 14 10.057 3.751 -17.533 1.00 0.00 O ATOM 1688 CB PHE B 14 9.031 5.773 -15.196 1.00 0.00 C ATOM 1689 CG PHE B 14 10.112 6.445 -16.018 1.00 0.00 C ATOM 1690 CD1 PHE B 14 9.768 7.298 -17.074 1.00 0.00 C ATOM 1691 CD2 PHE B 14 11.462 6.206 -15.728 1.00 0.00 C ATOM 1692 CE1 PHE B 14 10.772 7.910 -17.832 1.00 0.00 C ATOM 1693 CE2 PHE B 14 12.464 6.818 -16.489 1.00 0.00 C ATOM 1694 CZ PHE B 14 12.119 7.671 -17.541 1.00 0.00 C ATOM 0 H PHE B 14 7.412 4.171 -14.162 1.00 0.00 H new ATOM 0 HA PHE B 14 7.931 4.934 -16.844 1.00 0.00 H new ATOM 0 HB2 PHE B 14 8.233 6.482 -14.976 1.00 0.00 H new ATOM 0 HB3 PHE B 14 9.438 5.445 -14.240 1.00 0.00 H new ATOM 0 HD1 PHE B 14 8.729 7.483 -17.303 1.00 0.00 H new ATOM 0 HD2 PHE B 14 11.730 5.548 -14.915 1.00 0.00 H new ATOM 0 HE1 PHE B 14 10.506 8.569 -18.645 1.00 0.00 H new ATOM 0 HE2 PHE B 14 13.504 6.631 -16.264 1.00 0.00 H new ATOM 0 HZ PHE B 14 12.891 8.145 -18.128 1.00 0.00 H new ATOM 1704 N HIS B 15 10.116 2.832 -15.560 1.00 0.00 N ATOM 1705 CA HIS B 15 11.249 1.953 -15.970 1.00 0.00 C ATOM 1706 C HIS B 15 10.810 0.992 -17.074 1.00 0.00 C ATOM 1707 O HIS B 15 11.609 0.564 -17.881 1.00 0.00 O ATOM 1708 CB HIS B 15 11.749 1.151 -14.768 1.00 0.00 C ATOM 1709 CG HIS B 15 12.465 2.069 -13.817 1.00 0.00 C ATOM 1710 ND1 HIS B 15 13.450 2.951 -14.243 1.00 0.00 N ATOM 1711 CD2 HIS B 15 12.357 2.254 -12.461 1.00 0.00 C ATOM 1712 CE1 HIS B 15 13.890 3.620 -13.162 1.00 0.00 C ATOM 1713 NE2 HIS B 15 13.257 3.231 -12.054 1.00 0.00 N ATOM 0 H HIS B 15 9.795 2.714 -14.599 1.00 0.00 H new ATOM 0 HA HIS B 15 12.054 2.583 -16.348 1.00 0.00 H new ATOM 0 HB2 HIS B 15 10.911 0.670 -14.264 1.00 0.00 H new ATOM 0 HB3 HIS B 15 12.420 0.358 -15.100 1.00 0.00 H new ATOM 0 HD1 HIS B 15 13.780 3.070 -15.201 1.00 0.00 H new ATOM 0 HD2 HIS B 15 11.678 1.722 -11.811 1.00 0.00 H new ATOM 0 HE1 HIS B 15 14.660 4.377 -13.188 1.00 0.00 H new ATOM 1722 N GLN B 16 9.560 0.636 -17.121 1.00 0.00 N ATOM 1723 CA GLN B 16 9.114 -0.305 -18.185 1.00 0.00 C ATOM 1724 C GLN B 16 9.378 0.296 -19.567 1.00 0.00 C ATOM 1725 O GLN B 16 9.812 -0.387 -20.472 1.00 0.00 O ATOM 1726 CB GLN B 16 7.618 -0.587 -18.031 1.00 0.00 C ATOM 1727 CG GLN B 16 7.378 -1.444 -16.787 1.00 0.00 C ATOM 1728 CD GLN B 16 7.916 -2.856 -17.033 1.00 0.00 C ATOM 1729 OE1 GLN B 16 7.556 -3.493 -18.003 1.00 0.00 O ATOM 1730 NE2 GLN B 16 8.767 -3.376 -16.192 1.00 0.00 N ATOM 0 H GLN B 16 8.834 0.950 -16.478 1.00 0.00 H new ATOM 0 HA GLN B 16 9.674 -1.235 -18.088 1.00 0.00 H new ATOM 0 HB2 GLN B 16 7.068 0.351 -17.949 1.00 0.00 H new ATOM 0 HB3 GLN B 16 7.242 -1.101 -18.916 1.00 0.00 H new ATOM 0 HG2 GLN B 16 7.873 -0.999 -15.924 1.00 0.00 H new ATOM 0 HG3 GLN B 16 6.313 -1.483 -16.558 1.00 0.00 H new ATOM 0 HE21 GLN B 16 9.070 -2.842 -15.377 1.00 0.00 H new ATOM 0 HE22 GLN B 16 9.129 -4.316 -16.349 1.00 0.00 H new ATOM 1739 N TYR B 17 9.099 1.562 -19.754 1.00 0.00 N ATOM 1740 CA TYR B 17 9.318 2.177 -21.108 1.00 0.00 C ATOM 1741 C TYR B 17 10.735 2.750 -21.275 1.00 0.00 C ATOM 1742 O TYR B 17 11.333 2.640 -22.327 1.00 0.00 O ATOM 1743 CB TYR B 17 8.292 3.297 -21.300 1.00 0.00 C ATOM 1744 CG TYR B 17 6.967 2.685 -21.666 1.00 0.00 C ATOM 1745 CD1 TYR B 17 6.087 2.268 -20.666 1.00 0.00 C ATOM 1746 CD2 TYR B 17 6.632 2.524 -23.011 1.00 0.00 C ATOM 1747 CE1 TYR B 17 4.865 1.687 -21.011 1.00 0.00 C ATOM 1748 CE2 TYR B 17 5.411 1.947 -23.364 1.00 0.00 C ATOM 1749 CZ TYR B 17 4.523 1.527 -22.361 1.00 0.00 C ATOM 1750 OH TYR B 17 3.317 0.949 -22.699 1.00 0.00 O ATOM 0 H TYR B 17 8.734 2.193 -19.041 1.00 0.00 H new ATOM 0 HA TYR B 17 9.199 1.395 -21.858 1.00 0.00 H new ATOM 0 HB2 TYR B 17 8.197 3.883 -20.386 1.00 0.00 H new ATOM 0 HB3 TYR B 17 8.621 3.980 -22.083 1.00 0.00 H new ATOM 0 HD1 TYR B 17 6.351 2.395 -19.626 1.00 0.00 H new ATOM 0 HD2 TYR B 17 7.318 2.846 -23.780 1.00 0.00 H new ATOM 0 HE1 TYR B 17 4.184 1.361 -20.239 1.00 0.00 H new ATOM 0 HE2 TYR B 17 5.150 1.824 -24.405 1.00 0.00 H new ATOM 0 HH TYR B 17 2.732 0.930 -21.913 1.00 0.00 H new ATOM 1760 N SER B 18 11.262 3.386 -20.274 1.00 0.00 N ATOM 1761 CA SER B 18 12.620 3.995 -20.408 1.00 0.00 C ATOM 1762 C SER B 18 13.657 2.918 -20.728 1.00 0.00 C ATOM 1763 O SER B 18 14.555 3.122 -21.521 1.00 0.00 O ATOM 1764 CB SER B 18 12.998 4.697 -19.103 1.00 0.00 C ATOM 1765 OG SER B 18 13.274 3.722 -18.107 1.00 0.00 O ATOM 0 H SER B 18 10.816 3.514 -19.366 1.00 0.00 H new ATOM 0 HA SER B 18 12.602 4.719 -21.222 1.00 0.00 H new ATOM 0 HB2 SER B 18 13.870 5.332 -19.258 1.00 0.00 H new ATOM 0 HB3 SER B 18 12.185 5.346 -18.777 1.00 0.00 H new ATOM 0 HG SER B 18 13.518 4.169 -17.270 1.00 0.00 H new ATOM 1771 N GLY B 19 13.546 1.778 -20.111 1.00 0.00 N ATOM 1772 CA GLY B 19 14.532 0.686 -20.370 1.00 0.00 C ATOM 1773 C GLY B 19 14.154 -0.080 -21.638 1.00 0.00 C ATOM 1774 O GLY B 19 14.918 -0.883 -22.136 1.00 0.00 O ATOM 0 H GLY B 19 12.815 1.551 -19.437 1.00 0.00 H new ATOM 0 HA2 GLY B 19 15.532 1.107 -20.476 1.00 0.00 H new ATOM 0 HA3 GLY B 19 14.561 0.004 -19.520 1.00 0.00 H new ATOM 1778 N ARG B 20 12.984 0.150 -22.162 1.00 0.00 N ATOM 1779 CA ARG B 20 12.572 -0.578 -23.393 1.00 0.00 C ATOM 1780 C ARG B 20 13.552 -0.274 -24.529 1.00 0.00 C ATOM 1781 O ARG B 20 14.029 -1.163 -25.205 1.00 0.00 O ATOM 1782 CB ARG B 20 11.168 -0.136 -23.801 1.00 0.00 C ATOM 1783 CG ARG B 20 10.720 -0.937 -25.024 1.00 0.00 C ATOM 1784 CD ARG B 20 9.319 -0.499 -25.435 1.00 0.00 C ATOM 1785 NE ARG B 20 8.844 -1.365 -26.549 1.00 0.00 N ATOM 1786 CZ ARG B 20 7.574 -1.422 -26.836 1.00 0.00 C ATOM 1787 NH1 ARG B 20 6.713 -0.739 -26.134 1.00 0.00 N ATOM 1788 NH2 ARG B 20 7.165 -2.172 -27.823 1.00 0.00 N ATOM 0 H ARG B 20 12.297 0.808 -21.793 1.00 0.00 H new ATOM 0 HA ARG B 20 12.574 -1.650 -23.193 1.00 0.00 H new ATOM 0 HB2 ARG B 20 10.472 -0.290 -22.976 1.00 0.00 H new ATOM 0 HB3 ARG B 20 11.162 0.930 -24.028 1.00 0.00 H new ATOM 0 HG2 ARG B 20 11.417 -0.783 -25.848 1.00 0.00 H new ATOM 0 HG3 ARG B 20 10.727 -2.003 -24.796 1.00 0.00 H new ATOM 0 HD2 ARG B 20 8.639 -0.571 -24.586 1.00 0.00 H new ATOM 0 HD3 ARG B 20 9.328 0.545 -25.748 1.00 0.00 H new ATOM 0 HE ARG B 20 9.513 -1.914 -27.088 1.00 0.00 H new ATOM 0 HH11 ARG B 20 7.033 -0.159 -25.359 1.00 0.00 H new ATOM 0 HH12 ARG B 20 5.719 -0.785 -26.360 1.00 0.00 H new ATOM 0 HH21 ARG B 20 7.839 -2.711 -28.367 1.00 0.00 H new ATOM 0 HH22 ARG B 20 6.172 -2.219 -28.050 1.00 0.00 H new ATOM 1802 N GLU B 21 13.848 0.978 -24.751 1.00 0.00 N ATOM 1803 CA GLU B 21 14.789 1.339 -25.853 1.00 0.00 C ATOM 1804 C GLU B 21 16.223 1.258 -25.334 1.00 0.00 C ATOM 1805 O GLU B 21 16.959 0.350 -25.665 1.00 0.00 O ATOM 1806 CB GLU B 21 14.501 2.766 -26.330 1.00 0.00 C ATOM 1807 CG GLU B 21 15.410 3.106 -27.517 1.00 0.00 C ATOM 1808 CD GLU B 21 15.123 4.531 -27.993 1.00 0.00 C ATOM 1809 OE1 GLU B 21 14.143 5.098 -27.544 1.00 0.00 O ATOM 1810 OE2 GLU B 21 15.885 5.027 -28.808 1.00 0.00 O ATOM 0 H GLU B 21 13.480 1.766 -24.218 1.00 0.00 H new ATOM 0 HA GLU B 21 14.658 0.648 -26.685 1.00 0.00 H new ATOM 0 HB2 GLU B 21 13.455 2.858 -26.622 1.00 0.00 H new ATOM 0 HB3 GLU B 21 14.668 3.473 -25.517 1.00 0.00 H new ATOM 0 HG2 GLU B 21 16.456 3.013 -27.225 1.00 0.00 H new ATOM 0 HG3 GLU B 21 15.242 2.400 -28.330 1.00 0.00 H new ATOM 1817 N GLY B 22 16.634 2.198 -24.527 1.00 0.00 N ATOM 1818 CA GLY B 22 18.026 2.154 -24.004 1.00 0.00 C ATOM 1819 C GLY B 22 18.293 3.353 -23.091 1.00 0.00 C ATOM 1820 O GLY B 22 19.153 3.303 -22.234 1.00 0.00 O ATOM 0 H GLY B 22 16.071 2.987 -24.210 1.00 0.00 H new ATOM 0 HA2 GLY B 22 18.185 1.227 -23.453 1.00 0.00 H new ATOM 0 HA3 GLY B 22 18.733 2.156 -24.834 1.00 0.00 H new ATOM 1824 N ASP B 23 17.581 4.436 -23.264 1.00 0.00 N ATOM 1825 CA ASP B 23 17.832 5.621 -22.397 1.00 0.00 C ATOM 1826 C ASP B 23 17.134 5.430 -21.048 1.00 0.00 C ATOM 1827 O ASP B 23 16.031 5.893 -20.832 1.00 0.00 O ATOM 1828 CB ASP B 23 17.295 6.870 -23.091 1.00 0.00 C ATOM 1829 CG ASP B 23 18.165 7.181 -24.310 1.00 0.00 C ATOM 1830 OD1 ASP B 23 19.284 6.697 -24.353 1.00 0.00 O ATOM 1831 OD2 ASP B 23 17.696 7.892 -25.183 1.00 0.00 O ATOM 0 H ASP B 23 16.845 4.549 -23.961 1.00 0.00 H new ATOM 0 HA ASP B 23 18.903 5.733 -22.226 1.00 0.00 H new ATOM 0 HB2 ASP B 23 16.261 6.714 -23.398 1.00 0.00 H new ATOM 0 HB3 ASP B 23 17.299 7.714 -22.401 1.00 0.00 H new ATOM 1836 N LYS B 24 17.778 4.746 -20.140 1.00 0.00 N ATOM 1837 CA LYS B 24 17.176 4.508 -18.797 1.00 0.00 C ATOM 1838 C LYS B 24 17.133 5.818 -18.003 1.00 0.00 C ATOM 1839 O LYS B 24 16.194 6.085 -17.280 1.00 0.00 O ATOM 1840 CB LYS B 24 18.025 3.484 -18.034 1.00 0.00 C ATOM 1841 CG LYS B 24 17.862 2.107 -18.683 1.00 0.00 C ATOM 1842 CD LYS B 24 18.588 1.038 -17.857 1.00 0.00 C ATOM 1843 CE LYS B 24 20.093 1.323 -17.823 1.00 0.00 C ATOM 1844 NZ LYS B 24 20.823 0.073 -17.467 1.00 0.00 N ATOM 0 H LYS B 24 18.704 4.339 -20.273 1.00 0.00 H new ATOM 0 HA LYS B 24 16.162 4.130 -18.922 1.00 0.00 H new ATOM 0 HB2 LYS B 24 19.073 3.783 -18.046 1.00 0.00 H new ATOM 0 HB3 LYS B 24 17.717 3.445 -16.989 1.00 0.00 H new ATOM 0 HG2 LYS B 24 16.804 1.858 -18.762 1.00 0.00 H new ATOM 0 HG3 LYS B 24 18.262 2.126 -19.697 1.00 0.00 H new ATOM 0 HD2 LYS B 24 18.191 1.021 -16.842 1.00 0.00 H new ATOM 0 HD3 LYS B 24 18.407 0.052 -18.286 1.00 0.00 H new ATOM 0 HE2 LYS B 24 20.427 1.689 -18.794 1.00 0.00 H new ATOM 0 HE3 LYS B 24 20.310 2.105 -17.095 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 21.845 0.263 -17.443 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 20.510 -0.257 -16.532 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 20.624 -0.660 -18.178 1.00 0.00 H new ATOM 1858 N HIS B 25 18.157 6.626 -18.111 1.00 0.00 N ATOM 1859 CA HIS B 25 18.191 7.906 -17.339 1.00 0.00 C ATOM 1860 C HIS B 25 17.527 9.035 -18.132 1.00 0.00 C ATOM 1861 O HIS B 25 17.449 10.156 -17.671 1.00 0.00 O ATOM 1862 CB HIS B 25 19.647 8.290 -17.066 1.00 0.00 C ATOM 1863 CG HIS B 25 20.257 7.316 -16.097 1.00 0.00 C ATOM 1864 ND1 HIS B 25 20.763 6.088 -16.503 1.00 0.00 N ATOM 1865 CD2 HIS B 25 20.460 7.375 -14.740 1.00 0.00 C ATOM 1866 CE1 HIS B 25 21.241 5.465 -15.410 1.00 0.00 C ATOM 1867 NE2 HIS B 25 21.080 6.206 -14.313 1.00 0.00 N ATOM 0 H HIS B 25 18.972 6.455 -18.701 1.00 0.00 H new ATOM 0 HA HIS B 25 17.650 7.762 -16.404 1.00 0.00 H new ATOM 0 HB2 HIS B 25 20.213 8.293 -17.998 1.00 0.00 H new ATOM 0 HB3 HIS B 25 19.696 9.300 -16.660 1.00 0.00 H new ATOM 0 HD2 HIS B 25 20.181 8.201 -14.103 1.00 0.00 H new ATOM 0 HE1 HIS B 25 21.698 4.487 -15.420 1.00 0.00 H new ATOM 0 HE2 HIS B 25 21.354 5.966 -13.360 1.00 0.00 H new ATOM 1876 N LYS B 26 17.048 8.764 -19.317 1.00 0.00 N ATOM 1877 CA LYS B 26 16.397 9.848 -20.116 1.00 0.00 C ATOM 1878 C LYS B 26 15.293 9.260 -20.991 1.00 0.00 C ATOM 1879 O LYS B 26 15.293 8.092 -21.323 1.00 0.00 O ATOM 1880 CB LYS B 26 17.443 10.547 -20.985 1.00 0.00 C ATOM 1881 CG LYS B 26 16.774 11.669 -21.782 1.00 0.00 C ATOM 1882 CD LYS B 26 17.846 12.612 -22.332 1.00 0.00 C ATOM 1883 CE LYS B 26 18.795 11.841 -23.254 1.00 0.00 C ATOM 1884 NZ LYS B 26 18.010 10.937 -24.142 1.00 0.00 N ATOM 0 H LYS B 26 17.078 7.848 -19.765 1.00 0.00 H new ATOM 0 HA LYS B 26 15.954 10.577 -19.437 1.00 0.00 H new ATOM 0 HB2 LYS B 26 18.238 10.954 -20.360 1.00 0.00 H new ATOM 0 HB3 LYS B 26 17.906 9.830 -21.663 1.00 0.00 H new ATOM 0 HG2 LYS B 26 16.189 11.249 -22.600 1.00 0.00 H new ATOM 0 HG3 LYS B 26 16.082 12.220 -21.145 1.00 0.00 H new ATOM 0 HD2 LYS B 26 17.377 13.430 -22.880 1.00 0.00 H new ATOM 0 HD3 LYS B 26 18.406 13.059 -21.510 1.00 0.00 H new ATOM 0 HE2 LYS B 26 19.380 12.538 -23.854 1.00 0.00 H new ATOM 0 HE3 LYS B 26 19.501 11.260 -22.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 18.630 10.557 -24.886 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 17.621 10.152 -23.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 17.231 11.470 -24.579 1.00 0.00 H new ATOM 1898 N LEU B 27 14.336 10.076 -21.342 1.00 0.00 N ATOM 1899 CA LEU B 27 13.184 9.619 -22.179 1.00 0.00 C ATOM 1900 C LEU B 27 13.094 10.509 -23.427 1.00 0.00 C ATOM 1901 O LEU B 27 13.250 11.708 -23.344 1.00 0.00 O ATOM 1902 CB LEU B 27 11.909 9.756 -21.336 1.00 0.00 C ATOM 1903 CG LEU B 27 10.744 8.978 -21.971 1.00 0.00 C ATOM 1904 CD1 LEU B 27 10.858 7.476 -21.642 1.00 0.00 C ATOM 1905 CD2 LEU B 27 9.414 9.518 -21.421 1.00 0.00 C ATOM 0 H LEU B 27 14.302 11.061 -21.079 1.00 0.00 H new ATOM 0 HA LEU B 27 13.311 8.583 -22.494 1.00 0.00 H new ATOM 0 HB2 LEU B 27 12.093 9.384 -20.328 1.00 0.00 H new ATOM 0 HB3 LEU B 27 11.641 10.808 -21.243 1.00 0.00 H new ATOM 0 HG LEU B 27 10.781 9.107 -23.053 1.00 0.00 H new ATOM 0 HD11 LEU B 27 10.026 6.939 -22.098 1.00 0.00 H new ATOM 0 HD12 LEU B 27 11.799 7.088 -22.033 1.00 0.00 H new ATOM 0 HD13 LEU B 27 10.830 7.337 -20.561 1.00 0.00 H new ATOM 0 HD21 LEU B 27 8.585 8.969 -21.869 1.00 0.00 H new ATOM 0 HD22 LEU B 27 9.390 9.392 -20.339 1.00 0.00 H new ATOM 0 HD23 LEU B 27 9.322 10.576 -21.665 1.00 0.00 H new ATOM 1917 N LYS B 28 12.870 9.934 -24.588 1.00 0.00 N ATOM 1918 CA LYS B 28 12.796 10.749 -25.845 1.00 0.00 C ATOM 1919 C LYS B 28 11.343 10.851 -26.327 1.00 0.00 C ATOM 1920 O LYS B 28 10.533 9.984 -26.064 1.00 0.00 O ATOM 1921 CB LYS B 28 13.642 10.055 -26.915 1.00 0.00 C ATOM 1922 CG LYS B 28 13.719 10.927 -28.166 1.00 0.00 C ATOM 1923 CD LYS B 28 14.568 10.218 -29.223 1.00 0.00 C ATOM 1924 CE LYS B 28 14.658 11.092 -30.474 1.00 0.00 C ATOM 1925 NZ LYS B 28 15.186 12.434 -30.100 1.00 0.00 N ATOM 0 H LYS B 28 12.735 8.931 -24.719 1.00 0.00 H new ATOM 0 HA LYS B 28 13.169 11.755 -25.655 1.00 0.00 H new ATOM 0 HB2 LYS B 28 14.645 9.866 -26.531 1.00 0.00 H new ATOM 0 HB3 LYS B 28 13.207 9.087 -27.163 1.00 0.00 H new ATOM 0 HG2 LYS B 28 12.718 11.117 -28.554 1.00 0.00 H new ATOM 0 HG3 LYS B 28 14.155 11.896 -27.922 1.00 0.00 H new ATOM 0 HD2 LYS B 28 15.566 10.021 -28.831 1.00 0.00 H new ATOM 0 HD3 LYS B 28 14.127 9.253 -29.472 1.00 0.00 H new ATOM 0 HE2 LYS B 28 15.310 10.625 -31.212 1.00 0.00 H new ATOM 0 HE3 LYS B 28 13.675 11.191 -30.934 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 15.580 12.899 -30.943 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 14.415 13.015 -29.713 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 15.932 12.326 -29.383 1.00 0.00 H new ATOM 1939 N LYS B 29 11.004 11.902 -27.043 1.00 0.00 N ATOM 1940 CA LYS B 29 9.609 12.050 -27.550 1.00 0.00 C ATOM 1941 C LYS B 29 9.171 10.726 -28.169 1.00 0.00 C ATOM 1942 O LYS B 29 7.999 10.429 -28.280 1.00 0.00 O ATOM 1943 CB LYS B 29 9.559 13.160 -28.618 1.00 0.00 C ATOM 1944 CG LYS B 29 10.225 12.699 -29.945 1.00 0.00 C ATOM 1945 CD LYS B 29 9.154 12.279 -30.966 1.00 0.00 C ATOM 1946 CE LYS B 29 9.803 11.485 -32.102 1.00 0.00 C ATOM 1947 NZ LYS B 29 8.879 11.452 -33.272 1.00 0.00 N ATOM 0 H LYS B 29 11.638 12.661 -27.295 1.00 0.00 H new ATOM 0 HA LYS B 29 8.943 12.317 -26.729 1.00 0.00 H new ATOM 0 HB2 LYS B 29 8.522 13.439 -28.807 1.00 0.00 H new ATOM 0 HB3 LYS B 29 10.066 14.050 -28.244 1.00 0.00 H new ATOM 0 HG2 LYS B 29 10.830 13.507 -30.355 1.00 0.00 H new ATOM 0 HG3 LYS B 29 10.898 11.864 -29.750 1.00 0.00 H new ATOM 0 HD2 LYS B 29 8.390 11.674 -30.477 1.00 0.00 H new ATOM 0 HD3 LYS B 29 8.654 13.161 -31.366 1.00 0.00 H new ATOM 0 HE2 LYS B 29 10.751 11.943 -32.386 1.00 0.00 H new ATOM 0 HE3 LYS B 29 10.025 10.471 -31.771 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 8.733 10.467 -33.571 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 7.966 11.872 -33.005 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 9.293 11.995 -34.057 1.00 0.00 H new ATOM 1961 N SER B 30 10.121 9.935 -28.573 1.00 0.00 N ATOM 1962 CA SER B 30 9.785 8.619 -29.191 1.00 0.00 C ATOM 1963 C SER B 30 9.388 7.638 -28.091 1.00 0.00 C ATOM 1964 O SER B 30 8.370 6.979 -28.168 1.00 0.00 O ATOM 1965 CB SER B 30 11.000 8.080 -29.947 1.00 0.00 C ATOM 1966 OG SER B 30 12.043 7.806 -29.022 1.00 0.00 O ATOM 0 H SER B 30 11.118 10.140 -28.503 1.00 0.00 H new ATOM 0 HA SER B 30 8.957 8.742 -29.889 1.00 0.00 H new ATOM 0 HB2 SER B 30 10.732 7.174 -30.490 1.00 0.00 H new ATOM 0 HB3 SER B 30 11.335 8.808 -30.686 1.00 0.00 H new ATOM 0 HG SER B 30 11.964 6.882 -28.704 1.00 0.00 H new ATOM 1972 N GLU B 31 10.174 7.555 -27.057 1.00 0.00 N ATOM 1973 CA GLU B 31 9.834 6.641 -25.938 1.00 0.00 C ATOM 1974 C GLU B 31 8.583 7.176 -25.247 1.00 0.00 C ATOM 1975 O GLU B 31 7.742 6.430 -24.795 1.00 0.00 O ATOM 1976 CB GLU B 31 10.996 6.593 -24.946 1.00 0.00 C ATOM 1977 CG GLU B 31 12.175 5.856 -25.578 1.00 0.00 C ATOM 1978 CD GLU B 31 13.380 5.922 -24.637 1.00 0.00 C ATOM 1979 OE1 GLU B 31 14.075 6.924 -24.666 1.00 0.00 O ATOM 1980 OE2 GLU B 31 13.586 4.970 -23.903 1.00 0.00 O ATOM 0 H GLU B 31 11.039 8.082 -26.939 1.00 0.00 H new ATOM 0 HA GLU B 31 9.651 5.634 -26.313 1.00 0.00 H new ATOM 0 HB2 GLU B 31 11.293 7.604 -24.668 1.00 0.00 H new ATOM 0 HB3 GLU B 31 10.686 6.088 -24.031 1.00 0.00 H new ATOM 0 HG2 GLU B 31 11.907 4.817 -25.771 1.00 0.00 H new ATOM 0 HG3 GLU B 31 12.425 6.305 -26.539 1.00 0.00 H new ATOM 1987 N LEU B 32 8.468 8.472 -25.164 1.00 0.00 N ATOM 1988 CA LEU B 32 7.282 9.087 -24.507 1.00 0.00 C ATOM 1989 C LEU B 32 6.008 8.667 -25.232 1.00 0.00 C ATOM 1990 O LEU B 32 5.021 8.358 -24.615 1.00 0.00 O ATOM 1991 CB LEU B 32 7.410 10.613 -24.556 1.00 0.00 C ATOM 1992 CG LEU B 32 6.164 11.284 -23.953 1.00 0.00 C ATOM 1993 CD1 LEU B 32 5.908 10.766 -22.530 1.00 0.00 C ATOM 1994 CD2 LEU B 32 6.394 12.798 -23.911 1.00 0.00 C ATOM 0 H LEU B 32 9.151 9.137 -25.527 1.00 0.00 H new ATOM 0 HA LEU B 32 7.233 8.751 -23.471 1.00 0.00 H new ATOM 0 HB2 LEU B 32 8.299 10.926 -24.008 1.00 0.00 H new ATOM 0 HB3 LEU B 32 7.541 10.939 -25.588 1.00 0.00 H new ATOM 0 HG LEU B 32 5.295 11.049 -24.568 1.00 0.00 H new ATOM 0 HD11 LEU B 32 5.023 11.252 -22.120 1.00 0.00 H new ATOM 0 HD12 LEU B 32 5.750 9.688 -22.558 1.00 0.00 H new ATOM 0 HD13 LEU B 32 6.769 10.990 -21.901 1.00 0.00 H new ATOM 0 HD21 LEU B 32 5.518 13.287 -23.485 1.00 0.00 H new ATOM 0 HD22 LEU B 32 7.267 13.017 -23.295 1.00 0.00 H new ATOM 0 HD23 LEU B 32 6.561 13.169 -24.922 1.00 0.00 H new ATOM 2006 N LYS B 33 6.011 8.678 -26.535 1.00 0.00 N ATOM 2007 CA LYS B 33 4.778 8.294 -27.287 1.00 0.00 C ATOM 2008 C LYS B 33 4.385 6.848 -26.988 1.00 0.00 C ATOM 2009 O LYS B 33 3.218 6.527 -26.872 1.00 0.00 O ATOM 2010 CB LYS B 33 5.019 8.446 -28.791 1.00 0.00 C ATOM 2011 CG LYS B 33 3.730 8.112 -29.552 1.00 0.00 C ATOM 2012 CD LYS B 33 3.962 8.281 -31.049 1.00 0.00 C ATOM 2013 CE LYS B 33 2.662 7.986 -31.800 1.00 0.00 C ATOM 2014 NZ LYS B 33 2.306 6.550 -31.627 1.00 0.00 N ATOM 0 H LYS B 33 6.811 8.935 -27.114 1.00 0.00 H new ATOM 0 HA LYS B 33 3.969 8.952 -26.971 1.00 0.00 H new ATOM 0 HB2 LYS B 33 5.335 9.464 -29.018 1.00 0.00 H new ATOM 0 HB3 LYS B 33 5.824 7.784 -29.110 1.00 0.00 H new ATOM 0 HG2 LYS B 33 3.422 7.089 -29.335 1.00 0.00 H new ATOM 0 HG3 LYS B 33 2.922 8.765 -29.223 1.00 0.00 H new ATOM 0 HD2 LYS B 33 4.297 9.296 -31.264 1.00 0.00 H new ATOM 0 HD3 LYS B 33 4.750 7.607 -31.385 1.00 0.00 H new ATOM 0 HE2 LYS B 33 1.859 8.619 -31.422 1.00 0.00 H new ATOM 0 HE3 LYS B 33 2.780 8.218 -32.858 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 1.621 6.272 -32.358 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 3.163 5.967 -31.715 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 1.886 6.407 -30.687 1.00 0.00 H new ATOM 2028 N GLU B 34 5.334 5.964 -26.894 1.00 0.00 N ATOM 2029 CA GLU B 34 4.988 4.545 -26.641 1.00 0.00 C ATOM 2030 C GLU B 34 4.429 4.422 -25.229 1.00 0.00 C ATOM 2031 O GLU B 34 3.560 3.632 -24.962 1.00 0.00 O ATOM 2032 CB GLU B 34 6.236 3.667 -26.819 1.00 0.00 C ATOM 2033 CG GLU B 34 5.825 2.247 -27.242 1.00 0.00 C ATOM 2034 CD GLU B 34 5.529 2.222 -28.745 1.00 0.00 C ATOM 2035 OE1 GLU B 34 5.302 3.284 -29.302 1.00 0.00 O ATOM 2036 OE2 GLU B 34 5.533 1.142 -29.312 1.00 0.00 O ATOM 0 H GLU B 34 6.331 6.163 -26.981 1.00 0.00 H new ATOM 0 HA GLU B 34 4.234 4.206 -27.352 1.00 0.00 H new ATOM 0 HB2 GLU B 34 6.893 4.103 -27.571 1.00 0.00 H new ATOM 0 HB3 GLU B 34 6.800 3.629 -25.887 1.00 0.00 H new ATOM 0 HG2 GLU B 34 6.622 1.542 -27.007 1.00 0.00 H new ATOM 0 HG3 GLU B 34 4.944 1.931 -26.683 1.00 0.00 H new ATOM 2043 N LEU B 35 4.916 5.208 -24.326 1.00 0.00 N ATOM 2044 CA LEU B 35 4.389 5.156 -22.942 1.00 0.00 C ATOM 2045 C LEU B 35 2.937 5.625 -22.946 1.00 0.00 C ATOM 2046 O LEU B 35 2.062 4.974 -22.437 1.00 0.00 O ATOM 2047 CB LEU B 35 5.236 6.084 -22.062 1.00 0.00 C ATOM 2048 CG LEU B 35 4.578 6.262 -20.666 1.00 0.00 C ATOM 2049 CD1 LEU B 35 5.659 6.294 -19.579 1.00 0.00 C ATOM 2050 CD2 LEU B 35 3.779 7.578 -20.607 1.00 0.00 C ATOM 0 H LEU B 35 5.659 5.888 -24.484 1.00 0.00 H new ATOM 0 HA LEU B 35 4.436 4.139 -22.552 1.00 0.00 H new ATOM 0 HB2 LEU B 35 6.238 5.671 -21.948 1.00 0.00 H new ATOM 0 HB3 LEU B 35 5.344 7.055 -22.546 1.00 0.00 H new ATOM 0 HG LEU B 35 3.904 5.422 -20.499 1.00 0.00 H new ATOM 0 HD11 LEU B 35 5.190 6.419 -18.603 1.00 0.00 H new ATOM 0 HD12 LEU B 35 6.219 5.359 -19.595 1.00 0.00 H new ATOM 0 HD13 LEU B 35 6.337 7.127 -19.765 1.00 0.00 H new ATOM 0 HD21 LEU B 35 3.326 7.685 -19.621 1.00 0.00 H new ATOM 0 HD22 LEU B 35 4.448 8.418 -20.791 1.00 0.00 H new ATOM 0 HD23 LEU B 35 2.997 7.563 -21.366 1.00 0.00 H new ATOM 2062 N ILE B 36 2.683 6.763 -23.513 1.00 0.00 N ATOM 2063 CA ILE B 36 1.296 7.307 -23.532 1.00 0.00 C ATOM 2064 C ILE B 36 0.384 6.495 -24.453 1.00 0.00 C ATOM 2065 O ILE B 36 -0.759 6.235 -24.135 1.00 0.00 O ATOM 2066 CB ILE B 36 1.347 8.749 -24.036 1.00 0.00 C ATOM 2067 CG1 ILE B 36 2.207 9.596 -23.088 1.00 0.00 C ATOM 2068 CG2 ILE B 36 -0.068 9.319 -24.094 1.00 0.00 C ATOM 2069 CD1 ILE B 36 2.452 10.986 -23.692 1.00 0.00 C ATOM 0 H ILE B 36 3.381 7.349 -23.970 1.00 0.00 H new ATOM 0 HA ILE B 36 0.891 7.255 -22.521 1.00 0.00 H new ATOM 0 HB ILE B 36 1.786 8.769 -25.034 1.00 0.00 H new ATOM 0 HG12 ILE B 36 1.709 9.694 -22.123 1.00 0.00 H new ATOM 0 HG13 ILE B 36 3.159 9.098 -22.906 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -0.032 10.347 -24.453 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -0.675 8.719 -24.772 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -0.510 9.298 -23.098 1.00 0.00 H new ATOM 0 HD11 ILE B 36 3.063 11.577 -23.010 1.00 0.00 H new ATOM 0 HD12 ILE B 36 2.970 10.882 -24.646 1.00 0.00 H new ATOM 0 HD13 ILE B 36 1.497 11.487 -23.850 1.00 0.00 H new ATOM 2081 N ASN B 37 0.863 6.129 -25.604 1.00 0.00 N ATOM 2082 CA ASN B 37 0.007 5.374 -26.562 1.00 0.00 C ATOM 2083 C ASN B 37 -0.279 3.949 -26.084 1.00 0.00 C ATOM 2084 O ASN B 37 -1.359 3.426 -26.278 1.00 0.00 O ATOM 2085 CB ASN B 37 0.714 5.309 -27.917 1.00 0.00 C ATOM 2086 CG ASN B 37 -0.248 4.760 -28.970 1.00 0.00 C ATOM 2087 OD1 ASN B 37 -1.031 5.584 -29.612 1.00 0.00 O flip ATOM 2088 ND2 ASN B 37 -0.290 3.570 -29.210 1.00 0.00 N flip ATOM 0 H ASN B 37 1.812 6.319 -25.926 1.00 0.00 H new ATOM 0 HA ASN B 37 -0.946 5.898 -26.640 1.00 0.00 H new ATOM 0 HB2 ASN B 37 1.059 6.302 -28.207 1.00 0.00 H new ATOM 0 HB3 ASN B 37 1.596 4.672 -27.848 1.00 0.00 H new ATOM 0 HD21 ASN B 37 0.322 2.927 -28.708 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -0.937 3.214 -29.913 1.00 0.00 H new ATOM 2095 N ASN B 38 0.696 3.298 -25.522 1.00 0.00 N ATOM 2096 CA ASN B 38 0.512 1.870 -25.094 1.00 0.00 C ATOM 2097 C ASN B 38 0.197 1.741 -23.605 1.00 0.00 C ATOM 2098 O ASN B 38 -0.615 0.927 -23.213 1.00 0.00 O ATOM 2099 CB ASN B 38 1.794 1.096 -25.399 1.00 0.00 C ATOM 2100 CG ASN B 38 2.094 1.199 -26.892 1.00 0.00 C ATOM 2101 OD1 ASN B 38 1.354 1.976 -27.633 1.00 0.00 O flip ATOM 2102 ND2 ASN B 38 3.011 0.575 -27.387 1.00 0.00 N flip ATOM 0 H ASN B 38 1.620 3.688 -25.336 1.00 0.00 H new ATOM 0 HA ASN B 38 -0.337 1.466 -25.645 1.00 0.00 H new ATOM 0 HB2 ASN B 38 2.624 1.500 -24.820 1.00 0.00 H new ATOM 0 HB3 ASN B 38 1.681 0.051 -25.109 1.00 0.00 H new ATOM 0 HD21 ASN B 38 3.588 -0.032 -26.805 1.00 0.00 H new ATOM 0 HD22 ASN B 38 3.204 0.658 -28.385 1.00 0.00 H new ATOM 2109 N GLU B 39 0.823 2.508 -22.760 1.00 0.00 N ATOM 2110 CA GLU B 39 0.519 2.360 -21.310 1.00 0.00 C ATOM 2111 C GLU B 39 -0.888 2.883 -21.064 1.00 0.00 C ATOM 2112 O GLU B 39 -1.602 2.395 -20.210 1.00 0.00 O ATOM 2113 CB GLU B 39 1.509 3.152 -20.443 1.00 0.00 C ATOM 2114 CG GLU B 39 1.314 2.768 -18.978 1.00 0.00 C ATOM 2115 CD GLU B 39 2.299 3.559 -18.118 1.00 0.00 C ATOM 2116 OE1 GLU B 39 3.247 4.090 -18.671 1.00 0.00 O ATOM 2117 OE2 GLU B 39 2.090 3.619 -16.921 1.00 0.00 O ATOM 0 H GLU B 39 1.517 3.216 -23.001 1.00 0.00 H new ATOM 0 HA GLU B 39 0.603 1.308 -21.038 1.00 0.00 H new ATOM 0 HB2 GLU B 39 2.532 2.941 -20.753 1.00 0.00 H new ATOM 0 HB3 GLU B 39 1.351 4.222 -20.575 1.00 0.00 H new ATOM 0 HG2 GLU B 39 0.291 2.978 -18.667 1.00 0.00 H new ATOM 0 HG3 GLU B 39 1.474 1.698 -18.845 1.00 0.00 H new ATOM 2124 N LEU B 40 -1.278 3.898 -21.799 1.00 0.00 N ATOM 2125 CA LEU B 40 -2.633 4.508 -21.613 1.00 0.00 C ATOM 2126 C LEU B 40 -3.440 4.402 -22.915 1.00 0.00 C ATOM 2127 O LEU B 40 -4.126 5.327 -23.304 1.00 0.00 O ATOM 2128 CB LEU B 40 -2.474 5.995 -21.221 1.00 0.00 C ATOM 2129 CG LEU B 40 -1.173 6.230 -20.428 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -0.996 7.734 -20.172 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -1.231 5.501 -19.078 1.00 0.00 C ATOM 0 H LEU B 40 -0.710 4.333 -22.526 1.00 0.00 H new ATOM 0 HA LEU B 40 -3.163 3.975 -20.824 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -2.471 6.612 -22.120 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -3.329 6.309 -20.622 1.00 0.00 H new ATOM 0 HG LEU B 40 -0.335 5.845 -21.009 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.076 7.902 -19.611 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -0.942 8.261 -21.124 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -1.844 8.108 -19.598 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -0.305 5.676 -18.530 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.073 5.877 -18.497 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -1.355 4.431 -19.247 1.00 0.00 H new ATOM 2143 N SER B 41 -3.362 3.292 -23.593 1.00 0.00 N ATOM 2144 CA SER B 41 -4.124 3.149 -24.865 1.00 0.00 C ATOM 2145 C SER B 41 -5.628 3.294 -24.603 1.00 0.00 C ATOM 2146 O SER B 41 -6.307 4.055 -25.265 1.00 0.00 O ATOM 2147 CB SER B 41 -3.851 1.770 -25.463 1.00 0.00 C ATOM 2148 OG SER B 41 -4.468 1.682 -26.741 1.00 0.00 O ATOM 0 H SER B 41 -2.806 2.480 -23.323 1.00 0.00 H new ATOM 0 HA SER B 41 -3.806 3.928 -25.558 1.00 0.00 H new ATOM 0 HB2 SER B 41 -2.777 1.606 -25.553 1.00 0.00 H new ATOM 0 HB3 SER B 41 -4.238 0.992 -24.805 1.00 0.00 H new ATOM 0 HG SER B 41 -4.294 0.799 -27.128 1.00 0.00 H new ATOM 2154 N HIS B 42 -6.155 2.562 -23.650 1.00 0.00 N ATOM 2155 CA HIS B 42 -7.623 2.640 -23.347 1.00 0.00 C ATOM 2156 C HIS B 42 -7.855 3.351 -22.010 1.00 0.00 C ATOM 2157 O HIS B 42 -8.923 3.869 -21.752 1.00 0.00 O ATOM 2158 CB HIS B 42 -8.185 1.218 -23.263 1.00 0.00 C ATOM 2159 CG HIS B 42 -9.660 1.272 -22.968 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -10.175 0.998 -21.708 1.00 0.00 N ATOM 2161 CD2 HIS B 42 -10.744 1.563 -23.760 1.00 0.00 C ATOM 2162 CE1 HIS B 42 -11.513 1.128 -21.779 1.00 0.00 C ATOM 2163 NE2 HIS B 42 -11.908 1.471 -23.005 1.00 0.00 N ATOM 0 H HIS B 42 -5.630 1.911 -23.066 1.00 0.00 H new ATOM 0 HA HIS B 42 -8.123 3.202 -24.136 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -8.011 0.692 -24.202 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -7.669 0.658 -22.483 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -10.699 1.823 -24.807 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -12.183 0.974 -20.946 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -12.864 1.632 -23.323 1.00 0.00 H new ATOM 2172 N PHE B 43 -6.875 3.370 -21.152 1.00 0.00 N ATOM 2173 CA PHE B 43 -7.060 4.035 -19.830 1.00 0.00 C ATOM 2174 C PHE B 43 -7.152 5.558 -20.002 1.00 0.00 C ATOM 2175 O PHE B 43 -7.803 6.231 -19.228 1.00 0.00 O ATOM 2176 CB PHE B 43 -5.894 3.663 -18.904 1.00 0.00 C ATOM 2177 CG PHE B 43 -5.888 4.528 -17.649 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -7.075 4.783 -16.939 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -4.679 5.077 -17.196 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -7.046 5.583 -15.790 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -4.656 5.875 -16.045 1.00 0.00 C ATOM 2182 CZ PHE B 43 -5.838 6.129 -15.344 1.00 0.00 C ATOM 0 H PHE B 43 -5.956 2.956 -21.307 1.00 0.00 H new ATOM 0 HA PHE B 43 -7.993 3.691 -19.383 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -5.970 2.612 -18.624 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -4.951 3.784 -19.436 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -8.009 4.362 -17.280 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -3.764 4.884 -17.736 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -7.959 5.779 -15.247 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -3.723 6.295 -15.699 1.00 0.00 H new ATOM 0 HZ PHE B 43 -5.819 6.747 -14.458 1.00 0.00 H new ATOM 2192 N LEU B 44 -6.504 6.109 -21.002 1.00 0.00 N ATOM 2193 CA LEU B 44 -6.554 7.593 -21.216 1.00 0.00 C ATOM 2194 C LEU B 44 -6.771 7.880 -22.705 1.00 0.00 C ATOM 2195 O LEU B 44 -7.482 7.168 -23.385 1.00 0.00 O ATOM 2196 CB LEU B 44 -5.231 8.218 -20.752 1.00 0.00 C ATOM 2197 CG LEU B 44 -5.411 9.729 -20.470 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -5.860 9.949 -19.019 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -4.079 10.458 -20.696 1.00 0.00 C ATOM 0 H LEU B 44 -5.942 5.595 -21.680 1.00 0.00 H new ATOM 0 HA LEU B 44 -7.375 8.023 -20.642 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.881 7.714 -19.851 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -4.467 8.074 -21.516 1.00 0.00 H new ATOM 0 HG LEU B 44 -6.170 10.122 -21.146 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -5.983 11.016 -18.834 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -6.809 9.440 -18.851 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.107 9.547 -18.340 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.208 11.522 -20.497 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.323 10.052 -20.023 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.758 10.318 -21.728 1.00 0.00 H new ATOM 2211 N GLU B 45 -6.174 8.926 -23.214 1.00 0.00 N ATOM 2212 CA GLU B 45 -6.357 9.273 -24.653 1.00 0.00 C ATOM 2213 C GLU B 45 -5.214 8.690 -25.488 1.00 0.00 C ATOM 2214 O GLU B 45 -4.092 9.152 -25.432 1.00 0.00 O ATOM 2215 CB GLU B 45 -6.362 10.800 -24.788 1.00 0.00 C ATOM 2216 CG GLU B 45 -6.574 11.202 -26.251 1.00 0.00 C ATOM 2217 CD GLU B 45 -6.576 12.728 -26.360 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -6.606 13.375 -25.326 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -6.544 13.223 -27.474 1.00 0.00 O ATOM 0 H GLU B 45 -5.565 9.557 -22.692 1.00 0.00 H new ATOM 0 HA GLU B 45 -7.298 8.857 -25.013 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -7.152 11.224 -24.169 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -5.419 11.207 -24.425 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -5.784 10.782 -26.874 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -7.518 10.798 -26.618 1.00 0.00 H new ATOM 2226 N GLU B 46 -5.498 7.697 -26.285 1.00 0.00 N ATOM 2227 CA GLU B 46 -4.434 7.107 -27.149 1.00 0.00 C ATOM 2228 C GLU B 46 -4.024 8.154 -28.189 1.00 0.00 C ATOM 2229 O GLU B 46 -4.827 8.954 -28.623 1.00 0.00 O ATOM 2230 CB GLU B 46 -4.975 5.866 -27.866 1.00 0.00 C ATOM 2231 CG GLU B 46 -3.867 5.232 -28.716 1.00 0.00 C ATOM 2232 CD GLU B 46 -4.421 4.005 -29.444 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -5.587 3.703 -29.251 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -3.671 3.391 -30.184 1.00 0.00 O ATOM 0 H GLU B 46 -6.419 7.268 -26.376 1.00 0.00 H new ATOM 0 HA GLU B 46 -3.577 6.819 -26.540 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -5.344 5.145 -27.136 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -5.820 6.140 -28.498 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -3.488 5.956 -29.438 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -3.028 4.944 -28.083 1.00 0.00 H new ATOM 2241 N ILE B 47 -2.781 8.163 -28.589 1.00 0.00 N ATOM 2242 CA ILE B 47 -2.320 9.166 -29.598 1.00 0.00 C ATOM 2243 C ILE B 47 -2.372 8.558 -30.998 1.00 0.00 C ATOM 2244 O ILE B 47 -2.091 7.391 -31.190 1.00 0.00 O ATOM 2245 CB ILE B 47 -0.891 9.583 -29.279 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -0.794 9.851 -27.772 1.00 0.00 C ATOM 2247 CG2 ILE B 47 -0.512 10.856 -30.082 1.00 0.00 C ATOM 2248 CD1 ILE B 47 0.574 10.435 -27.455 1.00 0.00 C ATOM 0 H ILE B 47 -2.062 7.518 -28.261 1.00 0.00 H new ATOM 0 HA ILE B 47 -2.974 10.037 -29.562 1.00 0.00 H new ATOM 0 HB ILE B 47 -0.197 8.791 -29.560 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -1.578 10.542 -27.462 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -0.946 8.926 -27.216 1.00 0.00 H new ATOM 0 HG21 ILE B 47 0.512 11.144 -29.845 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -0.594 10.651 -31.149 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -1.188 11.669 -29.816 1.00 0.00 H new ATOM 0 HD11 ILE B 47 0.648 10.627 -26.385 1.00 0.00 H new ATOM 0 HD12 ILE B 47 1.349 9.728 -27.751 1.00 0.00 H new ATOM 0 HD13 ILE B 47 0.707 11.369 -28.002 1.00 0.00 H new ATOM 2260 N LYS B 48 -2.751 9.344 -31.973 1.00 0.00 N ATOM 2261 CA LYS B 48 -2.855 8.838 -33.375 1.00 0.00 C ATOM 2262 C LYS B 48 -1.816 9.529 -34.268 1.00 0.00 C ATOM 2263 O LYS B 48 -1.489 9.043 -35.333 1.00 0.00 O ATOM 2264 CB LYS B 48 -4.272 9.142 -33.885 1.00 0.00 C ATOM 2265 CG LYS B 48 -5.299 8.902 -32.749 1.00 0.00 C ATOM 2266 CD LYS B 48 -5.613 10.213 -32.015 1.00 0.00 C ATOM 2267 CE LYS B 48 -6.702 9.957 -30.974 1.00 0.00 C ATOM 2268 NZ LYS B 48 -7.985 9.639 -31.664 1.00 0.00 N ATOM 0 H LYS B 48 -2.996 10.327 -31.856 1.00 0.00 H new ATOM 0 HA LYS B 48 -2.664 7.765 -33.402 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -4.331 10.174 -34.230 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -4.505 8.507 -34.740 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -6.216 8.483 -33.164 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -4.904 8.170 -32.044 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -4.715 10.598 -31.532 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -5.943 10.971 -32.725 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -6.412 9.131 -30.324 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -6.826 10.834 -30.339 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -8.765 9.665 -30.976 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -8.160 10.340 -32.412 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -7.927 8.690 -32.085 1.00 0.00 H new ATOM 2282 N GLU B 49 -1.301 10.662 -33.848 1.00 0.00 N ATOM 2283 CA GLU B 49 -0.286 11.396 -34.674 1.00 0.00 C ATOM 2284 C GLU B 49 0.932 11.765 -33.830 1.00 0.00 C ATOM 2285 O GLU B 49 0.837 12.028 -32.647 1.00 0.00 O ATOM 2286 CB GLU B 49 -0.915 12.673 -35.234 1.00 0.00 C ATOM 2287 CG GLU B 49 -1.941 12.295 -36.295 1.00 0.00 C ATOM 2288 CD GLU B 49 -2.760 13.522 -36.697 1.00 0.00 C ATOM 2289 OE1 GLU B 49 -2.548 14.569 -36.113 1.00 0.00 O ATOM 2290 OE2 GLU B 49 -3.597 13.389 -37.574 1.00 0.00 O ATOM 0 H GLU B 49 -1.541 11.112 -32.965 1.00 0.00 H new ATOM 0 HA GLU B 49 0.035 10.747 -35.489 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -1.391 13.240 -34.434 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -0.146 13.314 -35.665 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -1.436 11.883 -37.169 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -2.602 11.517 -35.912 1.00 0.00 H new ATOM 2297 N GLN B 50 2.078 11.803 -34.450 1.00 0.00 N ATOM 2298 CA GLN B 50 3.325 12.172 -33.728 1.00 0.00 C ATOM 2299 C GLN B 50 3.262 13.654 -33.374 1.00 0.00 C ATOM 2300 O GLN B 50 3.913 14.107 -32.460 1.00 0.00 O ATOM 2301 CB GLN B 50 4.527 11.949 -34.654 1.00 0.00 C ATOM 2302 CG GLN B 50 4.750 10.454 -34.888 1.00 0.00 C ATOM 2303 CD GLN B 50 5.260 9.787 -33.609 1.00 0.00 C ATOM 2304 OE1 GLN B 50 5.130 8.591 -33.448 1.00 0.00 O ATOM 2305 NE2 GLN B 50 5.833 10.509 -32.683 1.00 0.00 N ATOM 0 H GLN B 50 2.204 11.591 -35.440 1.00 0.00 H new ATOM 0 HA GLN B 50 3.426 11.565 -32.828 1.00 0.00 H new ATOM 0 HB2 GLN B 50 4.358 12.451 -35.606 1.00 0.00 H new ATOM 0 HB3 GLN B 50 5.420 12.392 -34.214 1.00 0.00 H new ATOM 0 HG2 GLN B 50 3.818 9.985 -35.204 1.00 0.00 H new ATOM 0 HG3 GLN B 50 5.469 10.308 -35.694 1.00 0.00 H new ATOM 0 HE21 GLN B 50 5.944 11.514 -32.816 1.00 0.00 H new ATOM 0 HE22 GLN B 50 6.170 10.067 -31.827 1.00 0.00 H new ATOM 2314 N GLU B 51 2.505 14.415 -34.116 1.00 0.00 N ATOM 2315 CA GLU B 51 2.420 15.883 -33.847 1.00 0.00 C ATOM 2316 C GLU B 51 1.881 16.158 -32.447 1.00 0.00 C ATOM 2317 O GLU B 51 2.331 17.057 -31.773 1.00 0.00 O ATOM 2318 CB GLU B 51 1.502 16.538 -34.883 1.00 0.00 C ATOM 2319 CG GLU B 51 0.040 16.190 -34.576 1.00 0.00 C ATOM 2320 CD GLU B 51 -0.823 16.485 -35.803 1.00 0.00 C ATOM 2321 OE1 GLU B 51 -0.495 15.984 -36.866 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -1.797 17.205 -35.660 1.00 0.00 O ATOM 0 H GLU B 51 1.940 14.085 -34.899 1.00 0.00 H new ATOM 0 HA GLU B 51 3.424 16.302 -33.916 1.00 0.00 H new ATOM 0 HB2 GLU B 51 1.638 17.619 -34.871 1.00 0.00 H new ATOM 0 HB3 GLU B 51 1.765 16.195 -35.884 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -0.045 15.138 -34.303 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -0.312 16.770 -33.723 1.00 0.00 H new ATOM 2329 N VAL B 52 0.910 15.416 -32.007 1.00 0.00 N ATOM 2330 CA VAL B 52 0.351 15.671 -30.657 1.00 0.00 C ATOM 2331 C VAL B 52 1.447 15.493 -29.634 1.00 0.00 C ATOM 2332 O VAL B 52 1.549 16.228 -28.678 1.00 0.00 O ATOM 2333 CB VAL B 52 -0.785 14.686 -30.390 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -1.239 14.789 -28.932 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -1.957 14.993 -31.319 1.00 0.00 C ATOM 0 H VAL B 52 0.481 14.647 -32.521 1.00 0.00 H new ATOM 0 HA VAL B 52 -0.039 16.687 -30.594 1.00 0.00 H new ATOM 0 HB VAL B 52 -0.430 13.673 -30.578 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -2.049 14.082 -28.752 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -0.402 14.557 -28.273 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -1.589 15.801 -28.731 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -2.767 14.289 -31.127 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -2.308 16.009 -31.138 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -1.633 14.900 -32.356 1.00 0.00 H new ATOM 2345 N VAL B 53 2.257 14.515 -29.827 1.00 0.00 N ATOM 2346 CA VAL B 53 3.355 14.262 -28.875 1.00 0.00 C ATOM 2347 C VAL B 53 4.339 15.415 -28.916 1.00 0.00 C ATOM 2348 O VAL B 53 4.848 15.823 -27.911 1.00 0.00 O ATOM 2349 CB VAL B 53 4.050 12.968 -29.271 1.00 0.00 C ATOM 2350 CG1 VAL B 53 5.199 12.674 -28.312 1.00 0.00 C ATOM 2351 CG2 VAL B 53 3.037 11.828 -29.219 1.00 0.00 C ATOM 0 H VAL B 53 2.209 13.868 -30.614 1.00 0.00 H new ATOM 0 HA VAL B 53 2.962 14.174 -27.862 1.00 0.00 H new ATOM 0 HB VAL B 53 4.451 13.066 -30.280 1.00 0.00 H new ATOM 0 HG11 VAL B 53 5.689 11.746 -28.605 1.00 0.00 H new ATOM 0 HG12 VAL B 53 5.920 13.491 -28.346 1.00 0.00 H new ATOM 0 HG13 VAL B 53 4.811 12.575 -27.298 1.00 0.00 H new ATOM 0 HG21 VAL B 53 3.525 10.895 -29.501 1.00 0.00 H new ATOM 0 HG22 VAL B 53 2.641 11.739 -28.207 1.00 0.00 H new ATOM 0 HG23 VAL B 53 2.221 12.035 -29.911 1.00 0.00 H new ATOM 2361 N ASP B 54 4.618 15.928 -30.074 1.00 0.00 N ATOM 2362 CA ASP B 54 5.589 17.051 -30.186 1.00 0.00 C ATOM 2363 C ASP B 54 5.091 18.253 -29.389 1.00 0.00 C ATOM 2364 O ASP B 54 5.849 18.945 -28.740 1.00 0.00 O ATOM 2365 CB ASP B 54 5.752 17.441 -31.657 1.00 0.00 C ATOM 2366 CG ASP B 54 6.778 18.569 -31.778 1.00 0.00 C ATOM 2367 OD1 ASP B 54 7.217 19.057 -30.749 1.00 0.00 O ATOM 2368 OD2 ASP B 54 7.115 18.920 -32.897 1.00 0.00 O ATOM 0 H ASP B 54 4.214 15.618 -30.958 1.00 0.00 H new ATOM 0 HA ASP B 54 6.551 16.733 -29.785 1.00 0.00 H new ATOM 0 HB2 ASP B 54 6.075 16.578 -32.239 1.00 0.00 H new ATOM 0 HB3 ASP B 54 4.794 17.761 -32.067 1.00 0.00 H new ATOM 2373 N LYS B 55 3.820 18.503 -29.447 1.00 0.00 N ATOM 2374 CA LYS B 55 3.241 19.658 -28.711 1.00 0.00 C ATOM 2375 C LYS B 55 3.366 19.388 -27.222 1.00 0.00 C ATOM 2376 O LYS B 55 3.691 20.260 -26.437 1.00 0.00 O ATOM 2377 CB LYS B 55 1.768 19.825 -29.098 1.00 0.00 C ATOM 2378 CG LYS B 55 1.170 21.015 -28.345 1.00 0.00 C ATOM 2379 CD LYS B 55 -0.275 21.232 -28.797 1.00 0.00 C ATOM 2380 CE LYS B 55 -0.884 22.405 -28.026 1.00 0.00 C ATOM 2381 NZ LYS B 55 -1.257 21.952 -26.656 1.00 0.00 N ATOM 0 H LYS B 55 3.147 17.951 -29.979 1.00 0.00 H new ATOM 0 HA LYS B 55 3.772 20.576 -28.964 1.00 0.00 H new ATOM 0 HB2 LYS B 55 1.680 19.981 -30.173 1.00 0.00 H new ATOM 0 HB3 LYS B 55 1.214 18.917 -28.861 1.00 0.00 H new ATOM 0 HG2 LYS B 55 1.203 20.833 -27.271 1.00 0.00 H new ATOM 0 HG3 LYS B 55 1.760 21.912 -28.534 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -0.305 21.433 -29.868 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -0.860 20.328 -28.626 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -0.171 23.227 -27.968 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -1.763 22.782 -28.549 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -1.792 22.703 -26.176 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -1.844 21.096 -26.721 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -0.395 21.740 -26.114 1.00 0.00 H new ATOM 2395 N VAL B 56 3.135 18.171 -26.833 1.00 0.00 N ATOM 2396 CA VAL B 56 3.263 17.818 -25.399 1.00 0.00 C ATOM 2397 C VAL B 56 4.724 17.986 -25.009 1.00 0.00 C ATOM 2398 O VAL B 56 5.049 18.323 -23.887 1.00 0.00 O ATOM 2399 CB VAL B 56 2.810 16.367 -25.183 1.00 0.00 C ATOM 2400 CG1 VAL B 56 3.290 15.856 -23.820 1.00 0.00 C ATOM 2401 CG2 VAL B 56 1.282 16.308 -25.225 1.00 0.00 C ATOM 0 H VAL B 56 2.862 17.404 -27.448 1.00 0.00 H new ATOM 0 HA VAL B 56 2.637 18.463 -24.782 1.00 0.00 H new ATOM 0 HB VAL B 56 3.236 15.743 -25.969 1.00 0.00 H new ATOM 0 HG11 VAL B 56 2.961 14.826 -23.681 1.00 0.00 H new ATOM 0 HG12 VAL B 56 4.378 15.898 -23.778 1.00 0.00 H new ATOM 0 HG13 VAL B 56 2.872 16.480 -23.030 1.00 0.00 H new ATOM 0 HG21 VAL B 56 0.953 15.280 -25.072 1.00 0.00 H new ATOM 0 HG22 VAL B 56 0.872 16.941 -24.438 1.00 0.00 H new ATOM 0 HG23 VAL B 56 0.931 16.661 -26.195 1.00 0.00 H new ATOM 2411 N MET B 57 5.609 17.756 -25.935 1.00 0.00 N ATOM 2412 CA MET B 57 7.051 17.906 -25.619 1.00 0.00 C ATOM 2413 C MET B 57 7.364 19.379 -25.428 1.00 0.00 C ATOM 2414 O MET B 57 8.208 19.737 -24.654 1.00 0.00 O ATOM 2415 CB MET B 57 7.917 17.304 -26.727 1.00 0.00 C ATOM 2416 CG MET B 57 7.778 15.778 -26.699 1.00 0.00 C ATOM 2417 SD MET B 57 8.527 15.110 -25.189 1.00 0.00 S ATOM 2418 CE MET B 57 10.251 15.089 -25.736 1.00 0.00 C ATOM 0 H MET B 57 5.397 17.472 -26.891 1.00 0.00 H new ATOM 0 HA MET B 57 7.277 17.367 -24.699 1.00 0.00 H new ATOM 0 HB2 MET B 57 7.609 17.692 -27.698 1.00 0.00 H new ATOM 0 HB3 MET B 57 8.960 17.589 -26.586 1.00 0.00 H new ATOM 0 HG2 MET B 57 6.725 15.500 -26.745 1.00 0.00 H new ATOM 0 HG3 MET B 57 8.260 15.345 -27.575 1.00 0.00 H new ATOM 0 HE1 MET B 57 10.588 14.057 -25.838 1.00 0.00 H new ATOM 0 HE2 MET B 57 10.334 15.595 -26.698 1.00 0.00 H new ATOM 0 HE3 MET B 57 10.872 15.602 -25.002 1.00 0.00 H new ATOM 2428 N GLU B 58 6.674 20.255 -26.086 1.00 0.00 N ATOM 2429 CA GLU B 58 6.968 21.692 -25.863 1.00 0.00 C ATOM 2430 C GLU B 58 6.784 21.954 -24.368 1.00 0.00 C ATOM 2431 O GLU B 58 7.539 22.675 -23.746 1.00 0.00 O ATOM 2432 CB GLU B 58 6.001 22.558 -26.676 1.00 0.00 C ATOM 2433 CG GLU B 58 6.329 24.036 -26.456 1.00 0.00 C ATOM 2434 CD GLU B 58 5.446 24.896 -27.362 1.00 0.00 C ATOM 2435 OE1 GLU B 58 4.752 24.330 -28.191 1.00 0.00 O ATOM 2436 OE2 GLU B 58 5.479 26.106 -27.212 1.00 0.00 O ATOM 0 H GLU B 58 5.933 20.048 -26.756 1.00 0.00 H new ATOM 0 HA GLU B 58 7.981 21.939 -26.180 1.00 0.00 H new ATOM 0 HB2 GLU B 58 6.078 22.311 -27.735 1.00 0.00 H new ATOM 0 HB3 GLU B 58 4.973 22.354 -26.375 1.00 0.00 H new ATOM 0 HG2 GLU B 58 6.167 24.304 -25.412 1.00 0.00 H new ATOM 0 HG3 GLU B 58 7.381 24.222 -26.673 1.00 0.00 H new ATOM 2443 N THR B 59 5.781 21.352 -23.793 1.00 0.00 N ATOM 2444 CA THR B 59 5.518 21.526 -22.337 1.00 0.00 C ATOM 2445 C THR B 59 6.496 20.694 -21.488 1.00 0.00 C ATOM 2446 O THR B 59 7.013 21.162 -20.493 1.00 0.00 O ATOM 2447 CB THR B 59 4.091 21.063 -22.045 1.00 0.00 C ATOM 2448 OG1 THR B 59 3.182 21.786 -22.862 1.00 0.00 O ATOM 2449 CG2 THR B 59 3.752 21.299 -20.575 1.00 0.00 C ATOM 0 H THR B 59 5.124 20.739 -24.276 1.00 0.00 H new ATOM 0 HA THR B 59 5.651 22.577 -22.080 1.00 0.00 H new ATOM 0 HB THR B 59 4.012 19.998 -22.261 1.00 0.00 H new ATOM 0 HG1 THR B 59 2.267 21.488 -22.676 1.00 0.00 H new ATOM 0 HG21 THR B 59 2.733 20.965 -20.378 1.00 0.00 H new ATOM 0 HG22 THR B 59 4.445 20.738 -19.947 1.00 0.00 H new ATOM 0 HG23 THR B 59 3.836 22.362 -20.348 1.00 0.00 H new ATOM 2457 N LEU B 60 6.727 19.455 -21.846 1.00 0.00 N ATOM 2458 CA LEU B 60 7.636 18.592 -21.029 1.00 0.00 C ATOM 2459 C LEU B 60 9.080 18.750 -21.481 1.00 0.00 C ATOM 2460 O LEU B 60 9.999 18.401 -20.767 1.00 0.00 O ATOM 2461 CB LEU B 60 7.229 17.128 -21.194 1.00 0.00 C ATOM 2462 CG LEU B 60 5.738 16.960 -20.899 1.00 0.00 C ATOM 2463 CD1 LEU B 60 5.382 15.475 -20.982 1.00 0.00 C ATOM 2464 CD2 LEU B 60 5.416 17.496 -19.496 1.00 0.00 C ATOM 0 H LEU B 60 6.326 19.004 -22.668 1.00 0.00 H new ATOM 0 HA LEU B 60 7.553 18.896 -19.986 1.00 0.00 H new ATOM 0 HB2 LEU B 60 7.447 16.794 -22.209 1.00 0.00 H new ATOM 0 HB3 LEU B 60 7.814 16.502 -20.520 1.00 0.00 H new ATOM 0 HG LEU B 60 5.154 17.521 -21.629 1.00 0.00 H new ATOM 0 HD11 LEU B 60 4.320 15.343 -20.773 1.00 0.00 H new ATOM 0 HD12 LEU B 60 5.604 15.103 -21.982 1.00 0.00 H new ATOM 0 HD13 LEU B 60 5.968 14.919 -20.250 1.00 0.00 H new ATOM 0 HD21 LEU B 60 4.352 17.372 -19.295 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.992 16.943 -18.754 1.00 0.00 H new ATOM 0 HD23 LEU B 60 5.675 18.553 -19.442 1.00 0.00 H new ATOM 2476 N ASP B 61 9.305 19.281 -22.644 1.00 0.00 N ATOM 2477 CA ASP B 61 10.711 19.456 -23.091 1.00 0.00 C ATOM 2478 C ASP B 61 11.240 20.696 -22.408 1.00 0.00 C ATOM 2479 O ASP B 61 11.623 21.664 -23.035 1.00 0.00 O ATOM 2480 CB ASP B 61 10.798 19.627 -24.608 1.00 0.00 C ATOM 2481 CG ASP B 61 12.264 19.596 -25.028 1.00 0.00 C ATOM 2482 OD1 ASP B 61 13.108 19.448 -24.157 1.00 0.00 O ATOM 2483 OD2 ASP B 61 12.521 19.734 -26.212 1.00 0.00 O ATOM 0 H ASP B 61 8.589 19.598 -23.298 1.00 0.00 H new ATOM 0 HA ASP B 61 11.296 18.573 -22.832 1.00 0.00 H new ATOM 0 HB2 ASP B 61 10.246 18.832 -25.109 1.00 0.00 H new ATOM 0 HB3 ASP B 61 10.340 20.570 -24.907 1.00 0.00 H new ATOM 2488 N GLU B 62 11.251 20.667 -21.114 1.00 0.00 N ATOM 2489 CA GLU B 62 11.740 21.833 -20.351 1.00 0.00 C ATOM 2490 C GLU B 62 13.179 22.096 -20.778 1.00 0.00 C ATOM 2491 O GLU B 62 13.599 23.223 -20.943 1.00 0.00 O ATOM 2492 CB GLU B 62 11.686 21.501 -18.862 1.00 0.00 C ATOM 2493 CG GLU B 62 10.272 21.035 -18.496 1.00 0.00 C ATOM 2494 CD GLU B 62 10.215 20.701 -17.004 1.00 0.00 C ATOM 2495 OE1 GLU B 62 11.265 20.665 -16.384 1.00 0.00 O ATOM 2496 OE2 GLU B 62 9.121 20.493 -16.505 1.00 0.00 O ATOM 0 H GLU B 62 10.939 19.878 -20.548 1.00 0.00 H new ATOM 0 HA GLU B 62 11.129 22.716 -20.540 1.00 0.00 H new ATOM 0 HB2 GLU B 62 12.410 20.722 -18.625 1.00 0.00 H new ATOM 0 HB3 GLU B 62 11.956 22.377 -18.273 1.00 0.00 H new ATOM 0 HG2 GLU B 62 9.548 21.815 -18.733 1.00 0.00 H new ATOM 0 HG3 GLU B 62 10.002 20.159 -19.086 1.00 0.00 H new ATOM 2503 N ASP B 63 13.929 21.051 -20.980 1.00 0.00 N ATOM 2504 CA ASP B 63 15.337 21.215 -21.423 1.00 0.00 C ATOM 2505 C ASP B 63 15.341 21.722 -22.867 1.00 0.00 C ATOM 2506 O ASP B 63 16.337 22.207 -23.365 1.00 0.00 O ATOM 2507 CB ASP B 63 16.047 19.863 -21.361 1.00 0.00 C ATOM 2508 CG ASP B 63 16.205 19.436 -19.902 1.00 0.00 C ATOM 2509 OD1 ASP B 63 16.568 20.275 -19.094 1.00 0.00 O ATOM 2510 OD2 ASP B 63 15.951 18.277 -19.617 1.00 0.00 O ATOM 0 H ASP B 63 13.624 20.085 -20.856 1.00 0.00 H new ATOM 0 HA ASP B 63 15.852 21.925 -20.776 1.00 0.00 H new ATOM 0 HB2 ASP B 63 15.475 19.115 -21.910 1.00 0.00 H new ATOM 0 HB3 ASP B 63 17.024 19.931 -21.839 1.00 0.00 H new ATOM 2515 N GLY B 64 14.227 21.610 -23.544 1.00 0.00 N ATOM 2516 CA GLY B 64 14.164 22.087 -24.958 1.00 0.00 C ATOM 2517 C GLY B 64 15.113 21.254 -25.829 1.00 0.00 C ATOM 2518 O GLY B 64 15.674 21.749 -26.787 1.00 0.00 O ATOM 0 H GLY B 64 13.362 21.211 -23.181 1.00 0.00 H new ATOM 0 HA2 GLY B 64 13.144 22.005 -25.334 1.00 0.00 H new ATOM 0 HA3 GLY B 64 14.439 23.140 -25.009 1.00 0.00 H new ATOM 2522 N ASP B 65 15.307 19.994 -25.500 1.00 0.00 N ATOM 2523 CA ASP B 65 16.233 19.125 -26.303 1.00 0.00 C ATOM 2524 C ASP B 65 15.431 18.113 -27.126 1.00 0.00 C ATOM 2525 O ASP B 65 15.986 17.221 -27.737 1.00 0.00 O ATOM 2526 CB ASP B 65 17.187 18.386 -25.354 1.00 0.00 C ATOM 2527 CG ASP B 65 16.414 17.838 -24.152 1.00 0.00 C ATOM 2528 OD1 ASP B 65 15.214 18.045 -24.095 1.00 0.00 O ATOM 2529 OD2 ASP B 65 17.040 17.222 -23.305 1.00 0.00 O ATOM 0 H ASP B 65 14.863 19.530 -24.708 1.00 0.00 H new ATOM 0 HA ASP B 65 16.808 19.751 -26.985 1.00 0.00 H new ATOM 0 HB2 ASP B 65 17.678 17.569 -25.883 1.00 0.00 H new ATOM 0 HB3 ASP B 65 17.971 19.063 -25.014 1.00 0.00 H new ATOM 2534 N GLY B 66 14.134 18.237 -27.144 1.00 0.00 N ATOM 2535 CA GLY B 66 13.301 17.276 -27.925 1.00 0.00 C ATOM 2536 C GLY B 66 13.133 15.990 -27.116 1.00 0.00 C ATOM 2537 O GLY B 66 12.507 15.042 -27.547 1.00 0.00 O ATOM 0 H GLY B 66 13.612 18.962 -26.652 1.00 0.00 H new ATOM 0 HA2 GLY B 66 12.327 17.713 -28.143 1.00 0.00 H new ATOM 0 HA3 GLY B 66 13.775 17.059 -28.882 1.00 0.00 H new ATOM 2541 N GLU B 67 13.695 15.963 -25.940 1.00 0.00 N ATOM 2542 CA GLU B 67 13.598 14.765 -25.059 1.00 0.00 C ATOM 2543 C GLU B 67 13.403 15.241 -23.613 1.00 0.00 C ATOM 2544 O GLU B 67 13.918 16.269 -23.220 1.00 0.00 O ATOM 2545 CB GLU B 67 14.887 13.941 -25.187 1.00 0.00 C ATOM 2546 CG GLU B 67 16.112 14.841 -24.990 1.00 0.00 C ATOM 2547 CD GLU B 67 17.377 14.076 -25.385 1.00 0.00 C ATOM 2548 OE1 GLU B 67 17.319 12.859 -25.434 1.00 0.00 O ATOM 2549 OE2 GLU B 67 18.383 14.722 -25.632 1.00 0.00 O ATOM 0 H GLU B 67 14.229 16.737 -25.544 1.00 0.00 H new ATOM 0 HA GLU B 67 12.754 14.139 -25.349 1.00 0.00 H new ATOM 0 HB2 GLU B 67 14.891 13.141 -24.446 1.00 0.00 H new ATOM 0 HB3 GLU B 67 14.929 13.467 -26.168 1.00 0.00 H new ATOM 0 HG2 GLU B 67 16.015 15.742 -25.595 1.00 0.00 H new ATOM 0 HG3 GLU B 67 16.178 15.161 -23.950 1.00 0.00 H new ATOM 2556 N CYS B 68 12.655 14.508 -22.821 1.00 0.00 N ATOM 2557 CA CYS B 68 12.405 14.911 -21.397 1.00 0.00 C ATOM 2558 C CYS B 68 13.049 13.873 -20.479 1.00 0.00 C ATOM 2559 O CYS B 68 12.998 12.691 -20.738 1.00 0.00 O ATOM 2560 CB CYS B 68 10.875 15.010 -21.170 1.00 0.00 C ATOM 2561 SG CYS B 68 10.226 13.526 -20.344 1.00 0.00 S ATOM 0 H CYS B 68 12.202 13.639 -23.103 1.00 0.00 H new ATOM 0 HA CYS B 68 12.844 15.884 -21.175 1.00 0.00 H new ATOM 0 HB2 CYS B 68 10.652 15.890 -20.567 1.00 0.00 H new ATOM 0 HB3 CYS B 68 10.372 15.144 -22.128 1.00 0.00 H new ATOM 0 HG CYS B 68 11.080 12.553 -20.465 1.00 0.00 H new ATOM 2567 N ASP B 69 13.660 14.308 -19.415 1.00 0.00 N ATOM 2568 CA ASP B 69 14.320 13.346 -18.491 1.00 0.00 C ATOM 2569 C ASP B 69 13.267 12.677 -17.616 1.00 0.00 C ATOM 2570 O ASP B 69 12.118 13.072 -17.600 1.00 0.00 O ATOM 2571 CB ASP B 69 15.327 14.094 -17.612 1.00 0.00 C ATOM 2572 CG ASP B 69 16.575 14.441 -18.429 1.00 0.00 C ATOM 2573 OD1 ASP B 69 16.805 13.792 -19.436 1.00 0.00 O ATOM 2574 OD2 ASP B 69 17.282 15.353 -18.030 1.00 0.00 O ATOM 0 H ASP B 69 13.731 15.289 -19.144 1.00 0.00 H new ATOM 0 HA ASP B 69 14.843 12.584 -19.069 1.00 0.00 H new ATOM 0 HB2 ASP B 69 14.874 15.004 -17.219 1.00 0.00 H new ATOM 0 HB3 ASP B 69 15.602 13.479 -16.755 1.00 0.00 H new ATOM 2579 N PHE B 70 13.643 11.660 -16.891 1.00 0.00 N ATOM 2580 CA PHE B 70 12.664 10.971 -16.032 1.00 0.00 C ATOM 2581 C PHE B 70 11.966 12.002 -15.147 1.00 0.00 C ATOM 2582 O PHE B 70 10.784 11.931 -14.937 1.00 0.00 O ATOM 2583 CB PHE B 70 13.408 9.948 -15.161 1.00 0.00 C ATOM 2584 CG PHE B 70 12.514 9.488 -14.031 1.00 0.00 C ATOM 2585 CD1 PHE B 70 11.269 8.926 -14.318 1.00 0.00 C ATOM 2586 CD2 PHE B 70 12.923 9.641 -12.701 1.00 0.00 C ATOM 2587 CE1 PHE B 70 10.433 8.511 -13.281 1.00 0.00 C ATOM 2588 CE2 PHE B 70 12.086 9.229 -11.663 1.00 0.00 C ATOM 2589 CZ PHE B 70 10.840 8.662 -11.950 1.00 0.00 C ATOM 0 H PHE B 70 14.590 11.282 -16.862 1.00 0.00 H new ATOM 0 HA PHE B 70 11.918 10.458 -16.639 1.00 0.00 H new ATOM 0 HB2 PHE B 70 13.712 9.094 -15.767 1.00 0.00 H new ATOM 0 HB3 PHE B 70 14.318 10.393 -14.758 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.952 8.812 -15.344 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.885 10.077 -12.478 1.00 0.00 H new ATOM 0 HE1 PHE B 70 9.472 8.073 -13.505 1.00 0.00 H new ATOM 0 HE2 PHE B 70 12.401 9.348 -10.637 1.00 0.00 H new ATOM 0 HZ PHE B 70 10.193 8.341 -11.147 1.00 0.00 H new ATOM 2599 N GLN B 71 12.685 12.953 -14.628 1.00 0.00 N ATOM 2600 CA GLN B 71 12.041 13.972 -13.754 1.00 0.00 C ATOM 2601 C GLN B 71 11.014 14.794 -14.547 1.00 0.00 C ATOM 2602 O GLN B 71 9.954 15.111 -14.045 1.00 0.00 O ATOM 2603 CB GLN B 71 13.114 14.888 -13.161 1.00 0.00 C ATOM 2604 CG GLN B 71 13.770 15.704 -14.272 1.00 0.00 C ATOM 2605 CD GLN B 71 14.998 16.424 -13.711 1.00 0.00 C ATOM 2606 OE1 GLN B 71 15.755 15.855 -12.950 1.00 0.00 O ATOM 2607 NE2 GLN B 71 15.225 17.663 -14.049 1.00 0.00 N ATOM 0 H GLN B 71 13.688 13.071 -14.769 1.00 0.00 H new ATOM 0 HA GLN B 71 11.516 13.464 -12.945 1.00 0.00 H new ATOM 0 HB2 GLN B 71 12.668 15.555 -12.423 1.00 0.00 H new ATOM 0 HB3 GLN B 71 13.866 14.294 -12.642 1.00 0.00 H new ATOM 0 HG2 GLN B 71 14.061 15.051 -15.095 1.00 0.00 H new ATOM 0 HG3 GLN B 71 13.062 16.428 -14.674 1.00 0.00 H new ATOM 0 HE21 GLN B 71 14.590 18.142 -14.688 1.00 0.00 H new ATOM 0 HE22 GLN B 71 16.037 18.153 -13.675 1.00 0.00 H new ATOM 2616 N GLU B 72 11.303 15.153 -15.774 1.00 0.00 N ATOM 2617 CA GLU B 72 10.312 15.956 -16.548 1.00 0.00 C ATOM 2618 C GLU B 72 9.054 15.118 -16.799 1.00 0.00 C ATOM 2619 O GLU B 72 7.938 15.603 -16.715 1.00 0.00 O ATOM 2620 CB GLU B 72 10.924 16.375 -17.884 1.00 0.00 C ATOM 2621 CG GLU B 72 12.019 17.416 -17.644 1.00 0.00 C ATOM 2622 CD GLU B 72 12.695 17.760 -18.972 1.00 0.00 C ATOM 2623 OE1 GLU B 72 12.169 18.603 -19.681 1.00 0.00 O ATOM 2624 OE2 GLU B 72 13.727 17.175 -19.259 1.00 0.00 O ATOM 0 H GLU B 72 12.168 14.928 -16.265 1.00 0.00 H new ATOM 0 HA GLU B 72 10.045 16.846 -15.978 1.00 0.00 H new ATOM 0 HB2 GLU B 72 11.340 15.506 -18.393 1.00 0.00 H new ATOM 0 HB3 GLU B 72 10.153 16.787 -18.535 1.00 0.00 H new ATOM 0 HG2 GLU B 72 11.591 18.314 -17.198 1.00 0.00 H new ATOM 0 HG3 GLU B 72 12.755 17.030 -16.938 1.00 0.00 H new ATOM 2631 N PHE B 73 9.224 13.860 -17.096 1.00 0.00 N ATOM 2632 CA PHE B 73 8.043 12.985 -17.344 1.00 0.00 C ATOM 2633 C PHE B 73 7.248 12.832 -16.051 1.00 0.00 C ATOM 2634 O PHE B 73 6.043 12.692 -16.065 1.00 0.00 O ATOM 2635 CB PHE B 73 8.501 11.599 -17.825 1.00 0.00 C ATOM 2636 CG PHE B 73 7.334 10.633 -17.741 1.00 0.00 C ATOM 2637 CD1 PHE B 73 6.259 10.751 -18.631 1.00 0.00 C ATOM 2638 CD2 PHE B 73 7.315 9.643 -16.749 1.00 0.00 C ATOM 2639 CE1 PHE B 73 5.167 9.880 -18.528 1.00 0.00 C ATOM 2640 CE2 PHE B 73 6.226 8.769 -16.651 1.00 0.00 C ATOM 2641 CZ PHE B 73 5.152 8.889 -17.539 1.00 0.00 C ATOM 0 H PHE B 73 10.130 13.399 -17.178 1.00 0.00 H new ATOM 0 HA PHE B 73 7.419 13.440 -18.113 1.00 0.00 H new ATOM 0 HB2 PHE B 73 8.866 11.659 -18.850 1.00 0.00 H new ATOM 0 HB3 PHE B 73 9.329 11.243 -17.212 1.00 0.00 H new ATOM 0 HD1 PHE B 73 6.272 11.513 -19.396 1.00 0.00 H new ATOM 0 HD2 PHE B 73 8.141 9.554 -16.059 1.00 0.00 H new ATOM 0 HE1 PHE B 73 4.336 9.973 -19.212 1.00 0.00 H new ATOM 0 HE2 PHE B 73 6.215 8.003 -15.890 1.00 0.00 H new ATOM 0 HZ PHE B 73 4.310 8.217 -17.462 1.00 0.00 H new ATOM 2651 N MET B 74 7.920 12.833 -14.941 1.00 0.00 N ATOM 2652 CA MET B 74 7.225 12.656 -13.645 1.00 0.00 C ATOM 2653 C MET B 74 6.208 13.777 -13.457 1.00 0.00 C ATOM 2654 O MET B 74 5.137 13.575 -12.913 1.00 0.00 O ATOM 2655 CB MET B 74 8.251 12.677 -12.505 1.00 0.00 C ATOM 2656 CG MET B 74 8.962 11.317 -12.410 1.00 0.00 C ATOM 2657 SD MET B 74 7.782 10.022 -11.940 1.00 0.00 S ATOM 2658 CE MET B 74 7.335 10.688 -10.322 1.00 0.00 C ATOM 0 H MET B 74 8.931 12.950 -14.876 1.00 0.00 H new ATOM 0 HA MET B 74 6.705 11.698 -13.636 1.00 0.00 H new ATOM 0 HB2 MET B 74 8.982 13.467 -12.677 1.00 0.00 H new ATOM 0 HB3 MET B 74 7.754 12.903 -11.562 1.00 0.00 H new ATOM 0 HG2 MET B 74 9.420 11.071 -13.368 1.00 0.00 H new ATOM 0 HG3 MET B 74 9.766 11.370 -11.676 1.00 0.00 H new ATOM 0 HE1 MET B 74 6.920 9.893 -9.703 1.00 0.00 H new ATOM 0 HE2 MET B 74 8.222 11.098 -9.839 1.00 0.00 H new ATOM 0 HE3 MET B 74 6.593 11.476 -10.446 1.00 0.00 H new ATOM 2668 N ALA B 75 6.526 14.959 -13.888 1.00 0.00 N ATOM 2669 CA ALA B 75 5.560 16.073 -13.711 1.00 0.00 C ATOM 2670 C ALA B 75 4.328 15.860 -14.598 1.00 0.00 C ATOM 2671 O ALA B 75 3.228 16.230 -14.240 1.00 0.00 O ATOM 2672 CB ALA B 75 6.236 17.407 -14.044 1.00 0.00 C ATOM 0 H ALA B 75 7.402 15.203 -14.350 1.00 0.00 H new ATOM 0 HA ALA B 75 5.233 16.094 -12.671 1.00 0.00 H new ATOM 0 HB1 ALA B 75 5.522 18.220 -13.912 1.00 0.00 H new ATOM 0 HB2 ALA B 75 7.086 17.560 -13.380 1.00 0.00 H new ATOM 0 HB3 ALA B 75 6.581 17.392 -15.078 1.00 0.00 H new ATOM 2678 N PHE B 76 4.492 15.261 -15.743 1.00 0.00 N ATOM 2679 CA PHE B 76 3.314 15.023 -16.634 1.00 0.00 C ATOM 2680 C PHE B 76 2.299 14.156 -15.897 1.00 0.00 C ATOM 2681 O PHE B 76 1.111 14.347 -15.996 1.00 0.00 O ATOM 2682 CB PHE B 76 3.766 14.301 -17.904 1.00 0.00 C ATOM 2683 CG PHE B 76 2.574 14.062 -18.804 1.00 0.00 C ATOM 2684 CD1 PHE B 76 1.976 15.140 -19.470 1.00 0.00 C ATOM 2685 CD2 PHE B 76 2.064 12.767 -18.974 1.00 0.00 C ATOM 2686 CE1 PHE B 76 0.873 14.925 -20.304 1.00 0.00 C ATOM 2687 CE2 PHE B 76 0.960 12.554 -19.809 1.00 0.00 C ATOM 2688 CZ PHE B 76 0.365 13.633 -20.474 1.00 0.00 C ATOM 0 H PHE B 76 5.385 14.925 -16.103 1.00 0.00 H new ATOM 0 HA PHE B 76 2.862 15.978 -16.903 1.00 0.00 H new ATOM 0 HB2 PHE B 76 4.515 14.897 -18.426 1.00 0.00 H new ATOM 0 HB3 PHE B 76 4.236 13.352 -17.647 1.00 0.00 H new ATOM 0 HD1 PHE B 76 2.367 16.138 -19.340 1.00 0.00 H new ATOM 0 HD2 PHE B 76 2.522 11.934 -18.461 1.00 0.00 H new ATOM 0 HE1 PHE B 76 0.414 15.757 -20.817 1.00 0.00 H new ATOM 0 HE2 PHE B 76 0.567 11.557 -19.940 1.00 0.00 H new ATOM 0 HZ PHE B 76 -0.486 13.468 -21.118 1.00 0.00 H new ATOM 2698 N VAL B 77 2.779 13.194 -15.182 1.00 0.00 N ATOM 2699 CA VAL B 77 1.888 12.257 -14.429 1.00 0.00 C ATOM 2700 C VAL B 77 1.042 13.034 -13.424 1.00 0.00 C ATOM 2701 O VAL B 77 -0.105 12.726 -13.200 1.00 0.00 O ATOM 2702 CB VAL B 77 2.761 11.233 -13.681 1.00 0.00 C ATOM 2703 CG1 VAL B 77 2.005 9.916 -13.492 1.00 0.00 C ATOM 2704 CG2 VAL B 77 4.028 10.985 -14.489 1.00 0.00 C ATOM 0 H VAL B 77 3.776 13.004 -15.078 1.00 0.00 H new ATOM 0 HA VAL B 77 1.226 11.745 -15.127 1.00 0.00 H new ATOM 0 HB VAL B 77 3.014 11.628 -12.697 1.00 0.00 H new ATOM 0 HG11 VAL B 77 2.639 9.206 -12.961 1.00 0.00 H new ATOM 0 HG12 VAL B 77 1.099 10.096 -12.913 1.00 0.00 H new ATOM 0 HG13 VAL B 77 1.738 9.507 -14.466 1.00 0.00 H new ATOM 0 HG21 VAL B 77 4.655 10.261 -13.969 1.00 0.00 H new ATOM 0 HG22 VAL B 77 3.762 10.596 -15.472 1.00 0.00 H new ATOM 0 HG23 VAL B 77 4.574 11.921 -14.605 1.00 0.00 H new ATOM 2714 N SER B 78 1.604 14.027 -12.810 1.00 0.00 N ATOM 2715 CA SER B 78 0.830 14.817 -11.816 1.00 0.00 C ATOM 2716 C SER B 78 -0.320 15.532 -12.524 1.00 0.00 C ATOM 2717 O SER B 78 -1.417 15.639 -12.014 1.00 0.00 O ATOM 2718 CB SER B 78 1.754 15.852 -11.173 1.00 0.00 C ATOM 2719 OG SER B 78 0.976 16.815 -10.477 1.00 0.00 O ATOM 0 H SER B 78 2.568 14.330 -12.951 1.00 0.00 H new ATOM 0 HA SER B 78 0.429 14.155 -11.049 1.00 0.00 H new ATOM 0 HB2 SER B 78 2.444 15.362 -10.487 1.00 0.00 H new ATOM 0 HB3 SER B 78 2.358 16.341 -11.938 1.00 0.00 H new ATOM 0 HG SER B 78 1.144 17.705 -10.852 1.00 0.00 H new ATOM 2725 N MET B 79 -0.057 16.037 -13.692 1.00 0.00 N ATOM 2726 CA MET B 79 -1.099 16.774 -14.459 1.00 0.00 C ATOM 2727 C MET B 79 -2.240 15.858 -14.914 1.00 0.00 C ATOM 2728 O MET B 79 -3.408 16.194 -14.795 1.00 0.00 O ATOM 2729 CB MET B 79 -0.426 17.389 -15.689 1.00 0.00 C ATOM 2730 CG MET B 79 0.469 18.555 -15.274 1.00 0.00 C ATOM 2731 SD MET B 79 1.444 19.091 -16.705 1.00 0.00 S ATOM 2732 CE MET B 79 0.065 19.638 -17.744 1.00 0.00 C ATOM 0 H MET B 79 0.849 15.971 -14.157 1.00 0.00 H new ATOM 0 HA MET B 79 -1.535 17.537 -13.813 1.00 0.00 H new ATOM 0 HB2 MET B 79 0.166 16.633 -16.205 1.00 0.00 H new ATOM 0 HB3 MET B 79 -1.184 17.735 -16.392 1.00 0.00 H new ATOM 0 HG2 MET B 79 -0.137 19.381 -14.901 1.00 0.00 H new ATOM 0 HG3 MET B 79 1.129 18.252 -14.461 1.00 0.00 H new ATOM 0 HE1 MET B 79 0.422 20.374 -18.465 1.00 0.00 H new ATOM 0 HE2 MET B 79 -0.352 18.782 -18.275 1.00 0.00 H new ATOM 0 HE3 MET B 79 -0.706 20.088 -17.118 1.00 0.00 H new ATOM 2742 N VAL B 80 -1.926 14.722 -15.450 1.00 0.00 N ATOM 2743 CA VAL B 80 -3.010 13.818 -15.934 1.00 0.00 C ATOM 2744 C VAL B 80 -3.788 13.249 -14.753 1.00 0.00 C ATOM 2745 O VAL B 80 -4.979 13.019 -14.834 1.00 0.00 O ATOM 2746 CB VAL B 80 -2.415 12.673 -16.751 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -3.552 11.811 -17.303 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -1.590 13.242 -17.911 1.00 0.00 C ATOM 0 H VAL B 80 -0.975 14.375 -15.577 1.00 0.00 H new ATOM 0 HA VAL B 80 -3.686 14.396 -16.564 1.00 0.00 H new ATOM 0 HB VAL B 80 -1.768 12.067 -16.117 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -3.136 10.991 -17.888 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -4.137 11.407 -16.476 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -4.195 12.420 -17.939 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -1.167 12.423 -18.492 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -2.232 13.848 -18.551 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -0.784 13.861 -17.515 1.00 0.00 H new ATOM 2758 N THR B 81 -3.128 13.011 -13.661 1.00 0.00 N ATOM 2759 CA THR B 81 -3.836 12.446 -12.480 1.00 0.00 C ATOM 2760 C THR B 81 -4.920 13.421 -12.049 1.00 0.00 C ATOM 2761 O THR B 81 -6.017 13.039 -11.694 1.00 0.00 O ATOM 2762 CB THR B 81 -2.855 12.238 -11.331 1.00 0.00 C ATOM 2763 OG1 THR B 81 -1.836 11.339 -11.736 1.00 0.00 O ATOM 2764 CG2 THR B 81 -3.603 11.663 -10.122 1.00 0.00 C ATOM 0 H THR B 81 -2.131 13.182 -13.532 1.00 0.00 H new ATOM 0 HA THR B 81 -4.277 11.485 -12.744 1.00 0.00 H new ATOM 0 HB THR B 81 -2.404 13.192 -11.057 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.054 11.846 -12.040 1.00 0.00 H new ATOM 0 HG21 THR B 81 -2.904 11.513 -9.299 1.00 0.00 H new ATOM 0 HG22 THR B 81 -4.384 12.358 -9.813 1.00 0.00 H new ATOM 0 HG23 THR B 81 -4.054 10.708 -10.393 1.00 0.00 H new ATOM 2772 N THR B 82 -4.617 14.686 -12.090 1.00 0.00 N ATOM 2773 CA THR B 82 -5.620 15.705 -11.699 1.00 0.00 C ATOM 2774 C THR B 82 -6.871 15.454 -12.540 1.00 0.00 C ATOM 2775 O THR B 82 -7.989 15.615 -12.088 1.00 0.00 O ATOM 2776 CB THR B 82 -5.046 17.105 -11.981 1.00 0.00 C ATOM 2777 OG1 THR B 82 -3.655 17.098 -11.693 1.00 0.00 O ATOM 2778 CG2 THR B 82 -5.729 18.150 -11.091 1.00 0.00 C ATOM 0 H THR B 82 -3.712 15.058 -12.379 1.00 0.00 H new ATOM 0 HA THR B 82 -5.866 15.643 -10.639 1.00 0.00 H new ATOM 0 HB THR B 82 -5.220 17.357 -13.027 1.00 0.00 H new ATOM 0 HG1 THR B 82 -3.152 16.913 -12.513 1.00 0.00 H new ATOM 0 HG21 THR B 82 -5.313 19.135 -11.302 1.00 0.00 H new ATOM 0 HG22 THR B 82 -6.800 18.157 -11.295 1.00 0.00 H new ATOM 0 HG23 THR B 82 -5.561 17.901 -10.043 1.00 0.00 H new ATOM 2786 N ALA B 83 -6.682 15.029 -13.762 1.00 0.00 N ATOM 2787 CA ALA B 83 -7.853 14.729 -14.635 1.00 0.00 C ATOM 2788 C ALA B 83 -8.700 13.629 -13.981 1.00 0.00 C ATOM 2789 O ALA B 83 -9.914 13.669 -14.000 1.00 0.00 O ATOM 2790 CB ALA B 83 -7.357 14.240 -16.002 1.00 0.00 C ATOM 0 H ALA B 83 -5.769 14.877 -14.191 1.00 0.00 H new ATOM 0 HA ALA B 83 -8.454 15.629 -14.765 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -8.212 14.020 -16.642 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -6.746 15.015 -16.466 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -6.760 13.337 -15.871 1.00 0.00 H new ATOM 2796 N CYS B 84 -8.060 12.645 -13.404 1.00 0.00 N ATOM 2797 CA CYS B 84 -8.811 11.535 -12.747 1.00 0.00 C ATOM 2798 C CYS B 84 -9.686 12.101 -11.629 1.00 0.00 C ATOM 2799 O CYS B 84 -10.772 11.625 -11.382 1.00 0.00 O ATOM 2800 CB CYS B 84 -7.825 10.521 -12.164 1.00 0.00 C ATOM 2801 SG CYS B 84 -6.813 9.834 -13.498 1.00 0.00 S ATOM 0 H CYS B 84 -7.044 12.563 -13.360 1.00 0.00 H new ATOM 0 HA CYS B 84 -9.442 11.040 -13.485 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -7.189 11.001 -11.420 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -8.365 9.723 -11.654 1.00 0.00 H new ATOM 0 HG CYS B 84 -5.972 8.973 -13.006 1.00 0.00 H new ATOM 2807 N HIS B 85 -9.224 13.116 -10.952 1.00 0.00 N ATOM 2808 CA HIS B 85 -10.036 13.706 -9.851 1.00 0.00 C ATOM 2809 C HIS B 85 -11.374 14.175 -10.410 1.00 0.00 C ATOM 2810 O HIS B 85 -12.407 14.019 -9.789 1.00 0.00 O ATOM 2811 CB HIS B 85 -9.294 14.898 -9.245 1.00 0.00 C ATOM 2812 CG HIS B 85 -10.145 15.527 -8.178 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -10.765 16.756 -8.359 1.00 0.00 N ATOM 2814 CD2 HIS B 85 -10.494 15.113 -6.918 1.00 0.00 C ATOM 2815 CE1 HIS B 85 -11.449 17.035 -7.235 1.00 0.00 C ATOM 2816 NE2 HIS B 85 -11.316 16.066 -6.328 1.00 0.00 N ATOM 0 H HIS B 85 -8.321 13.562 -11.113 1.00 0.00 H new ATOM 0 HA HIS B 85 -10.202 12.954 -9.079 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -8.344 14.572 -8.822 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -9.064 15.629 -10.020 1.00 0.00 H new ATOM 0 HD1 HIS B 85 -10.712 17.341 -9.193 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -10.179 14.189 -6.456 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -12.033 17.931 -7.086 1.00 0.00 H new ATOM 2825 N GLU B 86 -11.370 14.743 -11.580 1.00 0.00 N ATOM 2826 CA GLU B 86 -12.650 15.213 -12.170 1.00 0.00 C ATOM 2827 C GLU B 86 -13.587 14.014 -12.322 1.00 0.00 C ATOM 2828 O GLU B 86 -14.773 14.106 -12.077 1.00 0.00 O ATOM 2829 CB GLU B 86 -12.377 15.837 -13.543 1.00 0.00 C ATOM 2830 CG GLU B 86 -13.672 16.410 -14.129 1.00 0.00 C ATOM 2831 CD GLU B 86 -14.141 17.593 -13.279 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -13.355 18.070 -12.478 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -15.277 18.003 -13.446 1.00 0.00 O ATOM 0 H GLU B 86 -10.540 14.902 -12.151 1.00 0.00 H new ATOM 0 HA GLU B 86 -13.111 15.961 -11.525 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -11.631 16.626 -13.450 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -11.965 15.086 -14.217 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -13.507 16.731 -15.157 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -14.443 15.640 -14.155 1.00 0.00 H new ATOM 2840 N PHE B 87 -13.063 12.887 -12.722 1.00 0.00 N ATOM 2841 CA PHE B 87 -13.924 11.679 -12.882 1.00 0.00 C ATOM 2842 C PHE B 87 -14.045 10.949 -11.541 1.00 0.00 C ATOM 2843 O PHE B 87 -15.095 10.451 -11.187 1.00 0.00 O ATOM 2844 CB PHE B 87 -13.303 10.732 -13.915 1.00 0.00 C ATOM 2845 CG PHE B 87 -13.339 11.373 -15.282 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -14.478 11.246 -16.086 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -12.231 12.090 -15.748 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -14.510 11.836 -17.355 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -12.262 12.681 -17.017 1.00 0.00 C ATOM 2850 CZ PHE B 87 -13.402 12.555 -17.820 1.00 0.00 C ATOM 0 H PHE B 87 -12.077 12.750 -12.945 1.00 0.00 H new ATOM 0 HA PHE B 87 -14.912 11.991 -13.220 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -12.274 10.501 -13.638 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -13.848 9.788 -13.931 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -15.333 10.692 -15.727 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -11.352 12.187 -15.129 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -15.389 11.737 -17.975 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -11.407 13.234 -17.376 1.00 0.00 H new ATOM 0 HZ PHE B 87 -13.427 13.012 -18.798 1.00 0.00 H new ATOM 2860 N PHE B 88 -12.971 10.868 -10.798 1.00 0.00 N ATOM 2861 CA PHE B 88 -13.008 10.154 -9.484 1.00 0.00 C ATOM 2862 C PHE B 88 -13.279 11.167 -8.382 1.00 0.00 C ATOM 2863 O PHE B 88 -12.448 11.426 -7.534 1.00 0.00 O ATOM 2864 CB PHE B 88 -11.658 9.450 -9.242 1.00 0.00 C ATOM 2865 CG PHE B 88 -11.665 8.076 -9.884 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -12.273 7.884 -11.133 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -11.052 6.998 -9.235 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -12.269 6.618 -11.728 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -11.050 5.730 -9.831 1.00 0.00 C ATOM 2870 CZ PHE B 88 -11.658 5.540 -11.078 1.00 0.00 C ATOM 0 H PHE B 88 -12.066 11.267 -11.045 1.00 0.00 H new ATOM 0 HA PHE B 88 -13.798 9.403 -9.487 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -10.847 10.049 -9.656 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -11.473 9.359 -8.172 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -12.745 8.715 -11.636 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -10.580 7.144 -8.274 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -12.738 6.472 -12.690 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -10.579 4.898 -9.328 1.00 0.00 H new ATOM 0 HZ PHE B 88 -11.655 4.563 -11.538 1.00 0.00 H new ATOM 3114 N ARG X 104 18.433 20.778 6.228 1.00 0.00 N ATOM 3115 CA ARG X 104 17.769 19.534 5.755 1.00 0.00 C ATOM 3116 C ARG X 104 16.878 19.880 4.557 1.00 0.00 C ATOM 3117 O ARG X 104 16.832 19.176 3.564 1.00 0.00 O ATOM 3118 CB ARG X 104 16.895 18.995 6.885 1.00 0.00 C ATOM 3119 CG ARG X 104 17.779 18.465 8.012 1.00 0.00 C ATOM 3120 CD ARG X 104 16.903 18.176 9.231 1.00 0.00 C ATOM 3121 NE ARG X 104 17.703 17.466 10.284 1.00 0.00 N ATOM 3122 CZ ARG X 104 18.245 16.299 10.068 1.00 0.00 C ATOM 3123 NH1 ARG X 104 17.997 15.647 8.965 1.00 0.00 N ATOM 3124 NH2 ARG X 104 19.006 15.762 10.980 1.00 0.00 N ATOM 0 HA ARG X 104 18.511 18.790 5.465 1.00 0.00 H new ATOM 0 HB2 ARG X 104 16.243 19.784 7.261 1.00 0.00 H new ATOM 0 HB3 ARG X 104 16.250 18.200 6.511 1.00 0.00 H new ATOM 0 HG2 ARG X 104 18.293 17.558 7.693 1.00 0.00 H new ATOM 0 HG3 ARG X 104 18.548 19.196 8.264 1.00 0.00 H new ATOM 0 HD2 ARG X 104 16.505 19.108 9.632 1.00 0.00 H new ATOM 0 HD3 ARG X 104 16.049 17.565 8.938 1.00 0.00 H new ATOM 0 HE ARG X 104 17.826 17.909 11.195 1.00 0.00 H new ATOM 0 HH11 ARG X 104 17.375 16.049 8.264 1.00 0.00 H new ATOM 0 HH12 ARG X 104 18.425 14.735 8.804 1.00 0.00 H new ATOM 0 HH21 ARG X 104 19.175 16.254 11.857 1.00 0.00 H new ATOM 0 HH22 ARG X 104 19.432 14.850 10.816 1.00 0.00 H new ATOM 3138 N HIS X 105 16.181 20.977 4.643 1.00 0.00 N ATOM 3139 CA HIS X 105 15.302 21.395 3.521 1.00 0.00 C ATOM 3140 C HIS X 105 16.158 21.603 2.273 1.00 0.00 C ATOM 3141 O HIS X 105 15.775 21.248 1.177 1.00 0.00 O ATOM 3142 CB HIS X 105 14.592 22.696 3.885 1.00 0.00 C ATOM 3143 CG HIS X 105 13.518 22.973 2.875 1.00 0.00 C ATOM 3144 ND1 HIS X 105 12.542 22.038 2.562 1.00 0.00 N ATOM 3145 CD2 HIS X 105 13.239 24.078 2.111 1.00 0.00 C ATOM 3146 CE1 HIS X 105 11.728 22.591 1.647 1.00 0.00 C ATOM 3147 NE2 HIS X 105 12.109 23.834 1.340 1.00 0.00 N ATOM 0 H HIS X 105 16.183 21.604 5.447 1.00 0.00 H new ATOM 0 HA HIS X 105 14.554 20.625 3.328 1.00 0.00 H new ATOM 0 HB2 HIS X 105 14.159 22.621 4.882 1.00 0.00 H new ATOM 0 HB3 HIS X 105 15.306 23.519 3.909 1.00 0.00 H new ATOM 0 HD1 HIS X 105 12.458 21.101 2.955 1.00 0.00 H new ATOM 0 HD2 HIS X 105 13.809 24.995 2.109 1.00 0.00 H new ATOM 0 HE1 HIS X 105 10.873 22.093 1.214 1.00 0.00 H new ATOM 3156 N LYS X 106 17.320 22.176 2.437 1.00 0.00 N ATOM 3157 CA LYS X 106 18.210 22.412 1.268 1.00 0.00 C ATOM 3158 C LYS X 106 18.470 21.066 0.592 1.00 0.00 C ATOM 3159 O LYS X 106 18.662 20.983 -0.608 1.00 0.00 O ATOM 3160 CB LYS X 106 19.534 23.028 1.751 1.00 0.00 C ATOM 3161 CG LYS X 106 20.483 23.310 0.572 1.00 0.00 C ATOM 3162 CD LYS X 106 19.990 24.517 -0.237 1.00 0.00 C ATOM 3163 CE LYS X 106 21.085 24.952 -1.212 1.00 0.00 C ATOM 3164 NZ LYS X 106 22.167 25.651 -0.463 1.00 0.00 N ATOM 0 H LYS X 106 17.691 22.491 3.334 1.00 0.00 H new ATOM 0 HA LYS X 106 17.745 23.099 0.561 1.00 0.00 H new ATOM 0 HB2 LYS X 106 19.332 23.955 2.288 1.00 0.00 H new ATOM 0 HB3 LYS X 106 20.017 22.351 2.455 1.00 0.00 H new ATOM 0 HG2 LYS X 106 21.489 23.501 0.945 1.00 0.00 H new ATOM 0 HG3 LYS X 106 20.543 22.433 -0.072 1.00 0.00 H new ATOM 0 HD2 LYS X 106 19.083 24.258 -0.783 1.00 0.00 H new ATOM 0 HD3 LYS X 106 19.735 25.339 0.432 1.00 0.00 H new ATOM 0 HE2 LYS X 106 21.490 24.084 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS X 106 20.669 25.613 -1.972 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 22.715 26.245 -1.118 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 21.747 26.248 0.277 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 22.796 24.948 -0.025 1.00 0.00 H new ATOM 3178 N LYS X 107 18.466 20.001 1.342 1.00 0.00 N ATOM 3179 CA LYS X 107 18.702 18.683 0.709 1.00 0.00 C ATOM 3180 C LYS X 107 17.604 18.461 -0.328 1.00 0.00 C ATOM 3181 O LYS X 107 17.861 17.986 -1.404 1.00 0.00 O ATOM 3182 CB LYS X 107 18.637 17.570 1.760 1.00 0.00 C ATOM 3183 CG LYS X 107 19.007 16.232 1.111 1.00 0.00 C ATOM 3184 CD LYS X 107 18.917 15.114 2.154 1.00 0.00 C ATOM 3185 CE LYS X 107 19.243 13.771 1.496 1.00 0.00 C ATOM 3186 NZ LYS X 107 19.493 12.748 2.552 1.00 0.00 N ATOM 0 H LYS X 107 18.312 19.988 2.350 1.00 0.00 H new ATOM 0 HA LYS X 107 19.688 18.664 0.244 1.00 0.00 H new ATOM 0 HB2 LYS X 107 19.320 17.790 2.580 1.00 0.00 H new ATOM 0 HB3 LYS X 107 17.635 17.515 2.186 1.00 0.00 H new ATOM 0 HG2 LYS X 107 18.335 16.022 0.279 1.00 0.00 H new ATOM 0 HG3 LYS X 107 20.016 16.281 0.702 1.00 0.00 H new ATOM 0 HD2 LYS X 107 19.612 15.308 2.971 1.00 0.00 H new ATOM 0 HD3 LYS X 107 17.917 15.086 2.586 1.00 0.00 H new ATOM 0 HE2 LYS X 107 18.417 13.456 0.858 1.00 0.00 H new ATOM 0 HE3 LYS X 107 20.120 13.871 0.856 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 19.715 11.835 2.106 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 20.294 13.048 3.143 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 18.645 12.646 3.145 1.00 0.00 H new ATOM 3200 N LEU X 108 16.382 18.827 -0.020 1.00 0.00 N ATOM 3201 CA LEU X 108 15.272 18.647 -1.015 1.00 0.00 C ATOM 3202 C LEU X 108 15.515 19.559 -2.227 1.00 0.00 C ATOM 3203 O LEU X 108 15.259 19.193 -3.357 1.00 0.00 O ATOM 3204 CB LEU X 108 13.921 19.005 -0.370 1.00 0.00 C ATOM 3205 CG LEU X 108 12.757 18.485 -1.245 1.00 0.00 C ATOM 3206 CD1 LEU X 108 12.468 17.009 -0.931 1.00 0.00 C ATOM 3207 CD2 LEU X 108 11.488 19.302 -0.966 1.00 0.00 C ATOM 0 H LEU X 108 16.105 19.240 0.870 1.00 0.00 H new ATOM 0 HA LEU X 108 15.250 17.606 -1.337 1.00 0.00 H new ATOM 0 HB2 LEU X 108 13.859 18.569 0.627 1.00 0.00 H new ATOM 0 HB3 LEU X 108 13.842 20.086 -0.251 1.00 0.00 H new ATOM 0 HG LEU X 108 13.045 18.586 -2.291 1.00 0.00 H new ATOM 0 HD11 LEU X 108 11.646 16.658 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU X 108 13.358 16.413 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU X 108 12.195 16.907 0.119 1.00 0.00 H new ATOM 0 HD21 LEU X 108 10.672 18.930 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU X 108 11.217 19.206 0.086 1.00 0.00 H new ATOM 0 HD23 LEU X 108 11.672 20.351 -1.199 1.00 0.00 H new ATOM 3219 N MET X 109 16.000 20.750 -2.004 1.00 0.00 N ATOM 3220 CA MET X 109 16.244 21.677 -3.148 1.00 0.00 C ATOM 3221 C MET X 109 17.013 20.946 -4.255 1.00 0.00 C ATOM 3222 O MET X 109 16.955 21.337 -5.402 1.00 0.00 O ATOM 3223 CB MET X 109 17.036 22.913 -2.685 1.00 0.00 C ATOM 3224 CG MET X 109 16.088 23.933 -2.044 1.00 0.00 C ATOM 3225 SD MET X 109 15.258 23.179 -0.619 1.00 0.00 S ATOM 3226 CE MET X 109 13.557 23.237 -1.243 1.00 0.00 C ATOM 0 H MET X 109 16.237 21.121 -1.084 1.00 0.00 H new ATOM 0 HA MET X 109 15.282 22.010 -3.538 1.00 0.00 H new ATOM 0 HB2 MET X 109 17.803 22.617 -1.969 1.00 0.00 H new ATOM 0 HB3 MET X 109 17.550 23.365 -3.534 1.00 0.00 H new ATOM 0 HG2 MET X 109 16.646 24.815 -1.728 1.00 0.00 H new ATOM 0 HG3 MET X 109 15.350 24.267 -2.773 1.00 0.00 H new ATOM 0 HE1 MET X 109 12.974 22.438 -0.785 1.00 0.00 H new ATOM 0 HE2 MET X 109 13.111 24.200 -0.994 1.00 0.00 H new ATOM 0 HE3 MET X 109 13.562 23.109 -2.325 1.00 0.00 H new ATOM 3236 N PHE X 110 17.751 19.908 -3.929 1.00 0.00 N ATOM 3237 CA PHE X 110 18.531 19.183 -4.991 1.00 0.00 C ATOM 3238 C PHE X 110 17.684 19.054 -6.271 1.00 0.00 C ATOM 3239 O PHE X 110 18.145 19.333 -7.359 1.00 0.00 O ATOM 3240 CB PHE X 110 18.953 17.776 -4.476 1.00 0.00 C ATOM 3241 CG PHE X 110 17.939 16.700 -4.863 1.00 0.00 C ATOM 3242 CD1 PHE X 110 17.896 16.226 -6.182 1.00 0.00 C ATOM 3243 CD2 PHE X 110 17.048 16.180 -3.912 1.00 0.00 C ATOM 3244 CE1 PHE X 110 16.967 15.245 -6.545 1.00 0.00 C ATOM 3245 CE2 PHE X 110 16.121 15.202 -4.279 1.00 0.00 C ATOM 3246 CZ PHE X 110 16.080 14.735 -5.594 1.00 0.00 C ATOM 0 H PHE X 110 17.848 19.534 -2.985 1.00 0.00 H new ATOM 0 HA PHE X 110 19.430 19.753 -5.223 1.00 0.00 H new ATOM 0 HB2 PHE X 110 19.930 17.518 -4.884 1.00 0.00 H new ATOM 0 HB3 PHE X 110 19.058 17.803 -3.391 1.00 0.00 H new ATOM 0 HD1 PHE X 110 18.581 16.619 -6.919 1.00 0.00 H new ATOM 0 HD2 PHE X 110 17.079 16.537 -2.893 1.00 0.00 H new ATOM 0 HE1 PHE X 110 16.936 14.882 -7.562 1.00 0.00 H new ATOM 0 HE2 PHE X 110 15.435 14.806 -3.545 1.00 0.00 H new ATOM 0 HZ PHE X 110 15.362 13.979 -5.876 1.00 0.00 H new ATOM 3256 N LYS X 111 16.457 18.626 -6.144 1.00 0.00 N ATOM 3257 CA LYS X 111 15.587 18.473 -7.346 1.00 0.00 C ATOM 3258 C LYS X 111 15.128 19.841 -7.854 1.00 0.00 C ATOM 3259 O LYS X 111 14.939 20.036 -9.038 1.00 0.00 O ATOM 3260 CB LYS X 111 14.376 17.622 -6.985 1.00 0.00 C ATOM 3261 CG LYS X 111 13.455 18.401 -6.047 1.00 0.00 C ATOM 3262 CD LYS X 111 12.486 17.431 -5.361 1.00 0.00 C ATOM 3263 CE LYS X 111 13.244 16.506 -4.391 1.00 0.00 C ATOM 3264 NZ LYS X 111 13.440 15.177 -5.037 1.00 0.00 N ATOM 0 H LYS X 111 16.019 18.375 -5.258 1.00 0.00 H new ATOM 0 HA LYS X 111 16.157 17.985 -8.137 1.00 0.00 H new ATOM 0 HB2 LYS X 111 13.836 17.341 -7.889 1.00 0.00 H new ATOM 0 HB3 LYS X 111 14.700 16.698 -6.506 1.00 0.00 H new ATOM 0 HG2 LYS X 111 14.044 18.932 -5.300 1.00 0.00 H new ATOM 0 HG3 LYS X 111 12.899 19.152 -6.607 1.00 0.00 H new ATOM 0 HD2 LYS X 111 11.725 17.991 -4.818 1.00 0.00 H new ATOM 0 HD3 LYS X 111 11.968 16.834 -6.112 1.00 0.00 H new ATOM 0 HE2 LYS X 111 14.208 16.943 -4.130 1.00 0.00 H new ATOM 0 HE3 LYS X 111 12.683 16.394 -3.463 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 14.408 14.843 -4.856 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 12.760 14.496 -4.644 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 13.289 15.264 -6.062 1.00 0.00 H new ATOM 3278 N THR X 112 14.942 20.796 -6.982 1.00 0.00 N ATOM 3279 CA THR X 112 14.502 22.136 -7.468 1.00 0.00 C ATOM 3280 C THR X 112 15.562 22.667 -8.431 1.00 0.00 C ATOM 3281 O THR X 112 15.260 23.298 -9.425 1.00 0.00 O ATOM 3282 CB THR X 112 14.335 23.108 -6.295 1.00 0.00 C ATOM 3283 OG1 THR X 112 15.556 23.204 -5.576 1.00 0.00 O ATOM 3284 CG2 THR X 112 13.225 22.610 -5.368 1.00 0.00 C ATOM 0 H THR X 112 15.072 20.710 -5.974 1.00 0.00 H new ATOM 0 HA THR X 112 13.540 22.045 -7.972 1.00 0.00 H new ATOM 0 HB THR X 112 14.067 24.093 -6.678 1.00 0.00 H new ATOM 0 HG1 THR X 112 16.118 22.428 -5.781 1.00 0.00 H new ATOM 0 HG21 THR X 112 13.108 23.303 -4.535 1.00 0.00 H new ATOM 0 HG22 THR X 112 12.288 22.548 -5.922 1.00 0.00 H new ATOM 0 HG23 THR X 112 13.486 21.623 -4.985 1.00 0.00 H new ATOM 3292 N GLU X 113 16.807 22.403 -8.142 1.00 0.00 N ATOM 3293 CA GLU X 113 17.908 22.872 -9.031 1.00 0.00 C ATOM 3294 CB GLU X 113 17.943 22.013 -10.297 1.00 0.00 C ATOM 3295 CG GLU X 113 18.080 20.535 -9.915 1.00 0.00 C ATOM 3296 CD GLU X 113 18.114 19.682 -11.185 1.00 0.00 C ATOM 3297 OE1 GLU X 113 17.853 20.224 -12.247 1.00 0.00 O ATOM 3298 OE2 GLU X 113 18.406 18.502 -11.076 1.00 0.00 O ATOM 0 H GLU X 113 17.111 21.878 -7.322 1.00 0.00 H new ATOM 0 HB2 GLU X 113 17.033 22.166 -10.877 1.00 0.00 H new ATOM 0 HB3 GLU X 113 18.778 22.314 -10.929 1.00 0.00 H new ATOM 0 HG2 GLU X 113 18.990 20.381 -9.336 1.00 0.00 H new ATOM 0 HG3 GLU X 113 17.245 20.233 -9.283 1.00 0.00 H new ATOM 3493 N ARG Y 104 -9.425 15.760 -29.345 1.00 0.00 N ATOM 3494 CA ARG Y 104 -9.367 14.981 -28.077 1.00 0.00 C ATOM 3495 C ARG Y 104 -8.197 15.500 -27.235 1.00 0.00 C ATOM 3496 O ARG Y 104 -8.299 15.681 -26.035 1.00 0.00 O ATOM 3497 CB ARG Y 104 -9.119 13.513 -28.424 1.00 0.00 C ATOM 3498 CG ARG Y 104 -10.364 12.927 -29.086 1.00 0.00 C ATOM 3499 CD ARG Y 104 -10.014 11.557 -29.666 1.00 0.00 C ATOM 3500 NE ARG Y 104 -11.256 10.869 -30.153 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -12.238 10.567 -29.349 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -12.118 10.740 -28.062 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -13.333 10.051 -29.832 1.00 0.00 N ATOM 0 HA ARG Y 104 -10.299 15.084 -27.521 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -8.263 13.426 -29.094 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -8.876 12.951 -27.522 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -11.170 12.834 -28.358 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -10.721 13.591 -29.874 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -9.307 11.671 -30.487 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -9.525 10.947 -28.907 1.00 0.00 H new ATOM 0 HE ARG Y 104 -11.335 10.631 -31.142 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -11.251 11.114 -27.676 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -12.891 10.501 -27.441 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -13.419 9.885 -30.835 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -14.103 9.813 -29.207 1.00 0.00 H new ATOM 3517 N HIS Y 105 -7.087 15.756 -27.866 1.00 0.00 N ATOM 3518 CA HIS Y 105 -5.908 16.277 -27.127 1.00 0.00 C ATOM 3519 C HIS Y 105 -6.279 17.611 -26.481 1.00 0.00 C ATOM 3520 O HIS Y 105 -5.905 17.897 -25.362 1.00 0.00 O ATOM 3521 CB HIS Y 105 -4.745 16.475 -28.097 1.00 0.00 C ATOM 3522 CG HIS Y 105 -3.486 16.742 -27.321 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -3.039 15.888 -26.321 1.00 0.00 N ATOM 3524 CD2 HIS Y 105 -2.560 17.753 -27.393 1.00 0.00 C ATOM 3525 CE1 HIS Y 105 -1.890 16.395 -25.839 1.00 0.00 C ATOM 3526 NE2 HIS Y 105 -1.556 17.529 -26.459 1.00 0.00 N ATOM 0 H HIS Y 105 -6.946 15.626 -28.868 1.00 0.00 H new ATOM 0 HA HIS Y 105 -5.609 15.568 -26.355 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -4.621 15.588 -28.719 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -4.955 17.308 -28.768 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -2.605 18.593 -28.071 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -1.310 15.941 -25.049 1.00 0.00 H new ATOM 0 HE2 HIS Y 105 -0.736 18.109 -26.284 1.00 0.00 H new ATOM 3535 N LYS Y 106 -7.018 18.428 -27.183 1.00 0.00 N ATOM 3536 CA LYS Y 106 -7.421 19.746 -26.620 1.00 0.00 C ATOM 3537 C LYS Y 106 -8.162 19.495 -25.306 1.00 0.00 C ATOM 3538 O LYS Y 106 -8.118 20.293 -24.388 1.00 0.00 O ATOM 3539 CB LYS Y 106 -8.334 20.469 -27.626 1.00 0.00 C ATOM 3540 CG LYS Y 106 -8.774 21.847 -27.098 1.00 0.00 C ATOM 3541 CD LYS Y 106 -7.593 22.827 -27.107 1.00 0.00 C ATOM 3542 CE LYS Y 106 -8.112 24.251 -26.896 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -8.819 24.712 -28.124 1.00 0.00 N ATOM 0 H LYS Y 106 -7.360 18.237 -28.125 1.00 0.00 H new ATOM 0 HA LYS Y 106 -6.549 20.372 -26.433 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -7.809 20.592 -28.573 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -9.213 19.857 -27.826 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -9.583 22.238 -27.714 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -9.164 21.747 -26.085 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -6.884 22.566 -26.321 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -7.058 22.760 -28.054 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -8.789 24.279 -26.042 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -7.283 24.921 -26.668 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -8.827 25.752 -28.150 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -8.327 24.348 -28.965 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -9.797 24.358 -28.115 1.00 0.00 H new ATOM 3557 N LYS Y 107 -8.834 18.384 -25.193 1.00 0.00 N ATOM 3558 CA LYS Y 107 -9.546 18.109 -23.922 1.00 0.00 C ATOM 3559 C LYS Y 107 -8.509 18.081 -22.802 1.00 0.00 C ATOM 3560 O LYS Y 107 -8.737 18.604 -21.742 1.00 0.00 O ATOM 3561 CB LYS Y 107 -10.255 16.752 -23.994 1.00 0.00 C ATOM 3562 CG LYS Y 107 -11.064 16.530 -22.713 1.00 0.00 C ATOM 3563 CD LYS Y 107 -11.773 15.175 -22.781 1.00 0.00 C ATOM 3564 CE LYS Y 107 -12.571 14.950 -21.494 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -13.467 13.770 -21.660 1.00 0.00 N ATOM 0 H LYS Y 107 -8.919 17.667 -25.914 1.00 0.00 H new ATOM 0 HA LYS Y 107 -10.294 18.880 -23.739 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -10.913 16.719 -24.863 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -9.523 15.954 -24.118 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -10.406 16.564 -21.845 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -11.796 17.329 -22.590 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -12.438 15.144 -23.644 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -11.043 14.377 -22.913 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -11.892 14.789 -20.657 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -13.160 15.837 -21.260 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -14.008 13.619 -20.785 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -14.124 13.941 -22.448 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -12.895 12.926 -21.863 1.00 0.00 H new ATOM 3579 N LEU Y 108 -7.359 17.498 -23.040 1.00 0.00 N ATOM 3580 CA LEU Y 108 -6.300 17.466 -21.977 1.00 0.00 C ATOM 3581 C LEU Y 108 -5.814 18.895 -21.690 1.00 0.00 C ATOM 3582 O LEU Y 108 -5.550 19.260 -20.561 1.00 0.00 O ATOM 3583 CB LEU Y 108 -5.111 16.609 -22.444 1.00 0.00 C ATOM 3584 CG LEU Y 108 -4.199 16.265 -21.244 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -4.743 15.041 -20.492 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -2.779 15.952 -21.738 1.00 0.00 C ATOM 0 H LEU Y 108 -7.107 17.045 -23.918 1.00 0.00 H new ATOM 0 HA LEU Y 108 -6.722 17.033 -21.070 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -5.474 15.692 -22.909 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -4.541 17.147 -23.202 1.00 0.00 H new ATOM 0 HG LEU Y 108 -4.178 17.124 -20.573 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -4.090 14.811 -19.650 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -5.747 15.256 -20.125 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -4.779 14.186 -21.167 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -2.143 15.711 -20.887 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -2.810 15.102 -22.420 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -2.375 16.820 -22.258 1.00 0.00 H new ATOM 3598 N MET Y 109 -5.683 19.707 -22.701 1.00 0.00 N ATOM 3599 CA MET Y 109 -5.204 21.103 -22.475 1.00 0.00 C ATOM 3600 C MET Y 109 -5.988 21.743 -21.322 1.00 0.00 C ATOM 3601 O MET Y 109 -5.513 22.669 -20.698 1.00 0.00 O ATOM 3602 CB MET Y 109 -5.364 21.942 -23.755 1.00 0.00 C ATOM 3603 CG MET Y 109 -4.187 21.682 -24.701 1.00 0.00 C ATOM 3604 SD MET Y 109 -4.160 19.930 -25.168 1.00 0.00 S ATOM 3605 CE MET Y 109 -2.580 19.469 -24.407 1.00 0.00 C ATOM 0 H MET Y 109 -5.886 19.468 -23.672 1.00 0.00 H new ATOM 0 HA MET Y 109 -4.146 21.072 -22.213 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -6.302 21.690 -24.250 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -5.411 23.001 -23.502 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -4.278 22.305 -25.591 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -3.250 21.954 -24.216 1.00 0.00 H new ATOM 0 HE1 MET Y 109 -2.606 18.417 -24.124 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -1.771 19.633 -25.119 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -2.412 20.080 -23.520 1.00 0.00 H new ATOM 3615 N PHE Y 110 -7.187 21.282 -21.043 1.00 0.00 N ATOM 3616 CA PHE Y 110 -7.986 21.903 -19.930 1.00 0.00 C ATOM 3617 C PHE Y 110 -7.069 22.211 -18.733 1.00 0.00 C ATOM 3618 O PHE Y 110 -7.098 23.291 -18.180 1.00 0.00 O ATOM 3619 CB PHE Y 110 -9.136 20.947 -19.497 1.00 0.00 C ATOM 3620 CG PHE Y 110 -8.722 20.040 -18.340 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -8.637 20.559 -17.040 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -8.430 18.687 -18.565 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -8.258 19.730 -15.976 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -8.053 17.863 -17.505 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -7.964 18.381 -16.210 1.00 0.00 C ATOM 0 H PHE Y 110 -7.644 20.512 -21.531 1.00 0.00 H new ATOM 0 HA PHE Y 110 -8.424 22.835 -20.286 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -10.005 21.535 -19.203 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -9.438 20.335 -20.347 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -8.864 21.599 -16.859 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -8.497 18.281 -19.564 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -8.193 20.131 -14.975 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -7.829 16.822 -17.685 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -7.669 17.742 -15.391 1.00 0.00 H new ATOM 3635 N LYS Y 111 -6.265 21.265 -18.331 1.00 0.00 N ATOM 3636 CA LYS Y 111 -5.355 21.496 -17.173 1.00 0.00 C ATOM 3637 C LYS Y 111 -4.192 22.405 -17.578 1.00 0.00 C ATOM 3638 O LYS Y 111 -3.694 23.173 -16.777 1.00 0.00 O ATOM 3639 CB LYS Y 111 -4.821 20.157 -16.679 1.00 0.00 C ATOM 3640 CG LYS Y 111 -3.855 19.572 -17.708 1.00 0.00 C ATOM 3641 CD LYS Y 111 -3.639 18.085 -17.408 1.00 0.00 C ATOM 3642 CE LYS Y 111 -4.924 17.287 -17.681 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -5.590 17.009 -16.377 1.00 0.00 N ATOM 0 H LYS Y 111 -6.199 20.340 -18.755 1.00 0.00 H new ATOM 0 HA LYS Y 111 -5.912 21.986 -16.374 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -4.313 20.288 -15.724 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -5.647 19.466 -16.509 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -4.256 19.698 -18.714 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -2.904 20.104 -17.675 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -2.827 17.698 -18.023 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -3.339 17.958 -16.368 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -5.590 17.851 -18.334 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -4.690 16.354 -18.194 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -6.619 17.118 -16.482 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -5.374 16.037 -16.077 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -5.243 17.678 -15.660 1.00 0.00 H new ATOM 3657 N THR Y 112 -3.744 22.337 -18.804 1.00 0.00 N ATOM 3658 CA THR Y 112 -2.617 23.230 -19.206 1.00 0.00 C ATOM 3659 C THR Y 112 -3.060 24.679 -19.016 1.00 0.00 C ATOM 3660 O THR Y 112 -2.292 25.533 -18.622 1.00 0.00 O ATOM 3661 CB THR Y 112 -2.237 22.998 -20.671 1.00 0.00 C ATOM 3662 OG1 THR Y 112 -3.377 23.189 -21.497 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -1.701 21.577 -20.843 1.00 0.00 C ATOM 0 H THR Y 112 -4.100 21.716 -19.531 1.00 0.00 H new ATOM 0 HA THR Y 112 -1.745 23.012 -18.590 1.00 0.00 H new ATOM 0 HB THR Y 112 -1.464 23.709 -20.961 1.00 0.00 H new ATOM 0 HG1 THR Y 112 -4.187 23.171 -20.946 1.00 0.00 H new ATOM 0 HG21 THR Y 112 -1.431 21.414 -21.886 1.00 0.00 H new ATOM 0 HG22 THR Y 112 -0.820 21.442 -20.215 1.00 0.00 H new ATOM 0 HG23 THR Y 112 -2.469 20.861 -20.551 1.00 0.00 H new ATOM 3671 N GLU Y 113 -4.307 24.954 -19.288 1.00 0.00 N ATOM 3672 CA GLU Y 113 -4.831 26.339 -19.122 1.00 0.00 C ATOM 3673 CB GLU Y 113 -5.022 26.636 -17.633 1.00 0.00 C ATOM 3674 CG GLU Y 113 -5.935 25.576 -17.003 1.00 0.00 C ATOM 3675 CD GLU Y 113 -6.119 25.886 -15.517 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -5.416 26.751 -15.021 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -6.961 25.254 -14.900 1.00 0.00 O ATOM 0 H GLU Y 113 -4.990 24.273 -19.621 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -4.056 26.644 -17.128 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -5.457 27.627 -17.504 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -6.902 25.566 -17.507 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -5.500 24.584 -17.128 1.00 0.00 H new