USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 932 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: A 102 THR OG1 : rot 144:sc= 0.448 USER MOD Set 1.2: A 109 LYS NZ :NH3+ -176:sc= 0.54 (180deg=-0.238) USER MOD Set 2.1: A 103 SER OG : rot 180:sc= -0.546 USER MOD Set 2.2: A 105 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 106 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 25 THR OG1 : rot 154:sc= 0.203 USER MOD Set 3.2: A 98 MET CE :methyl -108:sc= -0.033 (180deg=-2.01!) USER MOD Set 3.3: A 112 ASN : amide:sc= 0.29 K(o=0.46,f=-0.23) USER MOD Set 4.1: A 37 TYR OH : rot 31:sc= 0.338 USER MOD Set 4.2: A 49 HIS : no HD1:sc= 0.257 K(o=-0.97,f=-4.9) USER MOD Set 4.3: A 77 HIS : no HD1:sc= -0.578 K(o=-0.97,f=-4.2) USER MOD Set 4.4: A 78 MET CE :methyl 171:sc= -0.355 (180deg=-0.405) USER MOD Set 4.5: A 81 MET CE :methyl 175:sc= -0.635 (180deg=-0.229) USER MOD Set 5.1: A 6 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.22) USER MOD Set 5.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 17 MET CE :methyl 177:sc= -2.59! (180deg=-2.61!) USER MOD Set 6.3: A 113 HIS : no HE2:sc= -0.132 X(o=-2.7,f=-2.8) USER MOD Set 7.1: A 1 MET N :NH3+ 139:sc= 0.361 (180deg=-0.393) USER MOD Set 7.2: A 97 TYR OH : rot 180:sc= 0.00701 USER MOD Single : A 1 MET CE :methyl -123:sc= -1.63 (180deg=-1.72) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 93:sc= 0.498 USER MOD Single : A 10 ASN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 11 THR OG1 : rot -160:sc= 0 USER MOD Single : A 12 SER OG : rot 40:sc= 0.12 USER MOD Single : A 13 HIS : +bothHN:sc= 0.2 K(o=0.2,f=-1.4) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000519) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 33 TYR OH : rot 180:sc= 0.102 USER MOD Single : A 36 SER OG : rot 110:sc= 0.425 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 40 THR OG1 : rot -57:sc= 0.373 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 48 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.3) USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= -0.0129 (180deg=-0.0697) USER MOD Single : A 54 GLN : amide:sc= 0.531 K(o=0.53,f=-0.49) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -112:sc= 0.978 (180deg=-0.0172) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.022 F(o=-1.6!,f=-0.022) USER MOD Single : A 76 SER OG : rot 180:sc= -1.6 USER MOD Single : A 79 LYS NZ :NH3+ -141:sc= -1.47 (180deg=-3.5!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 162:sc= -0.06 (180deg=-0.386) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -72:sc= 0.331 USER MOD Single : A 111 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00748) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -140:sc= -0.807 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 159:sc= 0.854 (180deg=0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.026 16.171 -2.568 1.00 43.13 N ATOM 2 CA MET A 1 -4.041 16.294 -4.057 1.00 31.21 C ATOM 3 C MET A 1 -5.347 15.716 -4.641 1.00 1.33 C ATOM 4 O MET A 1 -5.905 14.768 -4.092 1.00 15.25 O ATOM 5 CB MET A 1 -2.795 15.587 -4.649 1.00 34.03 C ATOM 6 CG MET A 1 -2.623 14.117 -4.228 1.00 0.32 C ATOM 7 SD MET A 1 -1.034 13.429 -4.732 1.00 63.22 S ATOM 8 CE MET A 1 0.109 14.522 -3.875 1.00 43.54 C ATOM 0 H1 MET A 1 -3.077 15.884 -2.253 1.00 43.13 H new ATOM 0 H2 MET A 1 -4.270 17.088 -2.141 1.00 43.13 H new ATOM 0 H3 MET A 1 -4.720 15.455 -2.272 1.00 43.13 H new ATOM 0 HA MET A 1 -4.003 17.349 -4.330 1.00 31.21 H new ATOM 0 HB2 MET A 1 -2.851 15.634 -5.737 1.00 34.03 H new ATOM 0 HB3 MET A 1 -1.905 16.141 -4.351 1.00 34.03 H new ATOM 0 HG2 MET A 1 -2.720 14.040 -3.145 1.00 0.32 H new ATOM 0 HG3 MET A 1 -3.426 13.522 -4.663 1.00 0.32 H new ATOM 0 HE1 MET A 1 0.783 14.983 -4.597 1.00 43.54 H new ATOM 0 HE2 MET A 1 -0.451 15.299 -3.355 1.00 43.54 H new ATOM 0 HE3 MET A 1 0.689 13.948 -3.153 1.00 43.54 H new ATOM 20 N LYS A 2 -5.831 16.298 -5.755 1.00 54.35 N ATOM 21 CA LYS A 2 -7.114 15.894 -6.389 1.00 22.23 C ATOM 22 C LYS A 2 -6.906 14.797 -7.456 1.00 61.22 C ATOM 23 O LYS A 2 -5.799 14.611 -7.966 1.00 31.11 O ATOM 24 CB LYS A 2 -7.798 17.134 -7.025 1.00 32.15 C ATOM 25 CG LYS A 2 -8.027 18.312 -6.048 1.00 55.43 C ATOM 26 CD LYS A 2 -8.935 17.941 -4.849 1.00 4.12 C ATOM 27 CE LYS A 2 -9.158 19.126 -3.893 1.00 4.14 C ATOM 28 NZ LYS A 2 -10.048 18.764 -2.768 1.00 71.03 N ATOM 0 H LYS A 2 -5.353 17.056 -6.242 1.00 54.35 H new ATOM 0 HA LYS A 2 -7.756 15.479 -5.612 1.00 22.23 H new ATOM 0 HB2 LYS A 2 -7.187 17.483 -7.858 1.00 32.15 H new ATOM 0 HB3 LYS A 2 -8.759 16.830 -7.440 1.00 32.15 H new ATOM 0 HG2 LYS A 2 -7.064 18.657 -5.673 1.00 55.43 H new ATOM 0 HG3 LYS A 2 -8.475 19.144 -6.591 1.00 55.43 H new ATOM 0 HD2 LYS A 2 -9.898 17.591 -5.221 1.00 4.12 H new ATOM 0 HD3 LYS A 2 -8.486 17.114 -4.299 1.00 4.12 H new ATOM 0 HE2 LYS A 2 -8.198 19.464 -3.503 1.00 4.14 H new ATOM 0 HE3 LYS A 2 -9.590 19.961 -4.444 1.00 4.14 H new ATOM 0 HZ1 LYS A 2 -10.174 19.588 -2.146 1.00 71.03 H new ATOM 0 HZ2 LYS A 2 -10.973 18.465 -3.139 1.00 71.03 H new ATOM 0 HZ3 LYS A 2 -9.624 17.984 -2.227 1.00 71.03 H new ATOM 42 N VAL A 3 -7.983 14.056 -7.772 1.00 52.33 N ATOM 43 CA VAL A 3 -7.974 13.070 -8.871 1.00 54.31 C ATOM 44 C VAL A 3 -7.854 13.783 -10.248 1.00 54.13 C ATOM 45 O VAL A 3 -8.671 14.642 -10.593 1.00 23.32 O ATOM 46 CB VAL A 3 -9.239 12.134 -8.836 1.00 2.33 C ATOM 47 CG1 VAL A 3 -9.188 11.064 -9.963 1.00 41.30 C ATOM 48 CG2 VAL A 3 -9.390 11.455 -7.448 1.00 5.35 C ATOM 0 H VAL A 3 -8.874 14.121 -7.281 1.00 52.33 H new ATOM 0 HA VAL A 3 -7.099 12.435 -8.729 1.00 54.31 H new ATOM 0 HB VAL A 3 -10.113 12.762 -9.010 1.00 2.33 H new ATOM 0 HG11 VAL A 3 -10.077 10.436 -9.909 1.00 41.30 H new ATOM 0 HG12 VAL A 3 -9.152 11.559 -10.933 1.00 41.30 H new ATOM 0 HG13 VAL A 3 -8.299 10.446 -9.838 1.00 41.30 H new ATOM 0 HG21 VAL A 3 -10.271 10.814 -7.451 1.00 5.35 H new ATOM 0 HG22 VAL A 3 -8.505 10.854 -7.239 1.00 5.35 H new ATOM 0 HG23 VAL A 3 -9.500 12.220 -6.679 1.00 5.35 H new ATOM 58 N GLY A 4 -6.822 13.403 -11.010 1.00 43.04 N ATOM 59 CA GLY A 4 -6.472 14.058 -12.278 1.00 5.21 C ATOM 60 C GLY A 4 -5.220 14.934 -12.174 1.00 62.53 C ATOM 61 O GLY A 4 -4.767 15.491 -13.174 1.00 14.45 O ATOM 0 H GLY A 4 -6.203 12.630 -10.765 1.00 43.04 H new ATOM 0 HA2 GLY A 4 -6.314 13.297 -13.042 1.00 5.21 H new ATOM 0 HA3 GLY A 4 -7.311 14.671 -12.608 1.00 5.21 H new ATOM 65 N SER A 5 -4.666 15.068 -10.953 1.00 33.22 N ATOM 66 CA SER A 5 -3.439 15.871 -10.703 1.00 65.53 C ATOM 67 C SER A 5 -2.154 15.142 -11.152 1.00 54.34 C ATOM 68 O SER A 5 -2.005 13.934 -10.947 1.00 55.22 O ATOM 69 CB SER A 5 -3.307 16.224 -9.200 1.00 32.11 C ATOM 70 OG SER A 5 -4.387 17.026 -8.746 1.00 30.32 O ATOM 0 H SER A 5 -5.048 14.629 -10.115 1.00 33.22 H new ATOM 0 HA SER A 5 -3.546 16.780 -11.295 1.00 65.53 H new ATOM 0 HB2 SER A 5 -3.266 15.306 -8.614 1.00 32.11 H new ATOM 0 HB3 SER A 5 -2.368 16.752 -9.032 1.00 32.11 H new ATOM 0 HG SER A 5 -5.089 16.451 -8.376 1.00 30.32 H new ATOM 76 N GLN A 6 -1.220 15.915 -11.736 1.00 10.44 N ATOM 77 CA GLN A 6 0.146 15.448 -12.063 1.00 32.05 C ATOM 78 C GLN A 6 1.055 15.757 -10.858 1.00 44.00 C ATOM 79 O GLN A 6 1.267 16.926 -10.513 1.00 72.44 O ATOM 80 CB GLN A 6 0.702 16.125 -13.355 1.00 12.15 C ATOM 81 CG GLN A 6 0.126 15.608 -14.691 1.00 11.05 C ATOM 82 CD GLN A 6 -1.379 15.805 -14.835 1.00 12.10 C ATOM 83 OE1 GLN A 6 -2.163 14.937 -14.483 1.00 23.05 O ATOM 84 NE2 GLN A 6 -1.795 16.966 -15.304 1.00 33.01 N ATOM 0 H GLN A 6 -1.390 16.886 -11.997 1.00 10.44 H new ATOM 0 HA GLN A 6 0.120 14.376 -12.261 1.00 32.05 H new ATOM 0 HB2 GLN A 6 0.512 17.196 -13.291 1.00 12.15 H new ATOM 0 HB3 GLN A 6 1.784 15.994 -13.373 1.00 12.15 H new ATOM 0 HG2 GLN A 6 0.629 16.117 -15.513 1.00 11.05 H new ATOM 0 HG3 GLN A 6 0.354 14.546 -14.787 1.00 11.05 H new ATOM 0 HE21 GLN A 6 -1.117 17.673 -15.591 1.00 33.01 H new ATOM 0 HE22 GLN A 6 -2.794 17.157 -15.380 1.00 33.01 H new ATOM 93 N VAL A 7 1.562 14.702 -10.217 1.00 44.52 N ATOM 94 CA VAL A 7 2.287 14.797 -8.935 1.00 1.31 C ATOM 95 C VAL A 7 3.647 14.078 -9.006 1.00 30.51 C ATOM 96 O VAL A 7 3.833 13.156 -9.799 1.00 62.22 O ATOM 97 CB VAL A 7 1.417 14.216 -7.752 1.00 65.20 C ATOM 98 CG1 VAL A 7 0.126 15.050 -7.553 1.00 13.11 C ATOM 99 CG2 VAL A 7 1.084 12.711 -7.957 1.00 74.24 C ATOM 0 H VAL A 7 1.484 13.748 -10.570 1.00 44.52 H new ATOM 0 HA VAL A 7 2.474 15.853 -8.740 1.00 1.31 H new ATOM 0 HB VAL A 7 2.016 14.291 -6.844 1.00 65.20 H new ATOM 0 HG11 VAL A 7 -0.456 14.630 -6.733 1.00 13.11 H new ATOM 0 HG12 VAL A 7 0.391 16.081 -7.319 1.00 13.11 H new ATOM 0 HG13 VAL A 7 -0.467 15.027 -8.467 1.00 13.11 H new ATOM 0 HG21 VAL A 7 0.485 12.354 -7.120 1.00 74.24 H new ATOM 0 HG22 VAL A 7 0.524 12.585 -8.884 1.00 74.24 H new ATOM 0 HG23 VAL A 7 2.009 12.138 -8.011 1.00 74.24 H new ATOM 109 N ILE A 8 4.597 14.525 -8.174 1.00 32.41 N ATOM 110 CA ILE A 8 5.945 13.927 -8.075 1.00 2.03 C ATOM 111 C ILE A 8 6.028 12.999 -6.837 1.00 1.24 C ATOM 112 O ILE A 8 5.828 13.448 -5.709 1.00 61.24 O ATOM 113 CB ILE A 8 7.048 15.052 -7.977 1.00 62.12 C ATOM 114 CG1 ILE A 8 6.894 16.098 -9.133 1.00 23.41 C ATOM 115 CG2 ILE A 8 8.480 14.443 -7.964 1.00 31.42 C ATOM 116 CD1 ILE A 8 7.038 15.541 -10.540 1.00 42.12 C ATOM 0 H ILE A 8 4.456 15.316 -7.545 1.00 32.41 H new ATOM 0 HA ILE A 8 6.126 13.339 -8.975 1.00 2.03 H new ATOM 0 HB ILE A 8 6.901 15.573 -7.031 1.00 62.12 H new ATOM 0 HG12 ILE A 8 5.915 16.569 -9.046 1.00 23.41 H new ATOM 0 HG13 ILE A 8 7.639 16.882 -8.993 1.00 23.41 H new ATOM 0 HG21 ILE A 8 9.216 15.244 -7.896 1.00 31.42 H new ATOM 0 HG22 ILE A 8 8.585 13.780 -7.106 1.00 31.42 H new ATOM 0 HG23 ILE A 8 8.643 13.878 -8.882 1.00 31.42 H new ATOM 0 HD11 ILE A 8 6.914 16.346 -11.264 1.00 42.12 H new ATOM 0 HD12 ILE A 8 8.027 15.097 -10.656 1.00 42.12 H new ATOM 0 HD13 ILE A 8 6.276 14.780 -10.710 1.00 42.12 H new ATOM 128 N ILE A 9 6.355 11.716 -7.047 1.00 70.04 N ATOM 129 CA ILE A 9 6.376 10.710 -5.962 1.00 70.31 C ATOM 130 C ILE A 9 7.687 10.823 -5.144 1.00 43.44 C ATOM 131 O ILE A 9 8.782 10.673 -5.692 1.00 23.33 O ATOM 132 CB ILE A 9 6.215 9.255 -6.530 1.00 3.31 C ATOM 133 CG1 ILE A 9 4.972 9.177 -7.474 1.00 75.32 C ATOM 134 CG2 ILE A 9 6.112 8.220 -5.376 1.00 0.24 C ATOM 135 CD1 ILE A 9 4.783 7.840 -8.168 1.00 65.44 C ATOM 0 H ILE A 9 6.611 11.344 -7.962 1.00 70.04 H new ATOM 0 HA ILE A 9 5.530 10.912 -5.305 1.00 70.31 H new ATOM 0 HB ILE A 9 7.102 9.009 -7.115 1.00 3.31 H new ATOM 0 HG12 ILE A 9 4.077 9.398 -6.892 1.00 75.32 H new ATOM 0 HG13 ILE A 9 5.060 9.955 -8.232 1.00 75.32 H new ATOM 0 HG21 ILE A 9 6.001 7.219 -5.794 1.00 0.24 H new ATOM 0 HG22 ILE A 9 7.016 8.261 -4.768 1.00 0.24 H new ATOM 0 HG23 ILE A 9 5.247 8.452 -4.755 1.00 0.24 H new ATOM 0 HD11 ILE A 9 3.897 7.881 -8.801 1.00 65.44 H new ATOM 0 HD12 ILE A 9 5.657 7.622 -8.781 1.00 65.44 H new ATOM 0 HD13 ILE A 9 4.659 7.056 -7.421 1.00 65.44 H new ATOM 147 N ASN A 10 7.564 11.079 -3.830 1.00 63.22 N ATOM 148 CA ASN A 10 8.721 11.360 -2.938 1.00 13.22 C ATOM 149 C ASN A 10 9.261 10.058 -2.249 1.00 55.44 C ATOM 150 O ASN A 10 10.224 10.108 -1.478 1.00 23.35 O ATOM 151 CB ASN A 10 8.278 12.423 -1.877 1.00 62.12 C ATOM 152 CG ASN A 10 9.445 13.171 -1.221 1.00 5.42 C ATOM 153 OD1 ASN A 10 9.846 14.245 -1.668 1.00 43.55 O ATOM 154 ND2 ASN A 10 10.008 12.607 -0.172 1.00 64.05 N ATOM 0 H ASN A 10 6.665 11.099 -3.349 1.00 63.22 H new ATOM 0 HA ASN A 10 9.546 11.751 -3.533 1.00 13.22 H new ATOM 0 HB2 ASN A 10 7.619 13.147 -2.356 1.00 62.12 H new ATOM 0 HB3 ASN A 10 7.696 11.926 -1.101 1.00 62.12 H new ATOM 0 HD21 ASN A 10 10.796 13.061 0.290 1.00 64.05 H new ATOM 0 HD22 ASN A 10 9.656 11.716 0.178 1.00 64.05 H new ATOM 161 N THR A 11 8.649 8.889 -2.554 1.00 24.32 N ATOM 162 CA THR A 11 8.935 7.604 -1.843 1.00 71.32 C ATOM 163 C THR A 11 8.914 6.396 -2.813 1.00 14.01 C ATOM 164 O THR A 11 8.247 6.437 -3.849 1.00 21.42 O ATOM 165 CB THR A 11 7.880 7.366 -0.703 1.00 72.33 C ATOM 166 OG1 THR A 11 7.773 8.542 0.107 1.00 22.14 O ATOM 167 CG2 THR A 11 8.230 6.173 0.209 1.00 63.22 C ATOM 0 H THR A 11 7.949 8.802 -3.291 1.00 24.32 H new ATOM 0 HA THR A 11 9.934 7.686 -1.415 1.00 71.32 H new ATOM 0 HB THR A 11 6.936 7.138 -1.198 1.00 72.33 H new ATOM 0 HG1 THR A 11 7.380 8.308 0.974 1.00 22.14 H new ATOM 0 HG21 THR A 11 7.462 6.063 0.975 1.00 63.22 H new ATOM 0 HG22 THR A 11 8.281 5.262 -0.387 1.00 63.22 H new ATOM 0 HG23 THR A 11 9.194 6.350 0.685 1.00 63.22 H new ATOM 175 N SER A 12 9.641 5.315 -2.460 1.00 51.04 N ATOM 176 CA SER A 12 9.618 4.039 -3.213 1.00 60.34 C ATOM 177 C SER A 12 9.089 2.868 -2.354 1.00 73.24 C ATOM 178 O SER A 12 9.674 2.500 -1.336 1.00 33.02 O ATOM 179 CB SER A 12 11.030 3.687 -3.744 1.00 73.13 C ATOM 180 OG SER A 12 12.012 3.708 -2.716 1.00 71.03 O ATOM 0 H SER A 12 10.259 5.300 -1.649 1.00 51.04 H new ATOM 0 HA SER A 12 8.937 4.183 -4.052 1.00 60.34 H new ATOM 0 HB2 SER A 12 11.008 2.698 -4.202 1.00 73.13 H new ATOM 0 HB3 SER A 12 11.309 4.394 -4.525 1.00 73.13 H new ATOM 0 HG SER A 12 11.638 3.318 -1.898 1.00 71.03 H new ATOM 186 N HIS A 13 7.956 2.320 -2.791 1.00 34.40 N ATOM 187 CA HIS A 13 7.476 0.972 -2.419 1.00 62.25 C ATOM 188 C HIS A 13 7.910 -0.007 -3.541 1.00 15.30 C ATOM 189 O HIS A 13 8.197 -1.181 -3.293 1.00 15.12 O ATOM 190 CB HIS A 13 5.931 0.974 -2.241 1.00 60.51 C ATOM 191 CG HIS A 13 5.429 1.928 -1.174 1.00 31.50 C ATOM 192 ND1 HIS A 13 4.914 1.470 0.008 1.00 53.54 N ATOM 193 CD2 HIS A 13 5.366 3.289 -1.175 1.00 72.14 C ATOM 194 CE1 HIS A 13 4.549 2.537 0.692 1.00 41.21 C ATOM 195 NE2 HIS A 13 4.803 3.664 0.018 1.00 71.01 N ATOM 0 H HIS A 13 7.325 2.805 -3.429 1.00 34.40 H new ATOM 0 HA HIS A 13 7.906 0.660 -1.467 1.00 62.25 H new ATOM 0 HB2 HIS A 13 5.467 1.234 -3.192 1.00 60.51 H new ATOM 0 HB3 HIS A 13 5.604 -0.036 -1.993 1.00 60.51 H new ATOM 0 HD1 HIS A 13 4.829 0.497 0.302 1.00 53.54 H new ATOM 0 HD2 HIS A 13 5.696 3.947 -1.965 1.00 72.14 H new ATOM 0 HE1 HIS A 13 4.101 2.505 1.674 1.00 41.21 H new ATOM 0 HE2 HIS A 13 4.615 4.617 0.330 1.00 71.01 H new ATOM 203 N MET A 14 7.938 0.523 -4.788 1.00 30.33 N ATOM 204 CA MET A 14 8.559 -0.124 -5.968 1.00 13.43 C ATOM 205 C MET A 14 9.866 0.630 -6.338 1.00 43.04 C ATOM 206 O MET A 14 9.952 1.847 -6.138 1.00 51.24 O ATOM 207 CB MET A 14 7.573 -0.114 -7.166 1.00 30.30 C ATOM 208 CG MET A 14 6.264 -0.862 -6.898 1.00 51.03 C ATOM 209 SD MET A 14 6.531 -2.607 -6.503 1.00 31.23 S ATOM 210 CE MET A 14 4.879 -3.137 -6.050 1.00 13.14 C ATOM 0 H MET A 14 7.522 1.429 -5.005 1.00 30.33 H new ATOM 0 HA MET A 14 8.797 -1.160 -5.729 1.00 13.43 H new ATOM 0 HB2 MET A 14 7.343 0.919 -7.426 1.00 30.30 H new ATOM 0 HB3 MET A 14 8.064 -0.559 -8.032 1.00 30.30 H new ATOM 0 HG2 MET A 14 5.738 -0.382 -6.073 1.00 51.03 H new ATOM 0 HG3 MET A 14 5.620 -0.786 -7.774 1.00 51.03 H new ATOM 0 HE1 MET A 14 4.896 -4.194 -5.783 1.00 13.14 H new ATOM 0 HE2 MET A 14 4.530 -2.553 -5.198 1.00 13.14 H new ATOM 0 HE3 MET A 14 4.205 -2.987 -6.893 1.00 13.14 H new ATOM 220 N LYS A 15 10.851 -0.099 -6.902 1.00 44.23 N ATOM 221 CA LYS A 15 12.224 0.427 -7.177 1.00 2.42 C ATOM 222 C LYS A 15 12.225 1.677 -8.110 1.00 21.23 C ATOM 223 O LYS A 15 12.899 2.676 -7.830 1.00 3.44 O ATOM 224 CB LYS A 15 13.105 -0.711 -7.779 1.00 52.23 C ATOM 225 CG LYS A 15 14.587 -0.343 -8.073 1.00 12.41 C ATOM 226 CD LYS A 15 15.378 0.095 -6.806 1.00 24.32 C ATOM 227 CE LYS A 15 15.500 -1.013 -5.736 1.00 25.20 C ATOM 228 NZ LYS A 15 16.284 -0.564 -4.559 1.00 2.10 N ATOM 0 H LYS A 15 10.727 -1.071 -7.184 1.00 44.23 H new ATOM 0 HA LYS A 15 12.643 0.759 -6.227 1.00 2.42 H new ATOM 0 HB2 LYS A 15 13.091 -1.557 -7.091 1.00 52.23 H new ATOM 0 HB3 LYS A 15 12.644 -1.048 -8.708 1.00 52.23 H new ATOM 0 HG2 LYS A 15 15.084 -1.202 -8.524 1.00 12.41 H new ATOM 0 HG3 LYS A 15 14.615 0.463 -8.806 1.00 12.41 H new ATOM 0 HD2 LYS A 15 16.378 0.412 -7.104 1.00 24.32 H new ATOM 0 HD3 LYS A 15 14.887 0.962 -6.364 1.00 24.32 H new ATOM 0 HE2 LYS A 15 14.504 -1.317 -5.414 1.00 25.20 H new ATOM 0 HE3 LYS A 15 15.975 -1.890 -6.175 1.00 25.20 H new ATOM 0 HZ1 LYS A 15 16.342 -1.337 -3.865 1.00 2.10 H new ATOM 0 HZ2 LYS A 15 17.243 -0.298 -4.862 1.00 2.10 H new ATOM 0 HZ3 LYS A 15 15.818 0.257 -4.124 1.00 2.10 H new ATOM 242 N GLY A 16 11.441 1.613 -9.193 1.00 5.34 N ATOM 243 CA GLY A 16 11.371 2.696 -10.191 1.00 35.21 C ATOM 244 C GLY A 16 10.409 3.840 -9.846 1.00 31.12 C ATOM 245 O GLY A 16 10.263 4.783 -10.631 1.00 23.24 O ATOM 0 H GLY A 16 10.840 0.817 -9.405 1.00 5.34 H new ATOM 0 HA2 GLY A 16 12.370 3.111 -10.325 1.00 35.21 H new ATOM 0 HA3 GLY A 16 11.073 2.268 -11.148 1.00 35.21 H new ATOM 249 N MET A 17 9.766 3.777 -8.668 1.00 71.30 N ATOM 250 CA MET A 17 8.674 4.711 -8.313 1.00 22.51 C ATOM 251 C MET A 17 9.210 6.006 -7.652 1.00 50.11 C ATOM 252 O MET A 17 8.568 7.063 -7.734 1.00 75.40 O ATOM 253 CB MET A 17 7.635 4.020 -7.394 1.00 50.00 C ATOM 254 CG MET A 17 6.344 4.835 -7.220 1.00 62.33 C ATOM 255 SD MET A 17 5.011 3.926 -6.427 1.00 51.40 S ATOM 256 CE MET A 17 5.669 3.715 -4.795 1.00 0.03 C ATOM 0 H MET A 17 9.980 3.092 -7.944 1.00 71.30 H new ATOM 0 HA MET A 17 8.182 4.998 -9.242 1.00 22.51 H new ATOM 0 HB2 MET A 17 7.387 3.043 -7.808 1.00 50.00 H new ATOM 0 HB3 MET A 17 8.083 3.848 -6.415 1.00 50.00 H new ATOM 0 HG2 MET A 17 6.564 5.725 -6.631 1.00 62.33 H new ATOM 0 HG3 MET A 17 6.006 5.176 -8.199 1.00 62.33 H new ATOM 0 HE1 MET A 17 4.932 3.213 -4.168 1.00 0.03 H new ATOM 0 HE2 MET A 17 6.575 3.112 -4.843 1.00 0.03 H new ATOM 0 HE3 MET A 17 5.905 4.690 -4.369 1.00 0.03 H new ATOM 266 N LYS A 18 10.384 5.917 -7.000 1.00 43.14 N ATOM 267 CA LYS A 18 11.015 7.078 -6.335 1.00 10.22 C ATOM 268 C LYS A 18 11.448 8.135 -7.378 1.00 43.35 C ATOM 269 O LYS A 18 12.255 7.847 -8.272 1.00 2.24 O ATOM 270 CB LYS A 18 12.234 6.613 -5.505 1.00 3.20 C ATOM 271 CG LYS A 18 12.912 7.710 -4.652 1.00 23.01 C ATOM 272 CD LYS A 18 14.031 7.150 -3.741 1.00 71.42 C ATOM 273 CE LYS A 18 15.159 6.452 -4.531 1.00 45.21 C ATOM 274 NZ LYS A 18 15.866 7.383 -5.447 1.00 43.53 N ATOM 0 H LYS A 18 10.918 5.052 -6.918 1.00 43.14 H new ATOM 0 HA LYS A 18 10.285 7.536 -5.667 1.00 10.22 H new ATOM 0 HB2 LYS A 18 11.916 5.807 -4.844 1.00 3.20 H new ATOM 0 HB3 LYS A 18 12.976 6.194 -6.184 1.00 3.20 H new ATOM 0 HG2 LYS A 18 13.332 8.470 -5.311 1.00 23.01 H new ATOM 0 HG3 LYS A 18 12.160 8.203 -4.036 1.00 23.01 H new ATOM 0 HD2 LYS A 18 14.456 7.964 -3.154 1.00 71.42 H new ATOM 0 HD3 LYS A 18 13.597 6.442 -3.035 1.00 71.42 H new ATOM 0 HE2 LYS A 18 15.875 6.020 -3.832 1.00 45.21 H new ATOM 0 HE3 LYS A 18 14.739 5.628 -5.108 1.00 45.21 H new ATOM 0 HZ1 LYS A 18 16.625 6.873 -5.943 1.00 43.53 H new ATOM 0 HZ2 LYS A 18 15.193 7.763 -6.143 1.00 43.53 H new ATOM 0 HZ3 LYS A 18 16.276 8.165 -4.898 1.00 43.53 H new ATOM 288 N GLY A 19 10.877 9.342 -7.257 1.00 14.12 N ATOM 289 CA GLY A 19 11.156 10.451 -8.177 1.00 13.23 C ATOM 290 C GLY A 19 10.376 10.393 -9.500 1.00 22.34 C ATOM 291 O GLY A 19 10.542 11.274 -10.353 1.00 4.34 O ATOM 0 H GLY A 19 10.211 9.575 -6.521 1.00 14.12 H new ATOM 0 HA2 GLY A 19 10.925 11.390 -7.674 1.00 13.23 H new ATOM 0 HA3 GLY A 19 12.223 10.462 -8.399 1.00 13.23 H new ATOM 295 N ALA A 20 9.525 9.359 -9.669 1.00 33.42 N ATOM 296 CA ALA A 20 8.674 9.203 -10.871 1.00 64.12 C ATOM 297 C ALA A 20 7.456 10.153 -10.821 1.00 13.42 C ATOM 298 O ALA A 20 6.976 10.499 -9.740 1.00 73.12 O ATOM 299 CB ALA A 20 8.212 7.742 -11.015 1.00 53.12 C ATOM 0 H ALA A 20 9.408 8.613 -8.983 1.00 33.42 H new ATOM 0 HA ALA A 20 9.271 9.469 -11.743 1.00 64.12 H new ATOM 0 HB1 ALA A 20 7.588 7.644 -11.903 1.00 53.12 H new ATOM 0 HB2 ALA A 20 9.082 7.093 -11.110 1.00 53.12 H new ATOM 0 HB3 ALA A 20 7.638 7.453 -10.134 1.00 53.12 H new ATOM 305 N GLU A 21 6.958 10.568 -11.996 1.00 71.11 N ATOM 306 CA GLU A 21 5.804 11.486 -12.090 1.00 51.55 C ATOM 307 C GLU A 21 4.489 10.696 -12.280 1.00 4.30 C ATOM 308 O GLU A 21 4.287 10.046 -13.312 1.00 60.14 O ATOM 309 CB GLU A 21 6.016 12.500 -13.243 1.00 51.31 C ATOM 310 CG GLU A 21 4.886 13.540 -13.391 1.00 24.32 C ATOM 311 CD GLU A 21 5.224 14.644 -14.402 1.00 22.52 C ATOM 312 OE1 GLU A 21 5.047 14.436 -15.622 1.00 42.45 O ATOM 313 OE2 GLU A 21 5.693 15.723 -13.982 1.00 73.23 O ATOM 0 H GLU A 21 7.336 10.283 -12.900 1.00 71.11 H new ATOM 0 HA GLU A 21 5.726 12.042 -11.156 1.00 51.55 H new ATOM 0 HB2 GLU A 21 6.958 13.025 -13.081 1.00 51.31 H new ATOM 0 HB3 GLU A 21 6.114 11.952 -14.180 1.00 51.31 H new ATOM 0 HG2 GLU A 21 3.972 13.035 -13.703 1.00 24.32 H new ATOM 0 HG3 GLU A 21 4.685 13.992 -12.420 1.00 24.32 H new ATOM 320 N ALA A 22 3.612 10.743 -11.270 1.00 63.31 N ATOM 321 CA ALA A 22 2.307 10.055 -11.299 1.00 3.25 C ATOM 322 C ALA A 22 1.149 10.974 -11.741 1.00 40.43 C ATOM 323 O ALA A 22 1.296 12.194 -11.854 1.00 62.25 O ATOM 324 CB ALA A 22 2.002 9.461 -9.915 1.00 34.51 C ATOM 0 H ALA A 22 3.783 11.259 -10.407 1.00 63.31 H new ATOM 0 HA ALA A 22 2.383 9.262 -12.043 1.00 3.25 H new ATOM 0 HB1 ALA A 22 1.037 8.954 -9.941 1.00 34.51 H new ATOM 0 HB2 ALA A 22 2.780 8.747 -9.646 1.00 34.51 H new ATOM 0 HB3 ALA A 22 1.972 10.260 -9.175 1.00 34.51 H new ATOM 330 N THR A 23 0.005 10.341 -12.012 1.00 63.43 N ATOM 331 CA THR A 23 -1.296 10.998 -12.184 1.00 73.12 C ATOM 332 C THR A 23 -2.279 10.313 -11.221 1.00 20.33 C ATOM 333 O THR A 23 -2.438 9.091 -11.271 1.00 23.25 O ATOM 334 CB THR A 23 -1.835 10.893 -13.655 1.00 11.35 C ATOM 335 OG1 THR A 23 -0.901 11.504 -14.559 1.00 51.12 O ATOM 336 CG2 THR A 23 -3.216 11.567 -13.817 1.00 3.41 C ATOM 0 H THR A 23 -0.045 9.328 -12.121 1.00 63.43 H new ATOM 0 HA THR A 23 -1.189 12.061 -11.970 1.00 73.12 H new ATOM 0 HB THR A 23 -1.949 9.834 -13.886 1.00 11.35 H new ATOM 0 HG1 THR A 23 -1.240 11.435 -15.476 1.00 51.12 H new ATOM 0 HG21 THR A 23 -3.549 11.470 -14.850 1.00 3.41 H new ATOM 0 HG22 THR A 23 -3.936 11.084 -13.156 1.00 3.41 H new ATOM 0 HG23 THR A 23 -3.138 12.623 -13.559 1.00 3.41 H new ATOM 344 N VAL A 24 -2.915 11.097 -10.338 1.00 23.24 N ATOM 345 CA VAL A 24 -3.834 10.565 -9.308 1.00 42.33 C ATOM 346 C VAL A 24 -5.112 9.995 -9.974 1.00 3.42 C ATOM 347 O VAL A 24 -5.911 10.739 -10.530 1.00 34.25 O ATOM 348 CB VAL A 24 -4.215 11.669 -8.252 1.00 0.22 C ATOM 349 CG1 VAL A 24 -5.109 11.091 -7.120 1.00 13.31 C ATOM 350 CG2 VAL A 24 -2.943 12.351 -7.675 1.00 24.34 C ATOM 0 H VAL A 24 -2.811 12.111 -10.313 1.00 23.24 H new ATOM 0 HA VAL A 24 -3.318 9.762 -8.781 1.00 42.33 H new ATOM 0 HB VAL A 24 -4.798 12.432 -8.768 1.00 0.22 H new ATOM 0 HG11 VAL A 24 -5.352 11.881 -6.409 1.00 13.31 H new ATOM 0 HG12 VAL A 24 -6.028 10.693 -7.550 1.00 13.31 H new ATOM 0 HG13 VAL A 24 -4.574 10.293 -6.606 1.00 13.31 H new ATOM 0 HG21 VAL A 24 -3.235 13.109 -6.948 1.00 24.34 H new ATOM 0 HG22 VAL A 24 -2.318 11.603 -7.188 1.00 24.34 H new ATOM 0 HG23 VAL A 24 -2.383 12.820 -8.484 1.00 24.34 H new ATOM 360 N THR A 25 -5.275 8.670 -9.946 1.00 33.34 N ATOM 361 CA THR A 25 -6.427 7.982 -10.577 1.00 71.34 C ATOM 362 C THR A 25 -7.561 7.713 -9.562 1.00 25.10 C ATOM 363 O THR A 25 -8.684 7.380 -9.959 1.00 4.32 O ATOM 364 CB THR A 25 -5.986 6.628 -11.222 1.00 70.32 C ATOM 365 OG1 THR A 25 -5.506 5.721 -10.214 1.00 5.54 O ATOM 366 CG2 THR A 25 -4.886 6.840 -12.274 1.00 14.13 C ATOM 0 H THR A 25 -4.619 8.036 -9.489 1.00 33.34 H new ATOM 0 HA THR A 25 -6.804 8.649 -11.352 1.00 71.34 H new ATOM 0 HB THR A 25 -6.862 6.202 -11.711 1.00 70.32 H new ATOM 0 HG1 THR A 25 -5.632 4.798 -10.518 1.00 5.54 H new ATOM 0 HG21 THR A 25 -4.602 5.879 -12.703 1.00 14.13 H new ATOM 0 HG22 THR A 25 -5.258 7.494 -13.063 1.00 14.13 H new ATOM 0 HG23 THR A 25 -4.016 7.298 -11.804 1.00 14.13 H new ATOM 374 N GLY A 26 -7.258 7.850 -8.254 1.00 42.31 N ATOM 375 CA GLY A 26 -8.250 7.658 -7.189 1.00 25.51 C ATOM 376 C GLY A 26 -7.823 8.251 -5.846 1.00 13.43 C ATOM 377 O GLY A 26 -6.624 8.385 -5.569 1.00 13.20 O ATOM 0 H GLY A 26 -6.328 8.094 -7.915 1.00 42.31 H new ATOM 0 HA2 GLY A 26 -9.193 8.112 -7.495 1.00 25.51 H new ATOM 0 HA3 GLY A 26 -8.436 6.591 -7.064 1.00 25.51 H new ATOM 381 N ALA A 27 -8.817 8.596 -5.005 1.00 24.42 N ATOM 382 CA ALA A 27 -8.599 9.193 -3.670 1.00 71.15 C ATOM 383 C ALA A 27 -9.436 8.458 -2.599 1.00 21.24 C ATOM 384 O ALA A 27 -10.669 8.541 -2.600 1.00 21.11 O ATOM 385 CB ALA A 27 -8.942 10.696 -3.704 1.00 64.00 C ATOM 0 H ALA A 27 -9.803 8.468 -5.234 1.00 24.42 H new ATOM 0 HA ALA A 27 -7.548 9.083 -3.403 1.00 71.15 H new ATOM 0 HB1 ALA A 27 -8.779 11.129 -2.717 1.00 64.00 H new ATOM 0 HB2 ALA A 27 -8.304 11.199 -4.431 1.00 64.00 H new ATOM 0 HB3 ALA A 27 -9.986 10.825 -3.988 1.00 64.00 H new ATOM 391 N TYR A 28 -8.753 7.719 -1.711 1.00 43.35 N ATOM 392 CA TYR A 28 -9.391 6.923 -0.634 1.00 72.31 C ATOM 393 C TYR A 28 -9.002 7.476 0.758 1.00 44.21 C ATOM 394 O TYR A 28 -7.822 7.572 1.081 1.00 13.24 O ATOM 395 CB TYR A 28 -8.960 5.435 -0.746 1.00 45.24 C ATOM 396 CG TYR A 28 -9.497 4.694 -1.986 1.00 73.03 C ATOM 397 CD1 TYR A 28 -9.014 4.966 -3.275 1.00 50.14 C ATOM 398 CD2 TYR A 28 -10.474 3.701 -1.863 1.00 21.50 C ATOM 399 CE1 TYR A 28 -9.491 4.279 -4.382 1.00 30.12 C ATOM 400 CE2 TYR A 28 -10.954 3.018 -2.963 1.00 74.20 C ATOM 401 CZ TYR A 28 -10.465 3.306 -4.222 1.00 13.04 C ATOM 402 OH TYR A 28 -10.945 2.612 -5.317 1.00 24.42 O ATOM 0 H TYR A 28 -7.735 7.652 -1.714 1.00 43.35 H new ATOM 0 HA TYR A 28 -10.473 6.995 -0.748 1.00 72.31 H new ATOM 0 HB2 TYR A 28 -7.871 5.387 -0.756 1.00 45.24 H new ATOM 0 HB3 TYR A 28 -9.294 4.907 0.147 1.00 45.24 H new ATOM 0 HD1 TYR A 28 -8.257 5.724 -3.408 1.00 50.14 H new ATOM 0 HD2 TYR A 28 -10.863 3.463 -0.884 1.00 21.50 H new ATOM 0 HE1 TYR A 28 -9.104 4.502 -5.366 1.00 30.12 H new ATOM 0 HE2 TYR A 28 -11.712 2.259 -2.839 1.00 74.20 H new ATOM 0 HH TYR A 28 -11.622 1.967 -5.024 1.00 24.42 H new ATOM 412 N ASP A 29 -10.000 7.841 1.577 1.00 53.13 N ATOM 413 CA ASP A 29 -9.781 8.260 2.979 1.00 71.52 C ATOM 414 C ASP A 29 -10.240 7.130 3.943 1.00 42.25 C ATOM 415 O ASP A 29 -11.393 7.063 4.384 1.00 40.25 O ATOM 416 CB ASP A 29 -10.473 9.625 3.268 1.00 12.41 C ATOM 417 CG ASP A 29 -11.986 9.627 2.994 1.00 65.35 C ATOM 418 OD1 ASP A 29 -12.377 9.578 1.811 1.00 63.21 O ATOM 419 OD2 ASP A 29 -12.790 9.649 3.953 1.00 43.41 O ATOM 0 H ASP A 29 -10.979 7.856 1.292 1.00 53.13 H new ATOM 0 HA ASP A 29 -8.716 8.420 3.149 1.00 71.52 H new ATOM 0 HB2 ASP A 29 -10.302 9.894 4.310 1.00 12.41 H new ATOM 0 HB3 ASP A 29 -10.002 10.396 2.658 1.00 12.41 H new ATOM 424 N THR A 30 -9.316 6.193 4.203 1.00 22.34 N ATOM 425 CA THR A 30 -9.571 5.005 5.058 1.00 51.10 C ATOM 426 C THR A 30 -8.409 4.778 6.055 1.00 40.52 C ATOM 427 O THR A 30 -7.381 5.465 5.994 1.00 72.24 O ATOM 428 CB THR A 30 -9.807 3.721 4.174 1.00 35.24 C ATOM 429 OG1 THR A 30 -10.056 2.564 5.000 1.00 53.13 O ATOM 430 CG2 THR A 30 -8.611 3.437 3.245 1.00 71.21 C ATOM 0 H THR A 30 -8.367 6.230 3.830 1.00 22.34 H new ATOM 0 HA THR A 30 -10.476 5.194 5.635 1.00 51.10 H new ATOM 0 HB THR A 30 -10.683 3.921 3.557 1.00 35.24 H new ATOM 0 HG1 THR A 30 -10.201 1.780 4.430 1.00 53.13 H new ATOM 0 HG21 THR A 30 -8.814 2.544 2.653 1.00 71.21 H new ATOM 0 HG22 THR A 30 -8.458 4.286 2.579 1.00 71.21 H new ATOM 0 HG23 THR A 30 -7.714 3.279 3.844 1.00 71.21 H new ATOM 438 N THR A 31 -8.583 3.820 6.984 1.00 31.01 N ATOM 439 CA THR A 31 -7.536 3.455 7.960 1.00 62.02 C ATOM 440 C THR A 31 -6.483 2.549 7.280 1.00 52.32 C ATOM 441 O THR A 31 -6.819 1.488 6.735 1.00 32.42 O ATOM 442 CB THR A 31 -8.123 2.723 9.222 1.00 63.15 C ATOM 443 OG1 THR A 31 -9.297 3.407 9.690 1.00 41.40 O ATOM 444 CG2 THR A 31 -7.098 2.666 10.376 1.00 3.22 C ATOM 0 H THR A 31 -9.444 3.281 7.080 1.00 31.01 H new ATOM 0 HA THR A 31 -7.074 4.381 8.303 1.00 62.02 H new ATOM 0 HB THR A 31 -8.370 1.706 8.918 1.00 63.15 H new ATOM 0 HG1 THR A 31 -9.655 2.942 10.475 1.00 41.40 H new ATOM 0 HG21 THR A 31 -7.540 2.153 11.230 1.00 3.22 H new ATOM 0 HG22 THR A 31 -6.210 2.125 10.048 1.00 3.22 H new ATOM 0 HG23 THR A 31 -6.819 3.679 10.666 1.00 3.22 H new ATOM 452 N ALA A 32 -5.215 2.975 7.331 1.00 52.14 N ATOM 453 CA ALA A 32 -4.083 2.263 6.712 1.00 52.50 C ATOM 454 C ALA A 32 -3.249 1.555 7.804 1.00 54.13 C ATOM 455 O ALA A 32 -3.090 2.072 8.915 1.00 12.35 O ATOM 456 CB ALA A 32 -3.225 3.243 5.905 1.00 50.24 C ATOM 0 H ALA A 32 -4.940 3.834 7.808 1.00 52.14 H new ATOM 0 HA ALA A 32 -4.461 1.504 6.027 1.00 52.50 H new ATOM 0 HB1 ALA A 32 -2.391 2.708 5.451 1.00 50.24 H new ATOM 0 HB2 ALA A 32 -3.832 3.699 5.123 1.00 50.24 H new ATOM 0 HB3 ALA A 32 -2.841 4.020 6.566 1.00 50.24 H new ATOM 462 N TYR A 33 -2.706 0.377 7.479 1.00 63.13 N ATOM 463 CA TYR A 33 -2.048 -0.514 8.463 1.00 20.32 C ATOM 464 C TYR A 33 -0.645 -0.946 7.998 1.00 55.22 C ATOM 465 O TYR A 33 -0.359 -1.060 6.796 1.00 74.23 O ATOM 466 CB TYR A 33 -2.920 -1.777 8.729 1.00 24.00 C ATOM 467 CG TYR A 33 -4.311 -1.468 9.291 1.00 22.13 C ATOM 468 CD1 TYR A 33 -4.479 -1.131 10.632 1.00 63.14 C ATOM 469 CD2 TYR A 33 -5.453 -1.512 8.486 1.00 53.11 C ATOM 470 CE1 TYR A 33 -5.725 -0.852 11.149 1.00 31.43 C ATOM 471 CE2 TYR A 33 -6.702 -1.232 9.000 1.00 10.31 C ATOM 472 CZ TYR A 33 -6.835 -0.904 10.331 1.00 3.30 C ATOM 473 OH TYR A 33 -8.086 -0.636 10.855 1.00 31.41 O ATOM 0 H TYR A 33 -2.706 0.007 6.528 1.00 63.13 H new ATOM 0 HA TYR A 33 -1.940 0.055 9.386 1.00 20.32 H new ATOM 0 HB2 TYR A 33 -3.031 -2.332 7.797 1.00 24.00 H new ATOM 0 HB3 TYR A 33 -2.394 -2.428 9.427 1.00 24.00 H new ATOM 0 HD1 TYR A 33 -3.615 -1.088 11.279 1.00 63.14 H new ATOM 0 HD2 TYR A 33 -5.356 -1.770 7.442 1.00 53.11 H new ATOM 0 HE1 TYR A 33 -5.833 -0.593 12.192 1.00 31.43 H new ATOM 0 HE2 TYR A 33 -7.572 -1.270 8.361 1.00 10.31 H new ATOM 0 HH TYR A 33 -8.760 -0.714 10.148 1.00 31.41 H new ATOM 483 N VAL A 34 0.214 -1.169 8.992 1.00 62.22 N ATOM 484 CA VAL A 34 1.553 -1.736 8.834 1.00 61.53 C ATOM 485 C VAL A 34 1.519 -3.192 9.342 1.00 42.12 C ATOM 486 O VAL A 34 1.068 -3.427 10.463 1.00 2.12 O ATOM 487 CB VAL A 34 2.600 -0.904 9.663 1.00 55.23 C ATOM 488 CG1 VAL A 34 4.027 -1.442 9.456 1.00 74.51 C ATOM 489 CG2 VAL A 34 2.512 0.604 9.319 1.00 71.24 C ATOM 0 H VAL A 34 -0.011 -0.952 9.963 1.00 62.22 H new ATOM 0 HA VAL A 34 1.849 -1.706 7.785 1.00 61.53 H new ATOM 0 HB VAL A 34 2.355 -1.018 10.719 1.00 55.23 H new ATOM 0 HG11 VAL A 34 4.728 -0.847 10.041 1.00 74.51 H new ATOM 0 HG12 VAL A 34 4.074 -2.482 9.780 1.00 74.51 H new ATOM 0 HG13 VAL A 34 4.290 -1.379 8.400 1.00 74.51 H new ATOM 0 HG21 VAL A 34 3.247 1.155 9.906 1.00 71.24 H new ATOM 0 HG22 VAL A 34 2.715 0.748 8.258 1.00 71.24 H new ATOM 0 HG23 VAL A 34 1.513 0.972 9.550 1.00 71.24 H new ATOM 499 N VAL A 35 1.970 -4.165 8.528 1.00 24.04 N ATOM 500 CA VAL A 35 1.911 -5.610 8.894 1.00 15.40 C ATOM 501 C VAL A 35 3.272 -6.318 8.750 1.00 10.13 C ATOM 502 O VAL A 35 4.173 -5.838 8.071 1.00 11.55 O ATOM 503 CB VAL A 35 0.833 -6.393 8.047 1.00 13.32 C ATOM 504 CG1 VAL A 35 -0.602 -5.979 8.444 1.00 31.14 C ATOM 505 CG2 VAL A 35 1.069 -6.213 6.522 1.00 45.54 C ATOM 0 H VAL A 35 2.380 -3.986 7.612 1.00 24.04 H new ATOM 0 HA VAL A 35 1.623 -5.626 9.945 1.00 15.40 H new ATOM 0 HB VAL A 35 0.946 -7.453 8.274 1.00 13.32 H new ATOM 0 HG11 VAL A 35 -1.321 -6.536 7.843 1.00 31.14 H new ATOM 0 HG12 VAL A 35 -0.765 -6.198 9.499 1.00 31.14 H new ATOM 0 HG13 VAL A 35 -0.734 -4.911 8.270 1.00 31.14 H new ATOM 0 HG21 VAL A 35 0.309 -6.765 5.969 1.00 45.54 H new ATOM 0 HG22 VAL A 35 1.007 -5.155 6.267 1.00 45.54 H new ATOM 0 HG23 VAL A 35 2.057 -6.592 6.259 1.00 45.54 H new ATOM 515 N SER A 36 3.393 -7.481 9.414 1.00 70.14 N ATOM 516 CA SER A 36 4.548 -8.399 9.279 1.00 71.35 C ATOM 517 C SER A 36 4.038 -9.825 8.990 1.00 13.01 C ATOM 518 O SER A 36 3.247 -10.364 9.764 1.00 64.23 O ATOM 519 CB SER A 36 5.408 -8.389 10.566 1.00 10.22 C ATOM 520 OG SER A 36 6.482 -9.324 10.489 1.00 74.24 O ATOM 0 H SER A 36 2.686 -7.818 10.068 1.00 70.14 H new ATOM 0 HA SER A 36 5.173 -8.063 8.451 1.00 71.35 H new ATOM 0 HB2 SER A 36 5.808 -7.388 10.729 1.00 10.22 H new ATOM 0 HB3 SER A 36 4.780 -8.625 11.425 1.00 10.22 H new ATOM 0 HG SER A 36 7.331 -8.841 10.413 1.00 74.24 H new ATOM 526 N TYR A 37 4.519 -10.434 7.898 1.00 45.51 N ATOM 527 CA TYR A 37 4.010 -11.733 7.395 1.00 74.12 C ATOM 528 C TYR A 37 5.093 -12.473 6.598 1.00 50.02 C ATOM 529 O TYR A 37 6.020 -11.853 6.067 1.00 11.03 O ATOM 530 CB TYR A 37 2.747 -11.537 6.500 1.00 53.33 C ATOM 531 CG TYR A 37 2.964 -10.691 5.227 1.00 42.31 C ATOM 532 CD1 TYR A 37 2.881 -9.297 5.265 1.00 31.34 C ATOM 533 CD2 TYR A 37 3.254 -11.286 3.989 1.00 31.50 C ATOM 534 CE1 TYR A 37 3.075 -8.534 4.130 1.00 43.21 C ATOM 535 CE2 TYR A 37 3.451 -10.523 2.853 1.00 61.00 C ATOM 536 CZ TYR A 37 3.361 -9.145 2.929 1.00 74.02 C ATOM 537 OH TYR A 37 3.559 -8.376 1.801 1.00 44.51 O ATOM 0 H TYR A 37 5.273 -10.045 7.332 1.00 45.51 H new ATOM 0 HA TYR A 37 3.734 -12.331 8.263 1.00 74.12 H new ATOM 0 HB2 TYR A 37 2.375 -12.518 6.205 1.00 53.33 H new ATOM 0 HB3 TYR A 37 1.967 -11.068 7.099 1.00 53.33 H new ATOM 0 HD1 TYR A 37 2.661 -8.806 6.201 1.00 31.34 H new ATOM 0 HD2 TYR A 37 3.325 -12.362 3.923 1.00 31.50 H new ATOM 0 HE1 TYR A 37 3.002 -7.458 4.184 1.00 43.21 H new ATOM 0 HE2 TYR A 37 3.674 -11.001 1.911 1.00 61.00 H new ATOM 0 HH TYR A 37 3.946 -7.513 2.057 1.00 44.51 H new ATOM 547 N THR A 38 4.940 -13.793 6.476 1.00 54.24 N ATOM 548 CA THR A 38 5.843 -14.631 5.671 1.00 74.24 C ATOM 549 C THR A 38 5.077 -15.116 4.415 1.00 23.22 C ATOM 550 O THR A 38 4.113 -15.873 4.559 1.00 44.32 O ATOM 551 CB THR A 38 6.382 -15.855 6.481 1.00 33.14 C ATOM 552 OG1 THR A 38 6.909 -15.411 7.743 1.00 60.23 O ATOM 553 CG2 THR A 38 7.490 -16.602 5.714 1.00 40.54 C ATOM 0 H THR A 38 4.190 -14.314 6.930 1.00 54.24 H new ATOM 0 HA THR A 38 6.708 -14.034 5.383 1.00 74.24 H new ATOM 0 HB THR A 38 5.547 -16.539 6.637 1.00 33.14 H new ATOM 0 HG1 THR A 38 7.244 -16.182 8.247 1.00 60.23 H new ATOM 0 HG21 THR A 38 7.839 -17.446 6.309 1.00 40.54 H new ATOM 0 HG22 THR A 38 7.094 -16.966 4.766 1.00 40.54 H new ATOM 0 HG23 THR A 38 8.322 -15.924 5.524 1.00 40.54 H new ATOM 561 N PRO A 39 5.460 -14.649 3.178 1.00 71.15 N ATOM 562 CA PRO A 39 4.769 -15.032 1.909 1.00 24.04 C ATOM 563 C PRO A 39 4.626 -16.577 1.716 1.00 3.23 C ATOM 564 O PRO A 39 5.606 -17.327 1.818 1.00 63.30 O ATOM 565 CB PRO A 39 5.652 -14.383 0.796 1.00 70.34 C ATOM 566 CG PRO A 39 6.934 -13.995 1.479 1.00 25.42 C ATOM 567 CD PRO A 39 6.571 -13.697 2.914 1.00 12.12 C ATOM 0 HA PRO A 39 3.736 -14.683 1.895 1.00 24.04 H new ATOM 0 HB2 PRO A 39 5.837 -15.084 -0.018 1.00 70.34 H new ATOM 0 HB3 PRO A 39 5.160 -13.513 0.361 1.00 70.34 H new ATOM 0 HG2 PRO A 39 7.666 -14.801 1.421 1.00 25.42 H new ATOM 0 HG3 PRO A 39 7.382 -13.124 1.001 1.00 25.42 H new ATOM 0 HD2 PRO A 39 7.413 -13.862 3.587 1.00 12.12 H new ATOM 0 HD3 PRO A 39 6.256 -12.662 3.045 1.00 12.12 H new ATOM 575 N THR A 40 3.378 -17.013 1.429 1.00 70.42 N ATOM 576 CA THR A 40 2.983 -18.448 1.288 1.00 21.13 C ATOM 577 C THR A 40 3.702 -19.172 0.125 1.00 54.12 C ATOM 578 O THR A 40 3.728 -20.406 0.078 1.00 62.30 O ATOM 579 CB THR A 40 1.440 -18.579 1.073 1.00 41.20 C ATOM 580 OG1 THR A 40 1.042 -17.874 -0.124 1.00 0.40 O ATOM 581 CG2 THR A 40 0.655 -18.030 2.271 1.00 44.54 C ATOM 0 H THR A 40 2.598 -16.372 1.285 1.00 70.42 H new ATOM 0 HA THR A 40 3.285 -18.926 2.220 1.00 21.13 H new ATOM 0 HB THR A 40 1.212 -19.640 0.970 1.00 41.20 H new ATOM 0 HG1 THR A 40 1.317 -16.936 -0.058 1.00 0.40 H new ATOM 0 HG21 THR A 40 -0.414 -18.138 2.086 1.00 44.54 H new ATOM 0 HG22 THR A 40 0.926 -18.586 3.169 1.00 44.54 H new ATOM 0 HG23 THR A 40 0.895 -16.976 2.411 1.00 44.54 H new ATOM 589 N ASN A 41 4.261 -18.395 -0.819 1.00 1.23 N ATOM 590 CA ASN A 41 5.100 -18.913 -1.929 1.00 33.54 C ATOM 591 C ASN A 41 6.433 -19.560 -1.422 1.00 40.43 C ATOM 592 O ASN A 41 7.141 -20.228 -2.191 1.00 65.03 O ATOM 593 CB ASN A 41 5.389 -17.735 -2.904 1.00 34.54 C ATOM 594 CG ASN A 41 6.035 -18.140 -4.230 1.00 64.54 C ATOM 595 OD1 ASN A 41 5.770 -19.209 -4.769 1.00 53.44 O ATOM 596 ND2 ASN A 41 6.891 -17.293 -4.764 1.00 21.21 N ATOM 0 H ASN A 41 4.146 -17.382 -0.839 1.00 1.23 H new ATOM 0 HA ASN A 41 4.558 -19.709 -2.440 1.00 33.54 H new ATOM 0 HB2 ASN A 41 4.452 -17.219 -3.116 1.00 34.54 H new ATOM 0 HB3 ASN A 41 6.041 -17.019 -2.403 1.00 34.54 H new ATOM 0 HD21 ASN A 41 7.350 -17.520 -5.646 1.00 21.21 H new ATOM 0 HD22 ASN A 41 7.094 -16.410 -4.296 1.00 21.21 H new ATOM 603 N GLY A 42 6.748 -19.385 -0.121 1.00 45.11 N ATOM 604 CA GLY A 42 8.008 -19.861 0.464 1.00 22.01 C ATOM 605 C GLY A 42 9.133 -18.841 0.333 1.00 33.32 C ATOM 606 O GLY A 42 10.228 -19.153 -0.165 1.00 23.41 O ATOM 0 H GLY A 42 6.137 -18.912 0.545 1.00 45.11 H new ATOM 0 HA2 GLY A 42 7.852 -20.092 1.518 1.00 22.01 H new ATOM 0 HA3 GLY A 42 8.304 -20.789 -0.025 1.00 22.01 H new ATOM 610 N GLY A 43 8.856 -17.617 0.805 1.00 60.03 N ATOM 611 CA GLY A 43 9.783 -16.483 0.668 1.00 65.14 C ATOM 612 C GLY A 43 10.229 -15.900 2.005 1.00 74.21 C ATOM 613 O GLY A 43 9.710 -16.276 3.065 1.00 70.24 O ATOM 0 H GLY A 43 7.989 -17.385 1.290 1.00 60.03 H new ATOM 0 HA2 GLY A 43 10.662 -16.807 0.110 1.00 65.14 H new ATOM 0 HA3 GLY A 43 9.303 -15.700 0.081 1.00 65.14 H new ATOM 617 N GLN A 44 11.214 -14.987 1.947 1.00 25.34 N ATOM 618 CA GLN A 44 11.706 -14.241 3.123 1.00 22.54 C ATOM 619 C GLN A 44 10.596 -13.348 3.735 1.00 74.22 C ATOM 620 O GLN A 44 9.861 -12.672 3.001 1.00 44.00 O ATOM 621 CB GLN A 44 12.956 -13.398 2.733 1.00 53.11 C ATOM 622 CG GLN A 44 12.757 -12.451 1.520 1.00 24.12 C ATOM 623 CD GLN A 44 14.036 -11.738 1.068 1.00 32.42 C ATOM 624 OE1 GLN A 44 15.144 -12.246 1.235 1.00 72.34 O ATOM 625 NE2 GLN A 44 13.896 -10.574 0.463 1.00 72.00 N ATOM 0 H GLN A 44 11.694 -14.743 1.081 1.00 25.34 H new ATOM 0 HA GLN A 44 11.995 -14.960 3.889 1.00 22.54 H new ATOM 0 HB2 GLN A 44 13.256 -12.802 3.595 1.00 53.11 H new ATOM 0 HB3 GLN A 44 13.779 -14.078 2.513 1.00 53.11 H new ATOM 0 HG2 GLN A 44 12.360 -13.027 0.684 1.00 24.12 H new ATOM 0 HG3 GLN A 44 12.007 -11.702 1.776 1.00 24.12 H new ATOM 0 HE21 GLN A 44 12.966 -10.174 0.337 1.00 72.00 H new ATOM 0 HE22 GLN A 44 14.717 -10.075 0.122 1.00 72.00 H new ATOM 634 N ARG A 45 10.476 -13.379 5.078 1.00 63.34 N ATOM 635 CA ARG A 45 9.421 -12.652 5.818 1.00 24.30 C ATOM 636 C ARG A 45 9.472 -11.125 5.562 1.00 72.41 C ATOM 637 O ARG A 45 10.505 -10.475 5.763 1.00 34.13 O ATOM 638 CB ARG A 45 9.533 -12.944 7.338 1.00 3.04 C ATOM 639 CG ARG A 45 8.495 -12.203 8.222 1.00 20.43 C ATOM 640 CD ARG A 45 8.631 -12.522 9.720 1.00 4.42 C ATOM 641 NE ARG A 45 8.380 -13.946 10.022 1.00 51.32 N ATOM 642 CZ ARG A 45 8.284 -14.462 11.229 1.00 14.24 C ATOM 643 NH1 ARG A 45 8.396 -13.723 12.290 1.00 23.14 N ATOM 644 NH2 ARG A 45 8.071 -15.729 11.361 1.00 72.33 N ATOM 0 H ARG A 45 11.106 -13.908 5.681 1.00 63.34 H new ATOM 0 HA ARG A 45 8.460 -13.012 5.449 1.00 24.30 H new ATOM 0 HB2 ARG A 45 9.424 -14.017 7.496 1.00 3.04 H new ATOM 0 HB3 ARG A 45 10.534 -12.672 7.673 1.00 3.04 H new ATOM 0 HG2 ARG A 45 8.605 -11.129 8.075 1.00 20.43 H new ATOM 0 HG3 ARG A 45 7.491 -12.469 7.891 1.00 20.43 H new ATOM 0 HD2 ARG A 45 9.633 -12.254 10.055 1.00 4.42 H new ATOM 0 HD3 ARG A 45 7.931 -11.906 10.284 1.00 4.42 H new ATOM 0 HE ARG A 45 8.272 -14.581 9.231 1.00 51.32 H new ATOM 0 HH11 ARG A 45 8.562 -12.721 12.198 1.00 23.14 H new ATOM 0 HH12 ARG A 45 8.318 -14.144 13.216 1.00 23.14 H new ATOM 0 HH21 ARG A 45 7.979 -16.319 10.534 1.00 72.33 H new ATOM 0 HH22 ARG A 45 7.995 -16.139 12.292 1.00 72.33 H new ATOM 658 N VAL A 46 8.345 -10.579 5.099 1.00 63.23 N ATOM 659 CA VAL A 46 8.188 -9.143 4.837 1.00 22.32 C ATOM 660 C VAL A 46 7.734 -8.422 6.131 1.00 14.33 C ATOM 661 O VAL A 46 6.595 -8.582 6.582 1.00 63.43 O ATOM 662 CB VAL A 46 7.158 -8.898 3.677 1.00 42.33 C ATOM 663 CG1 VAL A 46 7.056 -7.391 3.311 1.00 51.13 C ATOM 664 CG2 VAL A 46 7.521 -9.754 2.437 1.00 63.35 C ATOM 0 H VAL A 46 7.508 -11.124 4.893 1.00 63.23 H new ATOM 0 HA VAL A 46 9.149 -8.736 4.523 1.00 22.32 H new ATOM 0 HB VAL A 46 6.175 -9.210 4.031 1.00 42.33 H new ATOM 0 HG11 VAL A 46 6.334 -7.260 2.505 1.00 51.13 H new ATOM 0 HG12 VAL A 46 6.731 -6.826 4.184 1.00 51.13 H new ATOM 0 HG13 VAL A 46 8.031 -7.029 2.987 1.00 51.13 H new ATOM 0 HG21 VAL A 46 6.796 -9.571 1.644 1.00 63.35 H new ATOM 0 HG22 VAL A 46 8.518 -9.484 2.088 1.00 63.35 H new ATOM 0 HG23 VAL A 46 7.505 -10.810 2.707 1.00 63.35 H new ATOM 674 N ASP A 47 8.646 -7.639 6.721 1.00 32.51 N ATOM 675 CA ASP A 47 8.420 -6.941 8.002 1.00 14.23 C ATOM 676 C ASP A 47 8.101 -5.455 7.758 1.00 60.41 C ATOM 677 O ASP A 47 8.730 -4.813 6.907 1.00 5.14 O ATOM 678 CB ASP A 47 9.663 -7.070 8.906 1.00 61.24 C ATOM 679 CG ASP A 47 9.961 -8.525 9.282 1.00 41.13 C ATOM 680 OD1 ASP A 47 9.360 -9.031 10.251 1.00 62.41 O ATOM 681 OD2 ASP A 47 10.792 -9.167 8.609 1.00 12.24 O ATOM 0 H ASP A 47 9.570 -7.468 6.323 1.00 32.51 H new ATOM 0 HA ASP A 47 7.569 -7.404 8.501 1.00 14.23 H new ATOM 0 HB2 ASP A 47 10.527 -6.645 8.395 1.00 61.24 H new ATOM 0 HB3 ASP A 47 9.511 -6.486 9.814 1.00 61.24 H new ATOM 686 N HIS A 48 7.129 -4.931 8.528 1.00 64.42 N ATOM 687 CA HIS A 48 6.698 -3.514 8.472 1.00 3.34 C ATOM 688 C HIS A 48 6.215 -3.087 7.054 1.00 63.14 C ATOM 689 O HIS A 48 6.420 -1.940 6.634 1.00 51.54 O ATOM 690 CB HIS A 48 7.817 -2.571 9.020 1.00 54.31 C ATOM 691 CG HIS A 48 8.133 -2.756 10.488 1.00 3.12 C ATOM 692 ND1 HIS A 48 8.664 -1.753 11.270 1.00 44.15 N ATOM 693 CD2 HIS A 48 8.006 -3.825 11.312 1.00 55.23 C ATOM 694 CE1 HIS A 48 8.843 -2.191 12.495 1.00 14.33 C ATOM 695 NE2 HIS A 48 8.452 -3.444 12.551 1.00 31.44 N ATOM 0 H HIS A 48 6.613 -5.482 9.215 1.00 64.42 H new ATOM 0 HA HIS A 48 5.829 -3.416 9.123 1.00 3.34 H new ATOM 0 HB2 HIS A 48 8.727 -2.735 8.442 1.00 54.31 H new ATOM 0 HB3 HIS A 48 7.516 -1.537 8.854 1.00 54.31 H new ATOM 0 HD2 HIS A 48 7.624 -4.798 11.042 1.00 55.23 H new ATOM 0 HE1 HIS A 48 9.244 -1.618 13.318 1.00 14.33 H new ATOM 0 HE2 HIS A 48 8.476 -4.037 13.381 1.00 31.44 H new ATOM 704 N HIS A 49 5.523 -4.025 6.369 1.00 60.15 N ATOM 705 CA HIS A 49 4.951 -3.816 5.020 1.00 75.35 C ATOM 706 C HIS A 49 3.916 -2.670 5.018 1.00 64.42 C ATOM 707 O HIS A 49 3.000 -2.641 5.855 1.00 30.44 O ATOM 708 CB HIS A 49 4.294 -5.123 4.503 1.00 23.42 C ATOM 709 CG HIS A 49 3.731 -5.039 3.092 1.00 3.55 C ATOM 710 ND1 HIS A 49 4.501 -5.353 1.997 1.00 11.25 N ATOM 711 CD2 HIS A 49 2.493 -4.666 2.660 1.00 65.24 C ATOM 712 CE1 HIS A 49 3.732 -5.163 0.939 1.00 74.15 C ATOM 713 NE2 HIS A 49 2.509 -4.746 1.291 1.00 71.03 N ATOM 0 H HIS A 49 5.344 -4.958 6.741 1.00 60.15 H new ATOM 0 HA HIS A 49 5.768 -3.537 4.354 1.00 75.35 H new ATOM 0 HB2 HIS A 49 5.034 -5.923 4.537 1.00 23.42 H new ATOM 0 HB3 HIS A 49 3.490 -5.403 5.184 1.00 23.42 H new ATOM 0 HD2 HIS A 49 1.659 -4.365 3.277 1.00 65.24 H new ATOM 0 HE1 HIS A 49 4.050 -5.324 -0.081 1.00 74.15 H new ATOM 0 HE2 HIS A 49 1.737 -4.529 0.661 1.00 71.03 H new ATOM 721 N LYS A 50 4.082 -1.735 4.071 1.00 1.25 N ATOM 722 CA LYS A 50 3.208 -0.556 3.915 1.00 12.30 C ATOM 723 C LYS A 50 2.736 -0.406 2.435 1.00 33.25 C ATOM 724 O LYS A 50 3.533 -0.607 1.525 1.00 63.13 O ATOM 725 CB LYS A 50 3.975 0.724 4.355 1.00 23.12 C ATOM 726 CG LYS A 50 4.412 0.738 5.840 1.00 63.14 C ATOM 727 CD LYS A 50 5.218 2.001 6.221 1.00 61.53 C ATOM 728 CE LYS A 50 5.683 1.978 7.690 1.00 62.30 C ATOM 729 NZ LYS A 50 6.567 0.817 7.976 1.00 45.23 N ATOM 0 H LYS A 50 4.834 -1.774 3.383 1.00 1.25 H new ATOM 0 HA LYS A 50 2.328 -0.691 4.544 1.00 12.30 H new ATOM 0 HB2 LYS A 50 4.860 0.834 3.729 1.00 23.12 H new ATOM 0 HB3 LYS A 50 3.343 1.592 4.168 1.00 23.12 H new ATOM 0 HG2 LYS A 50 3.528 0.673 6.474 1.00 63.14 H new ATOM 0 HG3 LYS A 50 5.016 -0.147 6.044 1.00 63.14 H new ATOM 0 HD2 LYS A 50 6.087 2.085 5.569 1.00 61.53 H new ATOM 0 HD3 LYS A 50 4.605 2.886 6.050 1.00 61.53 H new ATOM 0 HE2 LYS A 50 6.214 2.903 7.917 1.00 62.30 H new ATOM 0 HE3 LYS A 50 4.813 1.941 8.345 1.00 62.30 H new ATOM 0 HZ1 LYS A 50 7.005 0.936 8.912 1.00 45.23 H new ATOM 0 HZ2 LYS A 50 6.005 -0.058 7.966 1.00 45.23 H new ATOM 0 HZ3 LYS A 50 7.310 0.759 7.251 1.00 45.23 H new ATOM 743 N TRP A 51 1.445 -0.087 2.166 1.00 34.11 N ATOM 744 CA TRP A 51 0.331 -0.090 3.153 1.00 13.13 C ATOM 745 C TRP A 51 -0.758 -1.109 2.763 1.00 50.10 C ATOM 746 O TRP A 51 -1.050 -1.314 1.581 1.00 61.11 O ATOM 747 CB TRP A 51 -0.324 1.317 3.274 1.00 2.21 C ATOM 748 CG TRP A 51 0.617 2.399 3.733 1.00 74.23 C ATOM 749 CD1 TRP A 51 1.459 3.134 2.954 1.00 22.11 C ATOM 750 CD2 TRP A 51 0.811 2.864 5.082 1.00 11.11 C ATOM 751 NE1 TRP A 51 2.161 4.010 3.728 1.00 63.34 N ATOM 752 CE2 TRP A 51 1.781 3.877 5.029 1.00 22.12 C ATOM 753 CE3 TRP A 51 0.256 2.526 6.323 1.00 33.32 C ATOM 754 CZ2 TRP A 51 2.215 4.558 6.162 1.00 1.14 C ATOM 755 CZ3 TRP A 51 0.683 3.202 7.450 1.00 30.44 C ATOM 756 CH2 TRP A 51 1.655 4.212 7.364 1.00 74.03 C ATOM 0 H TRP A 51 1.140 0.187 1.232 1.00 34.11 H new ATOM 0 HA TRP A 51 0.765 -0.370 4.113 1.00 13.13 H new ATOM 0 HB2 TRP A 51 -0.737 1.597 2.305 1.00 2.21 H new ATOM 0 HB3 TRP A 51 -1.159 1.258 3.972 1.00 2.21 H new ATOM 0 HD1 TRP A 51 1.556 3.037 1.883 1.00 22.11 H new ATOM 0 HE1 TRP A 51 2.864 4.665 3.385 1.00 63.34 H new ATOM 0 HE3 TRP A 51 -0.492 1.751 6.398 1.00 33.32 H new ATOM 0 HZ2 TRP A 51 2.966 5.331 6.097 1.00 1.14 H new ATOM 0 HZ3 TRP A 51 0.263 2.950 8.412 1.00 30.44 H new ATOM 0 HH2 TRP A 51 1.967 4.725 8.262 1.00 74.03 H new ATOM 767 N VAL A 52 -1.369 -1.711 3.787 1.00 1.44 N ATOM 768 CA VAL A 52 -2.585 -2.534 3.645 1.00 24.32 C ATOM 769 C VAL A 52 -3.732 -1.816 4.374 1.00 3.40 C ATOM 770 O VAL A 52 -3.559 -1.360 5.501 1.00 11.35 O ATOM 771 CB VAL A 52 -2.404 -4.003 4.200 1.00 70.31 C ATOM 772 CG1 VAL A 52 -1.365 -4.794 3.367 1.00 35.45 C ATOM 773 CG2 VAL A 52 -2.028 -4.020 5.706 1.00 53.11 C ATOM 0 H VAL A 52 -1.035 -1.644 4.748 1.00 1.44 H new ATOM 0 HA VAL A 52 -2.807 -2.644 2.584 1.00 24.32 H new ATOM 0 HB VAL A 52 -3.371 -4.497 4.102 1.00 70.31 H new ATOM 0 HG11 VAL A 52 -1.263 -5.800 3.773 1.00 35.45 H new ATOM 0 HG12 VAL A 52 -1.698 -4.853 2.331 1.00 35.45 H new ATOM 0 HG13 VAL A 52 -0.402 -4.286 3.410 1.00 35.45 H new ATOM 0 HG21 VAL A 52 -1.915 -5.051 6.041 1.00 53.11 H new ATOM 0 HG22 VAL A 52 -1.090 -3.485 5.853 1.00 53.11 H new ATOM 0 HG23 VAL A 52 -2.816 -3.536 6.283 1.00 53.11 H new ATOM 783 N ILE A 53 -4.896 -1.685 3.739 1.00 62.52 N ATOM 784 CA ILE A 53 -6.036 -0.967 4.359 1.00 74.12 C ATOM 785 C ILE A 53 -7.055 -1.978 4.908 1.00 74.13 C ATOM 786 O ILE A 53 -6.991 -3.160 4.581 1.00 42.24 O ATOM 787 CB ILE A 53 -6.738 0.012 3.356 1.00 62.31 C ATOM 788 CG1 ILE A 53 -7.422 -0.784 2.207 1.00 74.44 C ATOM 789 CG2 ILE A 53 -5.726 1.058 2.818 1.00 13.30 C ATOM 790 CD1 ILE A 53 -8.182 0.054 1.190 1.00 73.44 C ATOM 0 H ILE A 53 -5.085 -2.057 2.808 1.00 62.52 H new ATOM 0 HA ILE A 53 -5.637 -0.364 5.175 1.00 74.12 H new ATOM 0 HB ILE A 53 -7.520 0.559 3.883 1.00 62.31 H new ATOM 0 HG12 ILE A 53 -6.658 -1.357 1.681 1.00 74.44 H new ATOM 0 HG13 ILE A 53 -8.113 -1.503 2.648 1.00 74.44 H new ATOM 0 HG21 ILE A 53 -6.231 1.729 2.123 1.00 13.30 H new ATOM 0 HG22 ILE A 53 -5.322 1.634 3.650 1.00 13.30 H new ATOM 0 HG23 ILE A 53 -4.913 0.546 2.302 1.00 13.30 H new ATOM 0 HD11 ILE A 53 -8.619 -0.599 0.434 1.00 73.44 H new ATOM 0 HD12 ILE A 53 -8.975 0.607 1.694 1.00 73.44 H new ATOM 0 HD13 ILE A 53 -7.498 0.755 0.712 1.00 73.44 H new ATOM 802 N GLN A 54 -7.997 -1.485 5.721 1.00 43.32 N ATOM 803 CA GLN A 54 -9.083 -2.289 6.344 1.00 70.31 C ATOM 804 C GLN A 54 -9.819 -3.229 5.332 1.00 70.21 C ATOM 805 O GLN A 54 -10.211 -4.346 5.680 1.00 55.13 O ATOM 806 CB GLN A 54 -10.071 -1.298 7.015 1.00 72.01 C ATOM 807 CG GLN A 54 -11.092 -1.925 7.988 1.00 64.22 C ATOM 808 CD GLN A 54 -12.029 -0.888 8.616 1.00 71.23 C ATOM 809 OE1 GLN A 54 -12.351 0.126 8.008 1.00 5.21 O ATOM 810 NE2 GLN A 54 -12.476 -1.132 9.826 1.00 4.32 N ATOM 0 H GLN A 54 -8.036 -0.498 5.976 1.00 43.32 H new ATOM 0 HA GLN A 54 -8.644 -2.962 7.081 1.00 70.31 H new ATOM 0 HB2 GLN A 54 -9.493 -0.549 7.557 1.00 72.01 H new ATOM 0 HB3 GLN A 54 -10.618 -0.773 6.232 1.00 72.01 H new ATOM 0 HG2 GLN A 54 -11.685 -2.668 7.455 1.00 64.22 H new ATOM 0 HG3 GLN A 54 -10.557 -2.451 8.779 1.00 64.22 H new ATOM 0 HE21 GLN A 54 -12.194 -1.983 10.312 1.00 4.32 H new ATOM 0 HE22 GLN A 54 -13.106 -0.470 10.280 1.00 4.32 H new ATOM 819 N GLU A 55 -9.947 -2.778 4.069 1.00 22.22 N ATOM 820 CA GLU A 55 -10.694 -3.499 3.000 1.00 44.42 C ATOM 821 C GLU A 55 -9.942 -4.748 2.442 1.00 5.23 C ATOM 822 O GLU A 55 -10.536 -5.552 1.720 1.00 64.02 O ATOM 823 CB GLU A 55 -10.986 -2.510 1.837 1.00 41.21 C ATOM 824 CG GLU A 55 -11.558 -1.137 2.269 1.00 34.15 C ATOM 825 CD GLU A 55 -12.909 -1.211 3.000 1.00 3.30 C ATOM 826 OE1 GLU A 55 -13.961 -1.257 2.321 1.00 31.44 O ATOM 827 OE2 GLU A 55 -12.931 -1.223 4.253 1.00 43.14 O ATOM 0 H GLU A 55 -9.536 -1.900 3.752 1.00 22.22 H new ATOM 0 HA GLU A 55 -11.615 -3.870 3.450 1.00 44.42 H new ATOM 0 HB2 GLU A 55 -10.063 -2.343 1.282 1.00 41.21 H new ATOM 0 HB3 GLU A 55 -11.690 -2.979 1.150 1.00 41.21 H new ATOM 0 HG2 GLU A 55 -10.834 -0.644 2.918 1.00 34.15 H new ATOM 0 HG3 GLU A 55 -11.672 -0.510 1.384 1.00 34.15 H new ATOM 834 N GLU A 56 -8.643 -4.895 2.754 1.00 12.55 N ATOM 835 CA GLU A 56 -7.811 -6.035 2.271 1.00 42.33 C ATOM 836 C GLU A 56 -7.852 -7.251 3.230 1.00 41.21 C ATOM 837 O GLU A 56 -7.406 -8.348 2.863 1.00 54.11 O ATOM 838 CB GLU A 56 -6.322 -5.575 2.054 1.00 4.43 C ATOM 839 CG GLU A 56 -5.965 -5.141 0.615 1.00 65.30 C ATOM 840 CD GLU A 56 -6.587 -3.812 0.161 1.00 1.13 C ATOM 841 OE1 GLU A 56 -7.786 -3.783 -0.217 1.00 61.32 O ATOM 842 OE2 GLU A 56 -5.866 -2.795 0.161 1.00 53.21 O ATOM 0 H GLU A 56 -8.133 -4.237 3.344 1.00 12.55 H new ATOM 0 HA GLU A 56 -8.238 -6.356 1.321 1.00 42.33 H new ATOM 0 HB2 GLU A 56 -6.115 -4.744 2.728 1.00 4.43 H new ATOM 0 HB3 GLU A 56 -5.661 -6.392 2.343 1.00 4.43 H new ATOM 0 HG2 GLU A 56 -4.881 -5.063 0.534 1.00 65.30 H new ATOM 0 HG3 GLU A 56 -6.280 -5.925 -0.073 1.00 65.30 H new ATOM 849 N ILE A 57 -8.373 -7.056 4.450 1.00 31.32 N ATOM 850 CA ILE A 57 -8.271 -8.051 5.535 1.00 43.23 C ATOM 851 C ILE A 57 -9.570 -8.894 5.651 1.00 32.32 C ATOM 852 O ILE A 57 -10.678 -8.349 5.666 1.00 73.33 O ATOM 853 CB ILE A 57 -7.906 -7.346 6.907 1.00 30.40 C ATOM 854 CG1 ILE A 57 -6.402 -6.857 6.913 1.00 43.21 C ATOM 855 CG2 ILE A 57 -8.191 -8.267 8.121 1.00 60.45 C ATOM 856 CD1 ILE A 57 -6.080 -5.657 6.055 1.00 63.24 C ATOM 0 H ILE A 57 -8.876 -6.209 4.715 1.00 31.32 H new ATOM 0 HA ILE A 57 -7.463 -8.740 5.290 1.00 43.23 H new ATOM 0 HB ILE A 57 -8.550 -6.471 7.001 1.00 30.40 H new ATOM 0 HG12 ILE A 57 -6.122 -6.626 7.941 1.00 43.21 H new ATOM 0 HG13 ILE A 57 -5.772 -7.686 6.590 1.00 43.21 H new ATOM 0 HG21 ILE A 57 -7.928 -7.747 9.042 1.00 60.45 H new ATOM 0 HG22 ILE A 57 -9.250 -8.526 8.141 1.00 60.45 H new ATOM 0 HG23 ILE A 57 -7.596 -9.177 8.035 1.00 60.45 H new ATOM 0 HD11 ILE A 57 -5.020 -5.420 6.144 1.00 63.24 H new ATOM 0 HD12 ILE A 57 -6.316 -5.880 5.014 1.00 63.24 H new ATOM 0 HD13 ILE A 57 -6.671 -4.804 6.386 1.00 63.24 H new ATOM 868 N LYS A 58 -9.388 -10.226 5.746 1.00 71.13 N ATOM 869 CA LYS A 58 -10.477 -11.222 5.847 1.00 4.24 C ATOM 870 C LYS A 58 -11.358 -11.023 7.101 1.00 25.34 C ATOM 871 O LYS A 58 -12.589 -11.090 7.027 1.00 74.31 O ATOM 872 CB LYS A 58 -9.857 -12.646 5.851 1.00 23.13 C ATOM 873 CG LYS A 58 -10.870 -13.813 5.881 1.00 54.32 C ATOM 874 CD LYS A 58 -11.762 -13.859 4.618 1.00 51.34 C ATOM 875 CE LYS A 58 -12.789 -14.999 4.660 1.00 5.13 C ATOM 876 NZ LYS A 58 -13.622 -15.035 3.429 1.00 13.23 N ATOM 0 H LYS A 58 -8.460 -10.650 5.755 1.00 71.13 H new ATOM 0 HA LYS A 58 -11.131 -11.089 4.985 1.00 4.24 H new ATOM 0 HB2 LYS A 58 -9.232 -12.753 4.965 1.00 23.13 H new ATOM 0 HB3 LYS A 58 -9.201 -12.735 6.717 1.00 23.13 H new ATOM 0 HG2 LYS A 58 -10.330 -14.755 5.975 1.00 54.32 H new ATOM 0 HG3 LYS A 58 -11.502 -13.718 6.764 1.00 54.32 H new ATOM 0 HD2 LYS A 58 -12.285 -12.908 4.512 1.00 51.34 H new ATOM 0 HD3 LYS A 58 -11.131 -13.976 3.737 1.00 51.34 H new ATOM 0 HE2 LYS A 58 -12.271 -15.951 4.777 1.00 5.13 H new ATOM 0 HE3 LYS A 58 -13.432 -14.877 5.531 1.00 5.13 H new ATOM 0 HZ1 LYS A 58 -14.304 -15.818 3.494 1.00 13.23 H new ATOM 0 HZ2 LYS A 58 -14.135 -14.136 3.331 1.00 13.23 H new ATOM 0 HZ3 LYS A 58 -13.010 -15.177 2.600 1.00 13.23 H new ATOM 890 N ASP A 59 -10.710 -10.778 8.244 1.00 22.03 N ATOM 891 CA ASP A 59 -11.403 -10.670 9.540 1.00 73.41 C ATOM 892 C ASP A 59 -12.085 -9.302 9.741 1.00 0.11 C ATOM 893 O ASP A 59 -12.999 -9.222 10.566 1.00 1.15 O ATOM 894 CB ASP A 59 -10.418 -10.940 10.703 1.00 70.02 C ATOM 895 CG ASP A 59 -11.118 -11.099 12.072 1.00 63.34 C ATOM 896 OD1 ASP A 59 -11.927 -12.038 12.221 1.00 1.00 O ATOM 897 OD2 ASP A 59 -10.877 -10.283 12.988 1.00 25.20 O ATOM 0 H ASP A 59 -9.700 -10.649 8.302 1.00 22.03 H new ATOM 0 HA ASP A 59 -12.188 -11.426 9.537 1.00 73.41 H new ATOM 0 HB2 ASP A 59 -9.850 -11.844 10.486 1.00 70.02 H new ATOM 0 HB3 ASP A 59 -9.702 -10.120 10.762 1.00 70.02 H new ATOM 902 N ALA A 60 -11.700 -8.282 8.918 1.00 11.42 N ATOM 903 CA ALA A 60 -11.914 -6.825 9.190 1.00 74.43 C ATOM 904 C ALA A 60 -13.174 -6.499 10.024 1.00 50.20 C ATOM 905 O ALA A 60 -13.049 -5.987 11.134 1.00 71.32 O ATOM 906 CB ALA A 60 -11.939 -6.047 7.865 1.00 3.35 C ATOM 0 H ALA A 60 -11.224 -8.451 8.032 1.00 11.42 H new ATOM 0 HA ALA A 60 -11.072 -6.512 9.807 1.00 74.43 H new ATOM 0 HB1 ALA A 60 -12.095 -4.988 8.068 1.00 3.35 H new ATOM 0 HB2 ALA A 60 -10.990 -6.181 7.346 1.00 3.35 H new ATOM 0 HB3 ALA A 60 -12.750 -6.420 7.239 1.00 3.35 H new ATOM 912 N GLY A 61 -14.373 -6.826 9.504 1.00 64.20 N ATOM 913 CA GLY A 61 -15.609 -6.762 10.318 1.00 2.21 C ATOM 914 C GLY A 61 -15.975 -5.361 10.811 1.00 61.11 C ATOM 915 O GLY A 61 -16.647 -5.230 11.847 1.00 43.20 O ATOM 0 H GLY A 61 -14.515 -7.132 8.541 1.00 64.20 H new ATOM 0 HA2 GLY A 61 -16.438 -7.153 9.728 1.00 2.21 H new ATOM 0 HA3 GLY A 61 -15.495 -7.418 11.181 1.00 2.21 H new ATOM 919 N ASP A 62 -15.469 -4.332 10.091 1.00 25.12 N ATOM 920 CA ASP A 62 -15.635 -2.897 10.416 1.00 60.33 C ATOM 921 C ASP A 62 -14.775 -2.460 11.663 1.00 62.13 C ATOM 922 O ASP A 62 -14.709 -1.265 11.972 1.00 23.20 O ATOM 923 CB ASP A 62 -17.160 -2.548 10.547 1.00 14.43 C ATOM 924 CG ASP A 62 -17.465 -1.096 10.949 1.00 71.30 C ATOM 925 OD1 ASP A 62 -17.463 -0.207 10.073 1.00 35.12 O ATOM 926 OD2 ASP A 62 -17.716 -0.842 12.150 1.00 12.40 O ATOM 0 H ASP A 62 -14.919 -4.482 9.245 1.00 25.12 H new ATOM 0 HA ASP A 62 -15.240 -2.305 9.591 1.00 60.33 H new ATOM 0 HB2 ASP A 62 -17.647 -2.755 9.594 1.00 14.43 H new ATOM 0 HB3 ASP A 62 -17.607 -3.214 11.285 1.00 14.43 H new ATOM 931 N LYS A 63 -14.046 -3.404 12.321 1.00 3.15 N ATOM 932 CA LYS A 63 -13.212 -3.070 13.515 1.00 1.31 C ATOM 933 C LYS A 63 -11.867 -2.433 13.090 1.00 31.21 C ATOM 934 O LYS A 63 -11.364 -2.687 11.987 1.00 40.23 O ATOM 935 CB LYS A 63 -12.934 -4.306 14.439 1.00 62.01 C ATOM 936 CG LYS A 63 -11.833 -5.284 13.949 1.00 1.31 C ATOM 937 CD LYS A 63 -11.411 -6.321 15.026 1.00 33.13 C ATOM 938 CE LYS A 63 -10.340 -7.298 14.502 1.00 0.20 C ATOM 939 NZ LYS A 63 -9.871 -8.255 15.533 1.00 1.25 N ATOM 0 H LYS A 63 -14.017 -4.387 12.052 1.00 3.15 H new ATOM 0 HA LYS A 63 -13.795 -2.353 14.093 1.00 1.31 H new ATOM 0 HB2 LYS A 63 -12.655 -3.941 15.427 1.00 62.01 H new ATOM 0 HB3 LYS A 63 -13.863 -4.864 14.556 1.00 62.01 H new ATOM 0 HG2 LYS A 63 -12.193 -5.813 13.066 1.00 1.31 H new ATOM 0 HG3 LYS A 63 -10.958 -4.711 13.643 1.00 1.31 H new ATOM 0 HD2 LYS A 63 -11.026 -5.798 15.901 1.00 33.13 H new ATOM 0 HD3 LYS A 63 -12.287 -6.883 15.350 1.00 33.13 H new ATOM 0 HE2 LYS A 63 -10.746 -7.854 13.657 1.00 0.20 H new ATOM 0 HE3 LYS A 63 -9.489 -6.729 14.129 1.00 0.20 H new ATOM 0 HZ1 LYS A 63 -8.881 -8.047 15.775 1.00 1.25 H new ATOM 0 HZ2 LYS A 63 -10.462 -8.165 16.384 1.00 1.25 H new ATOM 0 HZ3 LYS A 63 -9.941 -9.225 15.164 1.00 1.25 H new ATOM 953 N THR A 64 -11.291 -1.619 13.983 1.00 73.11 N ATOM 954 CA THR A 64 -9.937 -1.060 13.801 1.00 2.50 C ATOM 955 C THR A 64 -8.894 -2.086 14.299 1.00 75.33 C ATOM 956 O THR A 64 -8.900 -2.475 15.476 1.00 43.25 O ATOM 957 CB THR A 64 -9.751 0.302 14.552 1.00 1.45 C ATOM 958 OG1 THR A 64 -10.734 1.247 14.098 1.00 75.13 O ATOM 959 CG2 THR A 64 -8.338 0.892 14.338 1.00 2.42 C ATOM 0 H THR A 64 -11.744 -1.328 14.849 1.00 73.11 H new ATOM 0 HA THR A 64 -9.795 -0.861 12.739 1.00 2.50 H new ATOM 0 HB THR A 64 -9.878 0.108 15.617 1.00 1.45 H new ATOM 0 HG1 THR A 64 -10.615 2.096 14.572 1.00 75.13 H new ATOM 0 HG21 THR A 64 -8.253 1.836 14.876 1.00 2.42 H new ATOM 0 HG22 THR A 64 -7.591 0.192 14.712 1.00 2.42 H new ATOM 0 HG23 THR A 64 -8.173 1.064 13.274 1.00 2.42 H new ATOM 967 N LEU A 65 -8.025 -2.535 13.382 1.00 4.44 N ATOM 968 CA LEU A 65 -6.973 -3.533 13.667 1.00 30.32 C ATOM 969 C LEU A 65 -5.832 -2.899 14.508 1.00 21.43 C ATOM 970 O LEU A 65 -5.249 -1.888 14.112 1.00 2.13 O ATOM 971 CB LEU A 65 -6.433 -4.080 12.326 1.00 4.52 C ATOM 972 CG LEU A 65 -7.502 -4.648 11.334 1.00 34.24 C ATOM 973 CD1 LEU A 65 -6.877 -4.945 9.963 1.00 33.33 C ATOM 974 CD2 LEU A 65 -8.201 -5.897 11.912 1.00 70.42 C ATOM 0 H LEU A 65 -8.029 -2.216 12.413 1.00 4.44 H new ATOM 0 HA LEU A 65 -7.392 -4.353 14.250 1.00 30.32 H new ATOM 0 HB2 LEU A 65 -5.889 -3.280 11.823 1.00 4.52 H new ATOM 0 HB3 LEU A 65 -5.712 -4.869 12.542 1.00 4.52 H new ATOM 0 HG LEU A 65 -8.265 -3.882 11.196 1.00 34.24 H new ATOM 0 HD11 LEU A 65 -7.641 -5.339 9.292 1.00 33.33 H new ATOM 0 HD12 LEU A 65 -6.465 -4.027 9.544 1.00 33.33 H new ATOM 0 HD13 LEU A 65 -6.081 -5.681 10.078 1.00 33.33 H new ATOM 0 HD21 LEU A 65 -8.937 -6.265 11.197 1.00 70.42 H new ATOM 0 HD22 LEU A 65 -7.460 -6.673 12.102 1.00 70.42 H new ATOM 0 HD23 LEU A 65 -8.700 -5.635 12.845 1.00 70.42 H new ATOM 986 N GLN A 66 -5.530 -3.499 15.665 1.00 61.31 N ATOM 987 CA GLN A 66 -4.597 -2.925 16.670 1.00 74.34 C ATOM 988 C GLN A 66 -3.266 -3.721 16.725 1.00 51.44 C ATOM 989 O GLN A 66 -3.233 -4.881 16.303 1.00 4.14 O ATOM 990 CB GLN A 66 -5.313 -2.919 18.050 1.00 14.51 C ATOM 991 CG GLN A 66 -6.633 -2.117 18.048 1.00 30.44 C ATOM 992 CD GLN A 66 -7.409 -2.162 19.358 1.00 41.23 C ATOM 993 OE1 GLN A 66 -6.847 -2.289 20.445 1.00 35.22 O ATOM 994 NE2 GLN A 66 -8.722 -2.060 19.268 1.00 41.20 N ATOM 0 H GLN A 66 -5.921 -4.399 15.942 1.00 61.31 H new ATOM 0 HA GLN A 66 -4.334 -1.905 16.389 1.00 74.34 H new ATOM 0 HB2 GLN A 66 -5.520 -3.947 18.349 1.00 14.51 H new ATOM 0 HB3 GLN A 66 -4.641 -2.499 18.799 1.00 14.51 H new ATOM 0 HG2 GLN A 66 -6.410 -1.077 17.810 1.00 30.44 H new ATOM 0 HG3 GLN A 66 -7.271 -2.497 17.250 1.00 30.44 H new ATOM 0 HE21 GLN A 66 -9.164 -1.955 18.355 1.00 41.20 H new ATOM 0 HE22 GLN A 66 -9.295 -2.086 20.112 1.00 41.20 H new ATOM 1003 N PRO A 67 -2.125 -3.092 17.189 1.00 2.53 N ATOM 1004 CA PRO A 67 -0.830 -3.802 17.396 1.00 24.24 C ATOM 1005 C PRO A 67 -0.962 -5.170 18.140 1.00 13.23 C ATOM 1006 O PRO A 67 -1.315 -5.218 19.323 1.00 24.40 O ATOM 1007 CB PRO A 67 0.001 -2.781 18.209 1.00 61.41 C ATOM 1008 CG PRO A 67 -0.495 -1.450 17.730 1.00 3.21 C ATOM 1009 CD PRO A 67 -1.986 -1.630 17.486 1.00 54.43 C ATOM 0 HA PRO A 67 -0.373 -4.088 16.449 1.00 24.24 H new ATOM 0 HB2 PRO A 67 -0.154 -2.903 19.281 1.00 61.41 H new ATOM 0 HB3 PRO A 67 1.069 -2.899 18.026 1.00 61.41 H new ATOM 0 HG2 PRO A 67 -0.311 -0.673 18.472 1.00 3.21 H new ATOM 0 HG3 PRO A 67 0.017 -1.147 16.817 1.00 3.21 H new ATOM 0 HD2 PRO A 67 -2.572 -1.341 18.359 1.00 54.43 H new ATOM 0 HD3 PRO A 67 -2.332 -1.018 16.653 1.00 54.43 H new ATOM 1017 N GLY A 68 -0.701 -6.272 17.403 1.00 35.50 N ATOM 1018 CA GLY A 68 -0.803 -7.646 17.938 1.00 41.15 C ATOM 1019 C GLY A 68 -1.873 -8.520 17.260 1.00 34.43 C ATOM 1020 O GLY A 68 -1.838 -9.749 17.404 1.00 12.40 O ATOM 0 H GLY A 68 -0.415 -6.234 16.425 1.00 35.50 H new ATOM 0 HA2 GLY A 68 0.166 -8.135 17.834 1.00 41.15 H new ATOM 0 HA3 GLY A 68 -1.020 -7.591 19.005 1.00 41.15 H new ATOM 1024 N ASP A 69 -2.820 -7.901 16.518 1.00 31.42 N ATOM 1025 CA ASP A 69 -3.882 -8.639 15.781 1.00 12.03 C ATOM 1026 C ASP A 69 -3.303 -9.521 14.634 1.00 61.45 C ATOM 1027 O ASP A 69 -2.498 -9.056 13.822 1.00 21.25 O ATOM 1028 CB ASP A 69 -4.944 -7.649 15.199 1.00 50.55 C ATOM 1029 CG ASP A 69 -5.980 -7.167 16.234 1.00 75.32 C ATOM 1030 OD1 ASP A 69 -5.657 -6.292 17.057 1.00 73.22 O ATOM 1031 OD2 ASP A 69 -7.121 -7.689 16.238 1.00 75.22 O ATOM 0 H ASP A 69 -2.873 -6.888 16.411 1.00 31.42 H new ATOM 0 HA ASP A 69 -4.360 -9.302 16.503 1.00 12.03 H new ATOM 0 HB2 ASP A 69 -4.430 -6.783 14.783 1.00 50.55 H new ATOM 0 HB3 ASP A 69 -5.467 -8.135 14.375 1.00 50.55 H new ATOM 1036 N GLN A 70 -3.730 -10.800 14.590 1.00 61.15 N ATOM 1037 CA GLN A 70 -3.427 -11.708 13.461 1.00 21.44 C ATOM 1038 C GLN A 70 -4.515 -11.542 12.384 1.00 24.12 C ATOM 1039 O GLN A 70 -5.703 -11.715 12.672 1.00 35.32 O ATOM 1040 CB GLN A 70 -3.365 -13.188 13.934 1.00 21.40 C ATOM 1041 CG GLN A 70 -2.263 -13.505 14.958 1.00 11.14 C ATOM 1042 CD GLN A 70 -0.843 -13.264 14.428 1.00 51.25 C ATOM 1043 OE1 GLN A 70 -0.304 -12.081 14.658 1.00 30.41 O flip ATOM 1044 NE2 GLN A 70 -0.229 -14.145 13.836 1.00 70.34 N flip ATOM 0 H GLN A 70 -4.289 -11.230 15.327 1.00 61.15 H new ATOM 0 HA GLN A 70 -2.451 -11.450 13.049 1.00 21.44 H new ATOM 0 HB2 GLN A 70 -4.329 -13.454 14.368 1.00 21.40 H new ATOM 0 HB3 GLN A 70 -3.221 -13.825 13.061 1.00 21.40 H new ATOM 0 HG2 GLN A 70 -2.418 -12.894 15.847 1.00 11.14 H new ATOM 0 HG3 GLN A 70 -2.355 -14.546 15.267 1.00 11.14 H new ATOM 0 HE21 GLN A 70 -0.669 -15.051 13.671 1.00 70.34 H new ATOM 0 HE22 GLN A 70 0.721 -13.972 13.508 1.00 70.34 H new ATOM 1053 N VAL A 71 -4.120 -11.182 11.157 1.00 43.33 N ATOM 1054 CA VAL A 71 -5.056 -10.902 10.044 1.00 41.22 C ATOM 1055 C VAL A 71 -4.657 -11.697 8.779 1.00 13.25 C ATOM 1056 O VAL A 71 -3.477 -11.944 8.542 1.00 70.41 O ATOM 1057 CB VAL A 71 -5.100 -9.354 9.726 1.00 10.04 C ATOM 1058 CG1 VAL A 71 -5.644 -8.546 10.936 1.00 32.31 C ATOM 1059 CG2 VAL A 71 -3.708 -8.815 9.285 1.00 43.53 C ATOM 0 H VAL A 71 -3.139 -11.074 10.900 1.00 43.33 H new ATOM 0 HA VAL A 71 -6.052 -11.221 10.353 1.00 41.22 H new ATOM 0 HB VAL A 71 -5.786 -9.219 8.890 1.00 10.04 H new ATOM 0 HG11 VAL A 71 -5.662 -7.485 10.686 1.00 32.31 H new ATOM 0 HG12 VAL A 71 -6.654 -8.881 11.172 1.00 32.31 H new ATOM 0 HG13 VAL A 71 -4.998 -8.705 11.799 1.00 32.31 H new ATOM 0 HG21 VAL A 71 -3.781 -7.748 9.076 1.00 43.53 H new ATOM 0 HG22 VAL A 71 -2.984 -8.980 10.083 1.00 43.53 H new ATOM 0 HG23 VAL A 71 -3.383 -9.340 8.387 1.00 43.53 H new ATOM 1069 N ILE A 72 -5.650 -12.113 7.979 1.00 62.04 N ATOM 1070 CA ILE A 72 -5.413 -12.824 6.698 1.00 1.22 C ATOM 1071 C ILE A 72 -5.580 -11.836 5.523 1.00 0.23 C ATOM 1072 O ILE A 72 -6.528 -11.043 5.504 1.00 21.51 O ATOM 1073 CB ILE A 72 -6.401 -14.039 6.517 1.00 21.44 C ATOM 1074 CG1 ILE A 72 -6.319 -15.024 7.728 1.00 13.22 C ATOM 1075 CG2 ILE A 72 -6.155 -14.791 5.180 1.00 12.32 C ATOM 1076 CD1 ILE A 72 -4.970 -15.686 7.937 1.00 41.42 C ATOM 0 H ILE A 72 -6.637 -11.971 8.193 1.00 62.04 H new ATOM 0 HA ILE A 72 -4.397 -13.219 6.712 1.00 1.22 H new ATOM 0 HB ILE A 72 -7.409 -13.626 6.482 1.00 21.44 H new ATOM 0 HG12 ILE A 72 -6.583 -14.481 8.635 1.00 13.22 H new ATOM 0 HG13 ILE A 72 -7.070 -15.802 7.593 1.00 13.22 H new ATOM 0 HG21 ILE A 72 -6.857 -15.621 5.095 1.00 12.32 H new ATOM 0 HG22 ILE A 72 -6.300 -14.106 4.345 1.00 12.32 H new ATOM 0 HG23 ILE A 72 -5.135 -15.175 5.161 1.00 12.32 H new ATOM 0 HD11 ILE A 72 -5.020 -16.349 8.801 1.00 41.42 H new ATOM 0 HD12 ILE A 72 -4.707 -16.264 7.051 1.00 41.42 H new ATOM 0 HD13 ILE A 72 -4.212 -14.922 8.109 1.00 41.42 H new ATOM 1088 N LEU A 73 -4.656 -11.887 4.552 1.00 11.33 N ATOM 1089 CA LEU A 73 -4.678 -10.997 3.374 1.00 15.12 C ATOM 1090 C LEU A 73 -5.466 -11.639 2.202 1.00 3.33 C ATOM 1091 O LEU A 73 -5.026 -12.632 1.611 1.00 22.52 O ATOM 1092 CB LEU A 73 -3.225 -10.641 2.960 1.00 24.32 C ATOM 1093 CG LEU A 73 -2.364 -9.932 4.065 1.00 12.11 C ATOM 1094 CD1 LEU A 73 -0.953 -9.603 3.542 1.00 71.42 C ATOM 1095 CD2 LEU A 73 -3.076 -8.663 4.607 1.00 23.35 C ATOM 0 H LEU A 73 -3.874 -12.542 4.558 1.00 11.33 H new ATOM 0 HA LEU A 73 -5.197 -10.075 3.637 1.00 15.12 H new ATOM 0 HB2 LEU A 73 -2.716 -11.557 2.659 1.00 24.32 H new ATOM 0 HB3 LEU A 73 -3.263 -9.995 2.083 1.00 24.32 H new ATOM 0 HG LEU A 73 -2.255 -10.627 4.898 1.00 12.11 H new ATOM 0 HD11 LEU A 73 -0.379 -9.113 4.328 1.00 71.42 H new ATOM 0 HD12 LEU A 73 -0.451 -10.524 3.246 1.00 71.42 H new ATOM 0 HD13 LEU A 73 -1.030 -8.939 2.681 1.00 71.42 H new ATOM 0 HD21 LEU A 73 -2.454 -8.195 5.370 1.00 23.35 H new ATOM 0 HD22 LEU A 73 -3.238 -7.960 3.790 1.00 23.35 H new ATOM 0 HD23 LEU A 73 -4.036 -8.942 5.042 1.00 23.35 H new ATOM 1107 N GLU A 74 -6.658 -11.079 1.916 1.00 44.34 N ATOM 1108 CA GLU A 74 -7.513 -11.502 0.780 1.00 53.12 C ATOM 1109 C GLU A 74 -6.927 -11.033 -0.564 1.00 43.23 C ATOM 1110 O GLU A 74 -6.991 -11.749 -1.561 1.00 31.24 O ATOM 1111 CB GLU A 74 -8.947 -10.940 0.935 1.00 13.11 C ATOM 1112 CG GLU A 74 -9.672 -11.415 2.199 1.00 33.52 C ATOM 1113 CD GLU A 74 -11.111 -10.878 2.295 1.00 42.01 C ATOM 1114 OE1 GLU A 74 -11.297 -9.738 2.765 1.00 31.03 O ATOM 1115 OE2 GLU A 74 -12.051 -11.583 1.876 1.00 22.12 O ATOM 0 H GLU A 74 -7.059 -10.319 2.465 1.00 44.34 H new ATOM 0 HA GLU A 74 -7.548 -12.591 0.788 1.00 53.12 H new ATOM 0 HB2 GLU A 74 -8.900 -9.851 0.944 1.00 13.11 H new ATOM 0 HB3 GLU A 74 -9.534 -11.227 0.063 1.00 13.11 H new ATOM 0 HG2 GLU A 74 -9.693 -12.505 2.213 1.00 33.52 H new ATOM 0 HG3 GLU A 74 -9.110 -11.096 3.077 1.00 33.52 H new ATOM 1122 N ALA A 75 -6.394 -9.801 -0.588 1.00 21.45 N ATOM 1123 CA ALA A 75 -5.678 -9.256 -1.764 1.00 44.22 C ATOM 1124 C ALA A 75 -4.175 -9.591 -1.701 1.00 23.22 C ATOM 1125 O ALA A 75 -3.679 -10.127 -0.698 1.00 51.13 O ATOM 1126 CB ALA A 75 -5.884 -7.736 -1.850 1.00 34.22 C ATOM 0 H ALA A 75 -6.444 -9.154 0.199 1.00 21.45 H new ATOM 0 HA ALA A 75 -6.089 -9.721 -2.660 1.00 44.22 H new ATOM 0 HB1 ALA A 75 -5.353 -7.345 -2.718 1.00 34.22 H new ATOM 0 HB2 ALA A 75 -6.948 -7.518 -1.946 1.00 34.22 H new ATOM 0 HB3 ALA A 75 -5.497 -7.265 -0.946 1.00 34.22 H new ATOM 1132 N SER A 76 -3.457 -9.257 -2.779 1.00 22.43 N ATOM 1133 CA SER A 76 -2.003 -9.461 -2.867 1.00 12.12 C ATOM 1134 C SER A 76 -1.376 -8.373 -3.762 1.00 43.32 C ATOM 1135 O SER A 76 -1.790 -8.206 -4.915 1.00 10.34 O ATOM 1136 CB SER A 76 -1.728 -10.868 -3.454 1.00 41.32 C ATOM 1137 OG SER A 76 -0.355 -11.181 -3.463 1.00 23.11 O ATOM 0 H SER A 76 -3.865 -8.838 -3.615 1.00 22.43 H new ATOM 0 HA SER A 76 -1.557 -9.390 -1.875 1.00 12.12 H new ATOM 0 HB2 SER A 76 -2.265 -11.615 -2.870 1.00 41.32 H new ATOM 0 HB3 SER A 76 -2.117 -10.918 -4.471 1.00 41.32 H new ATOM 0 HG SER A 76 -0.226 -12.077 -3.840 1.00 23.11 H new ATOM 1143 N HIS A 77 -0.373 -7.650 -3.237 1.00 44.10 N ATOM 1144 CA HIS A 77 0.376 -6.618 -3.996 1.00 32.10 C ATOM 1145 C HIS A 77 1.560 -7.252 -4.777 1.00 63.31 C ATOM 1146 O HIS A 77 2.091 -6.649 -5.719 1.00 51.14 O ATOM 1147 CB HIS A 77 0.891 -5.517 -3.025 1.00 41.32 C ATOM 1148 CG HIS A 77 -0.179 -4.858 -2.175 1.00 20.40 C ATOM 1149 ND1 HIS A 77 0.139 -4.227 -0.995 1.00 32.35 N ATOM 1150 CD2 HIS A 77 -1.523 -4.742 -2.379 1.00 40.22 C ATOM 1151 CE1 HIS A 77 -0.993 -3.745 -0.520 1.00 44.34 C ATOM 1152 NE2 HIS A 77 -2.027 -4.030 -1.320 1.00 32.31 N ATOM 0 H HIS A 77 -0.054 -7.760 -2.275 1.00 44.10 H new ATOM 0 HA HIS A 77 -0.299 -6.164 -4.722 1.00 32.10 H new ATOM 0 HB2 HIS A 77 1.638 -5.957 -2.365 1.00 41.32 H new ATOM 0 HB3 HIS A 77 1.396 -4.747 -3.608 1.00 41.32 H new ATOM 0 HD2 HIS A 77 -2.083 -5.135 -3.214 1.00 40.22 H new ATOM 0 HE1 HIS A 77 -1.075 -3.188 0.402 1.00 44.34 H new ATOM 0 HE2 HIS A 77 -3.002 -3.768 -1.171 1.00 32.31 H new ATOM 1160 N MET A 78 1.954 -8.475 -4.364 1.00 71.25 N ATOM 1161 CA MET A 78 3.056 -9.251 -4.982 1.00 45.22 C ATOM 1162 C MET A 78 2.844 -10.763 -4.721 1.00 33.10 C ATOM 1163 O MET A 78 2.310 -11.133 -3.679 1.00 72.51 O ATOM 1164 CB MET A 78 4.427 -8.773 -4.423 1.00 53.01 C ATOM 1165 CG MET A 78 4.540 -8.801 -2.891 1.00 74.03 C ATOM 1166 SD MET A 78 6.152 -8.220 -2.317 1.00 20.13 S ATOM 1167 CE MET A 78 5.930 -8.257 -0.539 1.00 73.12 C ATOM 0 H MET A 78 1.512 -8.959 -3.583 1.00 71.25 H new ATOM 0 HA MET A 78 3.055 -9.085 -6.059 1.00 45.22 H new ATOM 0 HB2 MET A 78 5.214 -9.399 -4.843 1.00 53.01 H new ATOM 0 HB3 MET A 78 4.610 -7.756 -4.769 1.00 53.01 H new ATOM 0 HG2 MET A 78 3.756 -8.179 -2.459 1.00 74.03 H new ATOM 0 HG3 MET A 78 4.373 -9.817 -2.534 1.00 74.03 H new ATOM 0 HE1 MET A 78 6.887 -8.079 -0.049 1.00 73.12 H new ATOM 0 HE2 MET A 78 5.222 -7.482 -0.245 1.00 73.12 H new ATOM 0 HE3 MET A 78 5.546 -9.232 -0.241 1.00 73.12 H new ATOM 1177 N LYS A 79 3.271 -11.615 -5.670 1.00 4.42 N ATOM 1178 CA LYS A 79 3.035 -13.092 -5.639 1.00 43.33 C ATOM 1179 C LYS A 79 3.451 -13.764 -4.290 1.00 60.52 C ATOM 1180 O LYS A 79 4.587 -13.610 -3.825 1.00 25.43 O ATOM 1181 CB LYS A 79 3.756 -13.761 -6.843 1.00 25.31 C ATOM 1182 CG LYS A 79 5.279 -13.495 -6.925 1.00 34.25 C ATOM 1183 CD LYS A 79 5.939 -14.046 -8.216 1.00 21.22 C ATOM 1184 CE LYS A 79 5.597 -13.246 -9.496 1.00 43.33 C ATOM 1185 NZ LYS A 79 4.168 -13.353 -9.907 1.00 42.20 N ATOM 0 H LYS A 79 3.794 -11.308 -6.490 1.00 4.42 H new ATOM 0 HA LYS A 79 1.959 -13.246 -5.721 1.00 43.33 H new ATOM 0 HB2 LYS A 79 3.593 -14.838 -6.792 1.00 25.31 H new ATOM 0 HB3 LYS A 79 3.291 -13.411 -7.765 1.00 25.31 H new ATOM 0 HG2 LYS A 79 5.455 -12.421 -6.867 1.00 34.25 H new ATOM 0 HG3 LYS A 79 5.765 -13.944 -6.059 1.00 34.25 H new ATOM 0 HD2 LYS A 79 7.021 -14.052 -8.083 1.00 21.22 H new ATOM 0 HD3 LYS A 79 5.629 -15.082 -8.355 1.00 21.22 H new ATOM 0 HE2 LYS A 79 5.841 -12.196 -9.334 1.00 43.33 H new ATOM 0 HE3 LYS A 79 6.228 -13.597 -10.313 1.00 43.33 H new ATOM 0 HZ1 LYS A 79 4.109 -13.417 -10.943 1.00 42.20 H new ATOM 0 HZ2 LYS A 79 3.748 -14.204 -9.483 1.00 42.20 H new ATOM 0 HZ3 LYS A 79 3.649 -12.512 -9.582 1.00 42.20 H new ATOM 1199 N GLY A 80 2.485 -14.469 -3.659 1.00 24.52 N ATOM 1200 CA GLY A 80 2.705 -15.151 -2.367 1.00 45.54 C ATOM 1201 C GLY A 80 2.126 -14.405 -1.154 1.00 74.44 C ATOM 1202 O GLY A 80 1.984 -14.988 -0.078 1.00 11.42 O ATOM 0 H GLY A 80 1.541 -14.580 -4.028 1.00 24.52 H new ATOM 0 HA2 GLY A 80 2.261 -16.145 -2.414 1.00 45.54 H new ATOM 0 HA3 GLY A 80 3.776 -15.287 -2.218 1.00 45.54 H new ATOM 1206 N MET A 81 1.790 -13.115 -1.331 1.00 15.54 N ATOM 1207 CA MET A 81 1.258 -12.249 -0.247 1.00 23.54 C ATOM 1208 C MET A 81 -0.175 -12.667 0.202 1.00 10.15 C ATOM 1209 O MET A 81 -0.492 -12.629 1.401 1.00 23.34 O ATOM 1210 CB MET A 81 1.292 -10.775 -0.726 1.00 1.45 C ATOM 1211 CG MET A 81 0.746 -9.741 0.254 1.00 70.35 C ATOM 1212 SD MET A 81 0.879 -8.070 -0.406 1.00 73.42 S ATOM 1213 CE MET A 81 0.195 -7.110 0.935 1.00 34.44 C ATOM 0 H MET A 81 1.877 -12.637 -2.228 1.00 15.54 H new ATOM 0 HA MET A 81 1.890 -12.366 0.633 1.00 23.54 H new ATOM 0 HB2 MET A 81 2.324 -10.514 -0.962 1.00 1.45 H new ATOM 0 HB3 MET A 81 0.725 -10.702 -1.654 1.00 1.45 H new ATOM 0 HG2 MET A 81 -0.298 -9.964 0.475 1.00 70.35 H new ATOM 0 HG3 MET A 81 1.292 -9.806 1.195 1.00 70.35 H new ATOM 0 HE1 MET A 81 0.292 -6.048 0.709 1.00 34.44 H new ATOM 0 HE2 MET A 81 -0.859 -7.359 1.060 1.00 34.44 H new ATOM 0 HE3 MET A 81 0.733 -7.336 1.856 1.00 34.44 H new ATOM 1223 N LYS A 82 -1.032 -13.060 -0.765 1.00 32.14 N ATOM 1224 CA LYS A 82 -2.394 -13.578 -0.469 1.00 33.21 C ATOM 1225 C LYS A 82 -2.340 -14.936 0.282 1.00 52.33 C ATOM 1226 O LYS A 82 -1.562 -15.832 -0.083 1.00 3.32 O ATOM 1227 CB LYS A 82 -3.238 -13.741 -1.766 1.00 12.33 C ATOM 1228 CG LYS A 82 -4.683 -14.238 -1.515 1.00 42.20 C ATOM 1229 CD LYS A 82 -5.522 -14.405 -2.804 1.00 60.50 C ATOM 1230 CE LYS A 82 -6.959 -14.882 -2.502 1.00 22.32 C ATOM 1231 NZ LYS A 82 -7.768 -15.044 -3.732 1.00 42.24 N ATOM 0 H LYS A 82 -0.808 -13.030 -1.760 1.00 32.14 H new ATOM 0 HA LYS A 82 -2.872 -12.839 0.174 1.00 33.21 H new ATOM 0 HB2 LYS A 82 -3.278 -12.783 -2.284 1.00 12.33 H new ATOM 0 HB3 LYS A 82 -2.733 -14.442 -2.431 1.00 12.33 H new ATOM 0 HG2 LYS A 82 -4.642 -15.194 -0.993 1.00 42.20 H new ATOM 0 HG3 LYS A 82 -5.189 -13.535 -0.853 1.00 42.20 H new ATOM 0 HD2 LYS A 82 -5.560 -13.455 -3.337 1.00 60.50 H new ATOM 0 HD3 LYS A 82 -5.033 -15.122 -3.464 1.00 60.50 H new ATOM 0 HE2 LYS A 82 -6.920 -15.832 -1.968 1.00 22.32 H new ATOM 0 HE3 LYS A 82 -7.446 -14.165 -1.841 1.00 22.32 H new ATOM 0 HZ1 LYS A 82 -8.724 -15.365 -3.479 1.00 42.24 H new ATOM 0 HZ2 LYS A 82 -7.829 -14.133 -4.230 1.00 42.24 H new ATOM 0 HZ3 LYS A 82 -7.319 -15.748 -4.352 1.00 42.24 H new ATOM 1245 N GLY A 83 -3.168 -15.064 1.337 1.00 14.44 N ATOM 1246 CA GLY A 83 -3.269 -16.304 2.122 1.00 23.52 C ATOM 1247 C GLY A 83 -2.320 -16.328 3.322 1.00 21.23 C ATOM 1248 O GLY A 83 -2.377 -17.247 4.145 1.00 32.05 O ATOM 0 H GLY A 83 -3.780 -14.316 1.665 1.00 14.44 H new ATOM 0 HA2 GLY A 83 -4.294 -16.423 2.473 1.00 23.52 H new ATOM 0 HA3 GLY A 83 -3.052 -17.155 1.477 1.00 23.52 H new ATOM 1252 N ALA A 84 -1.438 -15.312 3.413 1.00 64.51 N ATOM 1253 CA ALA A 84 -0.437 -15.209 4.490 1.00 52.22 C ATOM 1254 C ALA A 84 -1.065 -14.690 5.801 1.00 35.44 C ATOM 1255 O ALA A 84 -1.946 -13.818 5.782 1.00 14.43 O ATOM 1256 CB ALA A 84 0.726 -14.299 4.046 1.00 14.34 C ATOM 0 H ALA A 84 -1.401 -14.543 2.744 1.00 64.51 H new ATOM 0 HA ALA A 84 -0.050 -16.209 4.688 1.00 52.22 H new ATOM 0 HB1 ALA A 84 1.460 -14.229 4.849 1.00 14.34 H new ATOM 0 HB2 ALA A 84 1.198 -14.719 3.158 1.00 14.34 H new ATOM 0 HB3 ALA A 84 0.343 -13.304 3.817 1.00 14.34 H new ATOM 1262 N THR A 85 -0.586 -15.231 6.933 1.00 25.34 N ATOM 1263 CA THR A 85 -0.984 -14.769 8.279 1.00 30.41 C ATOM 1264 C THR A 85 -0.065 -13.601 8.693 1.00 20.41 C ATOM 1265 O THR A 85 1.148 -13.778 8.843 1.00 63.33 O ATOM 1266 CB THR A 85 -0.910 -15.912 9.349 1.00 53.25 C ATOM 1267 OG1 THR A 85 -1.676 -17.042 8.900 1.00 75.22 O ATOM 1268 CG2 THR A 85 -1.438 -15.454 10.731 1.00 3.21 C ATOM 0 H THR A 85 0.086 -15.998 6.945 1.00 25.34 H new ATOM 0 HA THR A 85 -2.024 -14.444 8.233 1.00 30.41 H new ATOM 0 HB THR A 85 0.139 -16.184 9.466 1.00 53.25 H new ATOM 0 HG1 THR A 85 -1.628 -17.757 9.569 1.00 75.22 H new ATOM 0 HG21 THR A 85 -1.367 -16.279 11.439 1.00 3.21 H new ATOM 0 HG22 THR A 85 -0.840 -14.616 11.089 1.00 3.21 H new ATOM 0 HG23 THR A 85 -2.479 -15.144 10.638 1.00 3.21 H new ATOM 1276 N ALA A 86 -0.654 -12.424 8.880 1.00 44.15 N ATOM 1277 CA ALA A 86 0.077 -11.175 9.136 1.00 42.54 C ATOM 1278 C ALA A 86 -0.190 -10.691 10.565 1.00 21.54 C ATOM 1279 O ALA A 86 -1.195 -11.053 11.171 1.00 53.42 O ATOM 1280 CB ALA A 86 -0.334 -10.105 8.102 1.00 12.33 C ATOM 0 H ALA A 86 -1.667 -12.303 8.859 1.00 44.15 H new ATOM 0 HA ALA A 86 1.147 -11.357 9.035 1.00 42.54 H new ATOM 0 HB1 ALA A 86 0.211 -9.182 8.297 1.00 12.33 H new ATOM 0 HB2 ALA A 86 -0.099 -10.460 7.098 1.00 12.33 H new ATOM 0 HB3 ALA A 86 -1.405 -9.917 8.179 1.00 12.33 H new ATOM 1286 N GLU A 87 0.719 -9.882 11.107 1.00 62.23 N ATOM 1287 CA GLU A 87 0.537 -9.253 12.425 1.00 53.52 C ATOM 1288 C GLU A 87 0.569 -7.734 12.268 1.00 13.31 C ATOM 1289 O GLU A 87 1.522 -7.192 11.702 1.00 24.03 O ATOM 1290 CB GLU A 87 1.629 -9.704 13.426 1.00 33.35 C ATOM 1291 CG GLU A 87 1.438 -9.145 14.854 1.00 72.44 C ATOM 1292 CD GLU A 87 2.469 -9.689 15.855 1.00 73.40 C ATOM 1293 OE1 GLU A 87 2.273 -10.816 16.358 1.00 45.33 O ATOM 1294 OE2 GLU A 87 3.475 -9.000 16.138 1.00 25.03 O ATOM 0 H GLU A 87 1.600 -9.642 10.652 1.00 62.23 H new ATOM 0 HA GLU A 87 -0.428 -9.566 12.824 1.00 53.52 H new ATOM 0 HB2 GLU A 87 1.639 -10.793 13.471 1.00 33.35 H new ATOM 0 HB3 GLU A 87 2.603 -9.391 13.051 1.00 33.35 H new ATOM 0 HG2 GLU A 87 1.507 -8.058 14.825 1.00 72.44 H new ATOM 0 HG3 GLU A 87 0.435 -9.391 15.204 1.00 72.44 H new ATOM 1301 N ILE A 88 -0.476 -7.059 12.764 1.00 54.42 N ATOM 1302 CA ILE A 88 -0.538 -5.590 12.773 1.00 25.44 C ATOM 1303 C ILE A 88 0.600 -5.025 13.659 1.00 14.25 C ATOM 1304 O ILE A 88 0.568 -5.141 14.883 1.00 15.44 O ATOM 1305 CB ILE A 88 -1.933 -5.066 13.283 1.00 23.33 C ATOM 1306 CG1 ILE A 88 -3.104 -5.714 12.480 1.00 34.53 C ATOM 1307 CG2 ILE A 88 -2.016 -3.513 13.229 1.00 55.42 C ATOM 1308 CD1 ILE A 88 -3.150 -5.361 11.004 1.00 4.34 C ATOM 0 H ILE A 88 -1.297 -7.511 13.168 1.00 54.42 H new ATOM 0 HA ILE A 88 -0.413 -5.242 11.748 1.00 25.44 H new ATOM 0 HB ILE A 88 -2.031 -5.365 14.327 1.00 23.33 H new ATOM 0 HG12 ILE A 88 -3.033 -6.797 12.576 1.00 34.53 H new ATOM 0 HG13 ILE A 88 -4.047 -5.415 12.938 1.00 34.53 H new ATOM 0 HG21 ILE A 88 -2.992 -3.188 13.588 1.00 55.42 H new ATOM 0 HG22 ILE A 88 -1.237 -3.085 13.859 1.00 55.42 H new ATOM 0 HG23 ILE A 88 -1.877 -3.177 12.202 1.00 55.42 H new ATOM 0 HD11 ILE A 88 -3.999 -5.861 10.537 1.00 4.34 H new ATOM 0 HD12 ILE A 88 -3.257 -4.282 10.891 1.00 4.34 H new ATOM 0 HD13 ILE A 88 -2.228 -5.686 10.523 1.00 4.34 H new ATOM 1320 N ASP A 89 1.628 -4.484 13.005 1.00 24.21 N ATOM 1321 CA ASP A 89 2.773 -3.841 13.663 1.00 1.40 C ATOM 1322 C ASP A 89 2.365 -2.439 14.179 1.00 12.24 C ATOM 1323 O ASP A 89 2.760 -2.025 15.278 1.00 41.44 O ATOM 1324 CB ASP A 89 3.944 -3.760 12.644 1.00 21.22 C ATOM 1325 CG ASP A 89 5.163 -2.984 13.159 1.00 64.33 C ATOM 1326 OD1 ASP A 89 5.904 -3.521 14.009 1.00 10.33 O ATOM 1327 OD2 ASP A 89 5.387 -1.832 12.716 1.00 43.44 O ATOM 0 H ASP A 89 1.693 -4.478 11.987 1.00 24.21 H new ATOM 0 HA ASP A 89 3.097 -4.423 14.526 1.00 1.40 H new ATOM 0 HB2 ASP A 89 4.254 -4.771 12.380 1.00 21.22 H new ATOM 0 HB3 ASP A 89 3.585 -3.288 11.729 1.00 21.22 H new ATOM 1332 N SER A 90 1.531 -1.742 13.383 1.00 50.32 N ATOM 1333 CA SER A 90 1.060 -0.370 13.687 1.00 43.12 C ATOM 1334 C SER A 90 -0.258 -0.058 12.947 1.00 11.51 C ATOM 1335 O SER A 90 -0.532 -0.611 11.875 1.00 1.43 O ATOM 1336 CB SER A 90 2.143 0.682 13.319 1.00 45.53 C ATOM 1337 OG SER A 90 1.712 2.012 13.605 1.00 1.42 O ATOM 0 H SER A 90 1.162 -2.113 12.507 1.00 50.32 H new ATOM 0 HA SER A 90 0.873 -0.316 14.759 1.00 43.12 H new ATOM 0 HB2 SER A 90 3.058 0.470 13.872 1.00 45.53 H new ATOM 0 HB3 SER A 90 2.385 0.599 12.259 1.00 45.53 H new ATOM 0 HG SER A 90 2.420 2.645 13.362 1.00 1.42 H new ATOM 1343 N ALA A 91 -1.071 0.835 13.532 1.00 74.32 N ATOM 1344 CA ALA A 91 -2.340 1.309 12.937 1.00 44.40 C ATOM 1345 C ALA A 91 -2.307 2.846 12.780 1.00 61.00 C ATOM 1346 O ALA A 91 -1.946 3.558 13.724 1.00 31.21 O ATOM 1347 CB ALA A 91 -3.522 0.870 13.820 1.00 50.41 C ATOM 0 H ALA A 91 -0.869 1.255 14.439 1.00 74.32 H new ATOM 0 HA ALA A 91 -2.466 0.869 11.948 1.00 44.40 H new ATOM 0 HB1 ALA A 91 -4.455 1.221 13.379 1.00 50.41 H new ATOM 0 HB2 ALA A 91 -3.540 -0.218 13.890 1.00 50.41 H new ATOM 0 HB3 ALA A 91 -3.409 1.296 14.817 1.00 50.41 H new ATOM 1353 N GLU A 92 -2.685 3.357 11.595 1.00 64.44 N ATOM 1354 CA GLU A 92 -2.621 4.808 11.297 1.00 60.52 C ATOM 1355 C GLU A 92 -3.813 5.279 10.453 1.00 44.25 C ATOM 1356 O GLU A 92 -4.257 4.587 9.540 1.00 23.24 O ATOM 1357 CB GLU A 92 -1.276 5.128 10.572 1.00 35.31 C ATOM 1358 CG GLU A 92 -1.018 6.625 10.282 1.00 40.03 C ATOM 1359 CD GLU A 92 -1.033 7.501 11.551 1.00 14.40 C ATOM 1360 OE1 GLU A 92 -0.029 7.502 12.297 1.00 43.25 O ATOM 1361 OE2 GLU A 92 -2.053 8.177 11.817 1.00 62.35 O ATOM 0 H GLU A 92 -3.039 2.790 10.824 1.00 64.44 H new ATOM 0 HA GLU A 92 -2.669 5.350 12.241 1.00 60.52 H new ATOM 0 HB2 GLU A 92 -0.456 4.747 11.180 1.00 35.31 H new ATOM 0 HB3 GLU A 92 -1.253 4.583 9.628 1.00 35.31 H new ATOM 0 HG2 GLU A 92 -0.053 6.731 9.786 1.00 40.03 H new ATOM 0 HG3 GLU A 92 -1.775 6.990 9.588 1.00 40.03 H new ATOM 1368 N LYS A 93 -4.326 6.476 10.772 1.00 45.13 N ATOM 1369 CA LYS A 93 -5.366 7.133 9.977 1.00 73.21 C ATOM 1370 C LYS A 93 -4.718 8.145 9.006 1.00 25.30 C ATOM 1371 O LYS A 93 -4.417 9.286 9.382 1.00 23.11 O ATOM 1372 CB LYS A 93 -6.394 7.841 10.895 1.00 25.11 C ATOM 1373 CG LYS A 93 -7.640 8.355 10.139 1.00 43.43 C ATOM 1374 CD LYS A 93 -8.497 7.198 9.574 1.00 42.31 C ATOM 1375 CE LYS A 93 -9.295 6.465 10.665 1.00 54.12 C ATOM 1376 NZ LYS A 93 -10.206 7.381 11.406 1.00 53.30 N ATOM 0 H LYS A 93 -4.030 7.013 11.587 1.00 45.13 H new ATOM 0 HA LYS A 93 -5.897 6.377 9.399 1.00 73.21 H new ATOM 0 HB2 LYS A 93 -6.711 7.148 11.675 1.00 25.11 H new ATOM 0 HB3 LYS A 93 -5.908 8.680 11.393 1.00 25.11 H new ATOM 0 HG2 LYS A 93 -8.247 8.960 10.812 1.00 43.43 H new ATOM 0 HG3 LYS A 93 -7.325 9.005 9.322 1.00 43.43 H new ATOM 0 HD2 LYS A 93 -9.187 7.593 8.828 1.00 42.31 H new ATOM 0 HD3 LYS A 93 -7.848 6.486 9.063 1.00 42.31 H new ATOM 0 HE2 LYS A 93 -9.878 5.664 10.210 1.00 54.12 H new ATOM 0 HE3 LYS A 93 -8.604 5.997 11.366 1.00 54.12 H new ATOM 0 HZ1 LYS A 93 -10.929 6.823 11.904 1.00 53.30 H new ATOM 0 HZ2 LYS A 93 -9.657 7.933 12.096 1.00 53.30 H new ATOM 0 HZ3 LYS A 93 -10.669 8.028 10.736 1.00 53.30 H new ATOM 1390 N THR A 94 -4.483 7.705 7.765 1.00 35.43 N ATOM 1391 CA THR A 94 -3.878 8.539 6.706 1.00 24.30 C ATOM 1392 C THR A 94 -4.615 8.340 5.365 1.00 4.42 C ATOM 1393 O THR A 94 -5.153 7.257 5.095 1.00 74.12 O ATOM 1394 CB THR A 94 -2.350 8.238 6.541 1.00 23.31 C ATOM 1395 OG1 THR A 94 -1.798 9.021 5.469 1.00 11.11 O ATOM 1396 CG2 THR A 94 -2.056 6.747 6.291 1.00 52.40 C ATOM 0 H THR A 94 -4.706 6.758 7.460 1.00 35.43 H new ATOM 0 HA THR A 94 -3.982 9.581 7.009 1.00 24.30 H new ATOM 0 HB THR A 94 -1.878 8.510 7.485 1.00 23.31 H new ATOM 0 HG1 THR A 94 -0.842 8.824 5.378 1.00 11.11 H new ATOM 0 HG21 THR A 94 -0.981 6.601 6.185 1.00 52.40 H new ATOM 0 HG22 THR A 94 -2.421 6.158 7.133 1.00 52.40 H new ATOM 0 HG23 THR A 94 -2.558 6.425 5.378 1.00 52.40 H new ATOM 1404 N THR A 95 -4.634 9.387 4.531 1.00 45.33 N ATOM 1405 CA THR A 95 -5.330 9.364 3.228 1.00 2.44 C ATOM 1406 C THR A 95 -4.426 8.695 2.175 1.00 64.20 C ATOM 1407 O THR A 95 -3.294 9.133 1.951 1.00 1.54 O ATOM 1408 CB THR A 95 -5.740 10.802 2.760 1.00 63.34 C ATOM 1409 OG1 THR A 95 -6.556 11.418 3.770 1.00 53.42 O ATOM 1410 CG2 THR A 95 -6.517 10.790 1.422 1.00 21.41 C ATOM 0 H THR A 95 -4.171 10.273 4.734 1.00 45.33 H new ATOM 0 HA THR A 95 -6.248 8.788 3.344 1.00 2.44 H new ATOM 0 HB THR A 95 -4.821 11.367 2.605 1.00 63.34 H new ATOM 0 HG1 THR A 95 -6.812 12.318 3.480 1.00 53.42 H new ATOM 0 HG21 THR A 95 -6.777 11.811 1.143 1.00 21.41 H new ATOM 0 HG22 THR A 95 -5.894 10.349 0.644 1.00 21.41 H new ATOM 0 HG23 THR A 95 -7.428 10.202 1.535 1.00 21.41 H new ATOM 1418 N VAL A 96 -4.946 7.652 1.511 1.00 5.14 N ATOM 1419 CA VAL A 96 -4.175 6.823 0.570 1.00 20.14 C ATOM 1420 C VAL A 96 -4.702 7.048 -0.866 1.00 33.23 C ATOM 1421 O VAL A 96 -5.911 7.056 -1.109 1.00 13.41 O ATOM 1422 CB VAL A 96 -4.228 5.290 0.957 1.00 1.24 C ATOM 1423 CG1 VAL A 96 -3.445 5.009 2.260 1.00 30.10 C ATOM 1424 CG2 VAL A 96 -5.690 4.775 1.088 1.00 44.21 C ATOM 0 H VAL A 96 -5.917 7.358 1.612 1.00 5.14 H new ATOM 0 HA VAL A 96 -3.129 7.126 0.622 1.00 20.14 H new ATOM 0 HB VAL A 96 -3.751 4.745 0.142 1.00 1.24 H new ATOM 0 HG11 VAL A 96 -3.502 3.947 2.497 1.00 30.10 H new ATOM 0 HG12 VAL A 96 -2.402 5.296 2.127 1.00 30.10 H new ATOM 0 HG13 VAL A 96 -3.878 5.586 3.077 1.00 30.10 H new ATOM 0 HG21 VAL A 96 -5.681 3.718 1.355 1.00 44.21 H new ATOM 0 HG22 VAL A 96 -6.207 5.341 1.863 1.00 44.21 H new ATOM 0 HG23 VAL A 96 -6.208 4.905 0.138 1.00 44.21 H new ATOM 1434 N TYR A 97 -3.783 7.259 -1.809 1.00 13.43 N ATOM 1435 CA TYR A 97 -4.110 7.552 -3.214 1.00 52.21 C ATOM 1436 C TYR A 97 -3.755 6.382 -4.145 1.00 24.50 C ATOM 1437 O TYR A 97 -2.718 5.725 -4.003 1.00 2.45 O ATOM 1438 CB TYR A 97 -3.389 8.844 -3.675 1.00 11.03 C ATOM 1439 CG TYR A 97 -3.909 10.111 -2.980 1.00 24.43 C ATOM 1440 CD1 TYR A 97 -5.056 10.760 -3.447 1.00 24.21 C ATOM 1441 CD2 TYR A 97 -3.277 10.650 -1.854 1.00 71.33 C ATOM 1442 CE1 TYR A 97 -5.549 11.890 -2.828 1.00 0.12 C ATOM 1443 CE2 TYR A 97 -3.773 11.781 -1.229 1.00 44.33 C ATOM 1444 CZ TYR A 97 -4.910 12.399 -1.720 1.00 51.42 C ATOM 1445 OH TYR A 97 -5.407 13.531 -1.099 1.00 14.20 O ATOM 0 H TYR A 97 -2.781 7.232 -1.622 1.00 13.43 H new ATOM 0 HA TYR A 97 -5.188 7.701 -3.274 1.00 52.21 H new ATOM 0 HB2 TYR A 97 -2.321 8.744 -3.482 1.00 11.03 H new ATOM 0 HB3 TYR A 97 -3.509 8.954 -4.753 1.00 11.03 H new ATOM 0 HD1 TYR A 97 -5.568 10.367 -4.313 1.00 24.21 H new ATOM 0 HD2 TYR A 97 -2.388 10.176 -1.466 1.00 71.33 H new ATOM 0 HE1 TYR A 97 -6.435 12.374 -3.212 1.00 0.12 H new ATOM 0 HE2 TYR A 97 -3.273 12.181 -0.359 1.00 44.33 H new ATOM 0 HH TYR A 97 -4.841 13.759 -0.332 1.00 14.20 H new ATOM 1455 N MET A 98 -4.658 6.138 -5.088 1.00 4.05 N ATOM 1456 CA MET A 98 -4.458 5.221 -6.207 1.00 61.32 C ATOM 1457 C MET A 98 -3.877 6.044 -7.386 1.00 52.13 C ATOM 1458 O MET A 98 -4.500 7.022 -7.799 1.00 64.21 O ATOM 1459 CB MET A 98 -5.828 4.585 -6.559 1.00 13.24 C ATOM 1460 CG MET A 98 -5.783 3.493 -7.617 1.00 12.30 C ATOM 1461 SD MET A 98 -7.400 2.749 -7.930 1.00 52.33 S ATOM 1462 CE MET A 98 -8.317 4.115 -8.641 1.00 42.11 C ATOM 0 H MET A 98 -5.575 6.584 -5.097 1.00 4.05 H new ATOM 0 HA MET A 98 -3.763 4.416 -5.969 1.00 61.32 H new ATOM 0 HB2 MET A 98 -6.262 4.170 -5.649 1.00 13.24 H new ATOM 0 HB3 MET A 98 -6.499 5.373 -6.901 1.00 13.24 H new ATOM 0 HG2 MET A 98 -5.395 3.910 -8.546 1.00 12.30 H new ATOM 0 HG3 MET A 98 -5.087 2.716 -7.301 1.00 12.30 H new ATOM 0 HE1 MET A 98 -9.054 4.472 -7.922 1.00 42.11 H new ATOM 0 HE2 MET A 98 -7.630 4.924 -8.889 1.00 42.11 H new ATOM 0 HE3 MET A 98 -8.825 3.780 -9.545 1.00 42.11 H new ATOM 1472 N VAL A 99 -2.664 5.695 -7.887 1.00 51.41 N ATOM 1473 CA VAL A 99 -1.928 6.535 -8.893 1.00 5.14 C ATOM 1474 C VAL A 99 -1.412 5.733 -10.126 1.00 4.34 C ATOM 1475 O VAL A 99 -1.315 4.509 -10.095 1.00 11.24 O ATOM 1476 CB VAL A 99 -0.708 7.296 -8.223 1.00 70.42 C ATOM 1477 CG1 VAL A 99 -1.181 8.323 -7.153 1.00 34.04 C ATOM 1478 CG2 VAL A 99 0.330 6.298 -7.627 1.00 13.12 C ATOM 0 H VAL A 99 -2.169 4.844 -7.618 1.00 51.41 H new ATOM 0 HA VAL A 99 -2.665 7.252 -9.256 1.00 5.14 H new ATOM 0 HB VAL A 99 -0.211 7.858 -9.014 1.00 70.42 H new ATOM 0 HG11 VAL A 99 -0.314 8.822 -6.719 1.00 34.04 H new ATOM 0 HG12 VAL A 99 -1.829 9.064 -7.621 1.00 34.04 H new ATOM 0 HG13 VAL A 99 -1.731 7.804 -6.368 1.00 34.04 H new ATOM 0 HG21 VAL A 99 1.152 6.854 -7.176 1.00 13.12 H new ATOM 0 HG22 VAL A 99 -0.152 5.683 -6.867 1.00 13.12 H new ATOM 0 HG23 VAL A 99 0.717 5.658 -8.420 1.00 13.12 H new ATOM 1488 N ASP A 100 -1.063 6.469 -11.207 1.00 23.24 N ATOM 1489 CA ASP A 100 -0.438 5.912 -12.430 1.00 64.22 C ATOM 1490 C ASP A 100 0.881 6.658 -12.757 1.00 64.23 C ATOM 1491 O ASP A 100 0.867 7.847 -13.056 1.00 11.22 O ATOM 1492 CB ASP A 100 -1.426 5.999 -13.627 1.00 42.30 C ATOM 1493 CG ASP A 100 -0.772 5.684 -14.990 1.00 32.55 C ATOM 1494 OD1 ASP A 100 -0.182 4.598 -15.156 1.00 51.43 O ATOM 1495 OD2 ASP A 100 -0.831 6.534 -15.902 1.00 11.25 O ATOM 0 H ASP A 100 -1.209 7.477 -11.255 1.00 23.24 H new ATOM 0 HA ASP A 100 -0.201 4.863 -12.251 1.00 64.22 H new ATOM 0 HB2 ASP A 100 -2.250 5.305 -13.459 1.00 42.30 H new ATOM 0 HB3 ASP A 100 -1.855 7.000 -13.662 1.00 42.30 H new ATOM 1500 N TYR A 101 2.001 5.928 -12.751 1.00 13.21 N ATOM 1501 CA TYR A 101 3.352 6.479 -13.007 1.00 61.30 C ATOM 1502 C TYR A 101 4.110 5.613 -14.033 1.00 43.02 C ATOM 1503 O TYR A 101 3.601 4.592 -14.505 1.00 2.05 O ATOM 1504 CB TYR A 101 4.158 6.565 -11.677 1.00 33.01 C ATOM 1505 CG TYR A 101 4.391 5.212 -10.968 1.00 51.02 C ATOM 1506 CD1 TYR A 101 3.448 4.689 -10.076 1.00 61.40 C ATOM 1507 CD2 TYR A 101 5.550 4.451 -11.195 1.00 60.21 C ATOM 1508 CE1 TYR A 101 3.650 3.477 -9.448 1.00 4.41 C ATOM 1509 CE2 TYR A 101 5.753 3.236 -10.565 1.00 0.11 C ATOM 1510 CZ TYR A 101 4.799 2.751 -9.694 1.00 71.24 C ATOM 1511 OH TYR A 101 4.993 1.538 -9.060 1.00 75.34 O ATOM 0 H TYR A 101 2.004 4.925 -12.567 1.00 13.21 H new ATOM 0 HA TYR A 101 3.241 7.482 -13.419 1.00 61.30 H new ATOM 0 HB2 TYR A 101 5.126 7.021 -11.885 1.00 33.01 H new ATOM 0 HB3 TYR A 101 3.632 7.231 -10.993 1.00 33.01 H new ATOM 0 HD1 TYR A 101 2.544 5.245 -9.875 1.00 61.40 H new ATOM 0 HD2 TYR A 101 6.300 4.823 -11.877 1.00 60.21 H new ATOM 0 HE1 TYR A 101 2.908 3.095 -8.763 1.00 4.41 H new ATOM 0 HE2 TYR A 101 6.653 2.670 -10.754 1.00 0.11 H new ATOM 0 HH TYR A 101 5.850 1.155 -9.342 1.00 75.34 H new ATOM 1521 N THR A 102 5.337 6.029 -14.372 1.00 33.12 N ATOM 1522 CA THR A 102 6.270 5.209 -15.173 1.00 71.32 C ATOM 1523 C THR A 102 7.491 4.843 -14.306 1.00 55.12 C ATOM 1524 O THR A 102 8.231 5.739 -13.876 1.00 41.14 O ATOM 1525 CB THR A 102 6.755 5.946 -16.471 1.00 64.23 C ATOM 1526 OG1 THR A 102 5.620 6.422 -17.212 1.00 22.32 O ATOM 1527 CG2 THR A 102 7.611 5.025 -17.372 1.00 72.10 C ATOM 0 H THR A 102 5.714 6.938 -14.103 1.00 33.12 H new ATOM 0 HA THR A 102 5.735 4.313 -15.489 1.00 71.32 H new ATOM 0 HB THR A 102 7.379 6.784 -16.161 1.00 64.23 H new ATOM 0 HG1 THR A 102 5.837 7.284 -17.624 1.00 22.32 H new ATOM 0 HG21 THR A 102 7.926 5.574 -18.259 1.00 72.10 H new ATOM 0 HG22 THR A 102 8.490 4.692 -16.821 1.00 72.10 H new ATOM 0 HG23 THR A 102 7.021 4.159 -17.672 1.00 72.10 H new ATOM 1535 N SER A 103 7.649 3.536 -14.013 1.00 51.41 N ATOM 1536 CA SER A 103 8.832 2.981 -13.309 1.00 53.50 C ATOM 1537 C SER A 103 10.136 3.358 -14.051 1.00 42.03 C ATOM 1538 O SER A 103 10.453 2.786 -15.089 1.00 21.34 O ATOM 1539 CB SER A 103 8.724 1.436 -13.171 1.00 32.32 C ATOM 1540 OG SER A 103 9.894 0.877 -12.583 1.00 21.44 O ATOM 0 H SER A 103 6.957 2.828 -14.258 1.00 51.41 H new ATOM 0 HA SER A 103 8.859 3.415 -12.310 1.00 53.50 H new ATOM 0 HB2 SER A 103 7.855 1.185 -12.562 1.00 32.32 H new ATOM 0 HB3 SER A 103 8.563 0.993 -14.154 1.00 32.32 H new ATOM 0 HG SER A 103 9.791 -0.095 -12.510 1.00 21.44 H new ATOM 1546 N THR A 104 10.859 4.343 -13.499 1.00 64.21 N ATOM 1547 CA THR A 104 12.073 4.940 -14.111 1.00 15.13 C ATOM 1548 C THR A 104 13.261 3.950 -14.225 1.00 74.31 C ATOM 1549 O THR A 104 14.199 4.193 -14.993 1.00 15.14 O ATOM 1550 CB THR A 104 12.532 6.196 -13.298 1.00 51.51 C ATOM 1551 OG1 THR A 104 12.812 5.814 -11.936 1.00 65.33 O ATOM 1552 CG2 THR A 104 11.458 7.306 -13.301 1.00 32.43 C ATOM 0 H THR A 104 10.619 4.760 -12.599 1.00 64.21 H new ATOM 0 HA THR A 104 11.787 5.221 -15.125 1.00 15.13 H new ATOM 0 HB THR A 104 13.429 6.590 -13.776 1.00 51.51 H new ATOM 0 HG1 THR A 104 11.971 5.620 -11.471 1.00 65.33 H new ATOM 0 HG21 THR A 104 11.816 8.160 -12.726 1.00 32.43 H new ATOM 0 HG22 THR A 104 11.259 7.617 -14.327 1.00 32.43 H new ATOM 0 HG23 THR A 104 10.540 6.925 -12.853 1.00 32.43 H new ATOM 1560 N THR A 105 13.225 2.841 -13.466 1.00 23.23 N ATOM 1561 CA THR A 105 14.274 1.793 -13.527 1.00 60.44 C ATOM 1562 C THR A 105 13.919 0.660 -14.526 1.00 73.23 C ATOM 1563 O THR A 105 14.818 -0.014 -15.036 1.00 15.05 O ATOM 1564 CB THR A 105 14.536 1.162 -12.120 1.00 44.31 C ATOM 1565 OG1 THR A 105 13.350 0.498 -11.643 1.00 44.20 O ATOM 1566 CG2 THR A 105 14.987 2.217 -11.090 1.00 74.13 C ATOM 0 H THR A 105 12.480 2.641 -12.799 1.00 23.23 H new ATOM 0 HA THR A 105 15.176 2.295 -13.876 1.00 60.44 H new ATOM 0 HB THR A 105 15.343 0.438 -12.235 1.00 44.31 H new ATOM 0 HG1 THR A 105 13.527 0.106 -10.763 1.00 44.20 H new ATOM 0 HG21 THR A 105 15.158 1.736 -10.127 1.00 74.13 H new ATOM 0 HG22 THR A 105 15.910 2.686 -11.430 1.00 74.13 H new ATOM 0 HG23 THR A 105 14.212 2.976 -10.984 1.00 74.13 H new ATOM 1574 N SER A 106 12.612 0.468 -14.805 1.00 65.43 N ATOM 1575 CA SER A 106 12.102 -0.706 -15.586 1.00 25.30 C ATOM 1576 C SER A 106 11.530 -0.314 -16.968 1.00 73.21 C ATOM 1577 O SER A 106 11.443 -1.158 -17.866 1.00 61.01 O ATOM 1578 CB SER A 106 11.011 -1.440 -14.756 1.00 21.22 C ATOM 1579 OG SER A 106 11.491 -1.778 -13.460 1.00 71.14 O ATOM 0 H SER A 106 11.878 1.109 -14.504 1.00 65.43 H new ATOM 0 HA SER A 106 12.952 -1.362 -15.773 1.00 25.30 H new ATOM 0 HB2 SER A 106 10.130 -0.805 -14.666 1.00 21.22 H new ATOM 0 HB3 SER A 106 10.700 -2.344 -15.279 1.00 21.22 H new ATOM 0 HG SER A 106 10.785 -2.237 -12.959 1.00 71.14 H new ATOM 1585 N GLY A 107 11.121 0.958 -17.126 1.00 2.42 N ATOM 1586 CA GLY A 107 10.402 1.421 -18.333 1.00 64.11 C ATOM 1587 C GLY A 107 8.886 1.142 -18.297 1.00 61.32 C ATOM 1588 O GLY A 107 8.133 1.674 -19.119 1.00 34.45 O ATOM 0 H GLY A 107 11.276 1.688 -16.431 1.00 2.42 H new ATOM 0 HA2 GLY A 107 10.562 2.493 -18.452 1.00 64.11 H new ATOM 0 HA3 GLY A 107 10.831 0.935 -19.209 1.00 64.11 H new ATOM 1592 N GLU A 108 8.448 0.305 -17.335 1.00 52.31 N ATOM 1593 CA GLU A 108 7.040 -0.126 -17.185 1.00 14.13 C ATOM 1594 C GLU A 108 6.137 1.006 -16.641 1.00 54.25 C ATOM 1595 O GLU A 108 6.450 1.616 -15.625 1.00 5.31 O ATOM 1596 CB GLU A 108 6.971 -1.351 -16.229 1.00 34.03 C ATOM 1597 CG GLU A 108 5.541 -1.859 -15.910 1.00 32.30 C ATOM 1598 CD GLU A 108 4.773 -2.363 -17.147 1.00 41.44 C ATOM 1599 OE1 GLU A 108 5.000 -3.518 -17.564 1.00 32.53 O ATOM 1600 OE2 GLU A 108 3.948 -1.614 -17.708 1.00 61.51 O ATOM 0 H GLU A 108 9.068 -0.096 -16.631 1.00 52.31 H new ATOM 0 HA GLU A 108 6.670 -0.395 -18.174 1.00 14.13 H new ATOM 0 HB2 GLU A 108 7.540 -2.169 -16.671 1.00 34.03 H new ATOM 0 HB3 GLU A 108 7.464 -1.089 -15.293 1.00 34.03 H new ATOM 0 HG2 GLU A 108 5.606 -2.666 -15.180 1.00 32.30 H new ATOM 0 HG3 GLU A 108 4.974 -1.053 -15.445 1.00 32.30 H new ATOM 1607 N LYS A 109 5.007 1.260 -17.322 1.00 42.01 N ATOM 1608 CA LYS A 109 3.953 2.167 -16.824 1.00 71.33 C ATOM 1609 C LYS A 109 3.002 1.407 -15.871 1.00 11.11 C ATOM 1610 O LYS A 109 2.257 0.522 -16.293 1.00 50.53 O ATOM 1611 CB LYS A 109 3.166 2.801 -18.001 1.00 55.30 C ATOM 1612 CG LYS A 109 4.009 3.772 -18.854 1.00 45.32 C ATOM 1613 CD LYS A 109 3.183 4.455 -19.967 1.00 31.34 C ATOM 1614 CE LYS A 109 3.978 5.549 -20.702 1.00 23.21 C ATOM 1615 NZ LYS A 109 4.374 6.658 -19.791 1.00 15.31 N ATOM 0 H LYS A 109 4.797 0.845 -18.230 1.00 42.01 H new ATOM 0 HA LYS A 109 4.427 2.976 -16.268 1.00 71.33 H new ATOM 0 HB2 LYS A 109 2.783 2.006 -18.641 1.00 55.30 H new ATOM 0 HB3 LYS A 109 2.302 3.335 -17.604 1.00 55.30 H new ATOM 0 HG2 LYS A 109 4.442 4.535 -18.208 1.00 45.32 H new ATOM 0 HG3 LYS A 109 4.839 3.227 -19.305 1.00 45.32 H new ATOM 0 HD2 LYS A 109 2.855 3.703 -20.685 1.00 31.34 H new ATOM 0 HD3 LYS A 109 2.285 4.893 -19.532 1.00 31.34 H new ATOM 0 HE2 LYS A 109 4.870 5.111 -21.149 1.00 23.21 H new ATOM 0 HE3 LYS A 109 3.376 5.948 -21.518 1.00 23.21 H new ATOM 0 HZ1 LYS A 109 4.848 7.405 -20.338 1.00 15.31 H new ATOM 0 HZ2 LYS A 109 3.527 7.050 -19.332 1.00 15.31 H new ATOM 0 HZ3 LYS A 109 5.025 6.295 -19.065 1.00 15.31 H new ATOM 1629 N VAL A 110 3.050 1.763 -14.582 1.00 11.44 N ATOM 1630 CA VAL A 110 2.266 1.106 -13.516 1.00 65.51 C ATOM 1631 C VAL A 110 1.035 1.960 -13.160 1.00 13.11 C ATOM 1632 O VAL A 110 1.175 3.081 -12.670 1.00 63.20 O ATOM 1633 CB VAL A 110 3.146 0.871 -12.239 1.00 73.05 C ATOM 1634 CG1 VAL A 110 2.328 0.232 -11.080 1.00 13.52 C ATOM 1635 CG2 VAL A 110 4.406 0.029 -12.579 1.00 4.30 C ATOM 0 H VAL A 110 3.639 2.523 -14.241 1.00 11.44 H new ATOM 0 HA VAL A 110 1.932 0.136 -13.886 1.00 65.51 H new ATOM 0 HB VAL A 110 3.481 1.847 -11.889 1.00 73.05 H new ATOM 0 HG11 VAL A 110 2.975 0.086 -10.215 1.00 13.52 H new ATOM 0 HG12 VAL A 110 1.504 0.892 -10.809 1.00 13.52 H new ATOM 0 HG13 VAL A 110 1.931 -0.731 -11.402 1.00 13.52 H new ATOM 0 HG21 VAL A 110 4.999 -0.119 -11.676 1.00 4.30 H new ATOM 0 HG22 VAL A 110 4.100 -0.939 -12.976 1.00 4.30 H new ATOM 0 HG23 VAL A 110 5.004 0.554 -13.324 1.00 4.30 H new ATOM 1645 N LYS A 111 -0.169 1.398 -13.370 1.00 21.54 N ATOM 1646 CA LYS A 111 -1.450 2.122 -13.180 1.00 45.31 C ATOM 1647 C LYS A 111 -2.265 1.538 -12.014 1.00 43.02 C ATOM 1648 O LYS A 111 -2.202 0.331 -11.741 1.00 23.11 O ATOM 1649 CB LYS A 111 -2.322 2.163 -14.479 1.00 62.12 C ATOM 1650 CG LYS A 111 -2.715 0.798 -15.095 1.00 5.41 C ATOM 1651 CD LYS A 111 -1.554 0.071 -15.810 1.00 45.34 C ATOM 1652 CE LYS A 111 -0.874 0.940 -16.885 1.00 13.31 C ATOM 1653 NZ LYS A 111 -1.836 1.452 -17.906 1.00 13.32 N ATOM 0 H LYS A 111 -0.287 0.432 -13.675 1.00 21.54 H new ATOM 0 HA LYS A 111 -1.177 3.149 -12.936 1.00 45.31 H new ATOM 0 HB2 LYS A 111 -3.237 2.713 -14.258 1.00 62.12 H new ATOM 0 HB3 LYS A 111 -1.782 2.734 -15.234 1.00 62.12 H new ATOM 0 HG2 LYS A 111 -3.102 0.153 -14.306 1.00 5.41 H new ATOM 0 HG3 LYS A 111 -3.526 0.953 -15.807 1.00 5.41 H new ATOM 0 HD2 LYS A 111 -0.812 -0.231 -15.071 1.00 45.34 H new ATOM 0 HD3 LYS A 111 -1.933 -0.840 -16.273 1.00 45.34 H new ATOM 0 HE2 LYS A 111 -0.378 1.783 -16.404 1.00 13.31 H new ATOM 0 HE3 LYS A 111 -0.100 0.356 -17.382 1.00 13.31 H new ATOM 0 HZ1 LYS A 111 -1.319 1.987 -18.632 1.00 13.32 H new ATOM 0 HZ2 LYS A 111 -2.329 0.651 -18.351 1.00 13.32 H new ATOM 0 HZ3 LYS A 111 -2.531 2.074 -17.447 1.00 13.32 H new ATOM 1667 N ASN A 112 -3.037 2.424 -11.350 1.00 13.31 N ATOM 1668 CA ASN A 112 -3.867 2.084 -10.173 1.00 12.31 C ATOM 1669 C ASN A 112 -3.033 1.434 -9.024 1.00 34.34 C ATOM 1670 O ASN A 112 -3.508 0.544 -8.314 1.00 43.00 O ATOM 1671 CB ASN A 112 -5.074 1.189 -10.602 1.00 75.21 C ATOM 1672 CG ASN A 112 -6.019 1.873 -11.603 1.00 43.22 C ATOM 1673 OD1 ASN A 112 -6.166 3.093 -11.617 1.00 21.12 O ATOM 1674 ND2 ASN A 112 -6.672 1.093 -12.442 1.00 43.01 N ATOM 0 H ASN A 112 -3.103 3.406 -11.618 1.00 13.31 H new ATOM 0 HA ASN A 112 -4.262 3.014 -9.764 1.00 12.31 H new ATOM 0 HB2 ASN A 112 -4.694 0.268 -11.044 1.00 75.21 H new ATOM 0 HB3 ASN A 112 -5.640 0.907 -9.714 1.00 75.21 H new ATOM 0 HD21 ASN A 112 -7.315 1.500 -13.121 1.00 43.01 H new ATOM 0 HD22 ASN A 112 -6.534 0.083 -12.412 1.00 43.01 H new ATOM 1681 N HIS A 113 -1.786 1.924 -8.855 1.00 62.44 N ATOM 1682 CA HIS A 113 -0.833 1.438 -7.833 1.00 62.30 C ATOM 1683 C HIS A 113 -1.365 1.659 -6.395 1.00 74.23 C ATOM 1684 O HIS A 113 -1.875 2.740 -6.065 1.00 71.04 O ATOM 1685 CB HIS A 113 0.538 2.131 -8.013 1.00 22.03 C ATOM 1686 CG HIS A 113 1.577 1.705 -6.998 1.00 53.12 C ATOM 1687 ND1 HIS A 113 2.216 0.493 -7.094 1.00 51.05 N ATOM 1688 CD2 HIS A 113 2.001 2.336 -5.872 1.00 3.53 C ATOM 1689 CE1 HIS A 113 3.000 0.414 -6.035 1.00 72.04 C ATOM 1690 NE2 HIS A 113 2.904 1.504 -5.266 1.00 40.32 N ATOM 0 H HIS A 113 -1.408 2.677 -9.431 1.00 62.44 H new ATOM 0 HA HIS A 113 -0.715 0.364 -7.975 1.00 62.30 H new ATOM 0 HB2 HIS A 113 0.913 1.918 -9.014 1.00 22.03 H new ATOM 0 HB3 HIS A 113 0.400 3.210 -7.947 1.00 22.03 H new ATOM 0 HD1 HIS A 113 2.107 -0.203 -7.832 1.00 51.05 H new ATOM 0 HD2 HIS A 113 1.686 3.308 -5.522 1.00 3.53 H new ATOM 0 HE1 HIS A 113 3.640 -0.428 -5.816 1.00 72.04 H new ATOM 1698 N LYS A 114 -1.226 0.613 -5.551 1.00 60.43 N ATOM 1699 CA LYS A 114 -1.762 0.589 -4.170 1.00 4.42 C ATOM 1700 C LYS A 114 -0.757 -0.086 -3.180 1.00 22.25 C ATOM 1701 O LYS A 114 -0.187 -1.124 -3.512 1.00 34.34 O ATOM 1702 CB LYS A 114 -3.117 -0.186 -4.143 1.00 32.33 C ATOM 1703 CG LYS A 114 -4.250 0.445 -4.983 1.00 53.51 C ATOM 1704 CD LYS A 114 -5.536 -0.406 -4.973 1.00 13.25 C ATOM 1705 CE LYS A 114 -6.655 0.198 -5.834 1.00 43.15 C ATOM 1706 NZ LYS A 114 -7.856 -0.663 -5.838 1.00 22.05 N ATOM 0 H LYS A 114 -0.736 -0.244 -5.809 1.00 60.43 H new ATOM 0 HA LYS A 114 -1.916 1.620 -3.851 1.00 4.42 H new ATOM 0 HB2 LYS A 114 -2.944 -1.201 -4.499 1.00 32.33 H new ATOM 0 HB3 LYS A 114 -3.453 -0.264 -3.109 1.00 32.33 H new ATOM 0 HG2 LYS A 114 -4.473 1.440 -4.597 1.00 53.51 H new ATOM 0 HG3 LYS A 114 -3.909 0.571 -6.011 1.00 53.51 H new ATOM 0 HD2 LYS A 114 -5.306 -1.408 -5.335 1.00 13.25 H new ATOM 0 HD3 LYS A 114 -5.889 -0.511 -3.947 1.00 13.25 H new ATOM 0 HE2 LYS A 114 -6.915 1.186 -5.455 1.00 43.15 H new ATOM 0 HE3 LYS A 114 -6.298 0.332 -6.855 1.00 43.15 H new ATOM 0 HZ1 LYS A 114 -8.593 -0.228 -6.428 1.00 22.05 H new ATOM 0 HZ2 LYS A 114 -7.612 -1.598 -6.223 1.00 22.05 H new ATOM 0 HZ3 LYS A 114 -8.209 -0.770 -4.866 1.00 22.05 H new ATOM 1720 N TRP A 115 -0.522 0.482 -1.964 1.00 65.20 N ATOM 1721 CA TRP A 115 -0.948 1.853 -1.561 1.00 63.34 C ATOM 1722 C TRP A 115 0.243 2.804 -1.307 1.00 22.01 C ATOM 1723 O TRP A 115 1.285 2.415 -0.770 1.00 53.41 O ATOM 1724 CB TRP A 115 -1.844 1.814 -0.288 1.00 62.43 C ATOM 1725 CG TRP A 115 -3.221 1.249 -0.518 1.00 4.20 C ATOM 1726 CD1 TRP A 115 -3.717 0.056 -0.076 1.00 52.20 C ATOM 1727 CD2 TRP A 115 -4.275 1.861 -1.278 1.00 44.14 C ATOM 1728 NE1 TRP A 115 -5.014 -0.088 -0.485 1.00 42.22 N ATOM 1729 CE2 TRP A 115 -5.376 0.993 -1.226 1.00 43.13 C ATOM 1730 CE3 TRP A 115 -4.395 3.068 -1.990 1.00 51.02 C ATOM 1731 CZ2 TRP A 115 -6.581 1.282 -1.858 1.00 71.40 C ATOM 1732 CZ3 TRP A 115 -5.593 3.354 -2.615 1.00 45.24 C ATOM 1733 CH2 TRP A 115 -6.671 2.461 -2.546 1.00 20.02 C ATOM 0 H TRP A 115 -0.022 -0.009 -1.223 1.00 65.20 H new ATOM 0 HA TRP A 115 -1.518 2.243 -2.404 1.00 63.34 H new ATOM 0 HB2 TRP A 115 -1.343 1.220 0.477 1.00 62.43 H new ATOM 0 HB3 TRP A 115 -1.940 2.826 0.106 1.00 62.43 H new ATOM 0 HD1 TRP A 115 -3.167 -0.666 0.509 1.00 52.20 H new ATOM 0 HE1 TRP A 115 -5.616 -0.882 -0.268 1.00 42.22 H new ATOM 0 HE3 TRP A 115 -3.566 3.758 -2.047 1.00 51.02 H new ATOM 0 HZ2 TRP A 115 -7.416 0.599 -1.807 1.00 71.40 H new ATOM 0 HZ3 TRP A 115 -5.700 4.278 -3.164 1.00 45.24 H new ATOM 0 HH2 TRP A 115 -7.594 2.709 -3.048 1.00 20.02 H new ATOM 1744 N VAL A 116 0.029 4.065 -1.707 1.00 65.30 N ATOM 1745 CA VAL A 116 0.868 5.222 -1.343 1.00 65.04 C ATOM 1746 C VAL A 116 -0.027 6.266 -0.652 1.00 5.33 C ATOM 1747 O VAL A 116 -1.204 6.373 -0.979 1.00 3.12 O ATOM 1748 CB VAL A 116 1.572 5.867 -2.599 1.00 43.32 C ATOM 1749 CG1 VAL A 116 2.634 4.911 -3.191 1.00 75.21 C ATOM 1750 CG2 VAL A 116 0.536 6.282 -3.683 1.00 24.42 C ATOM 0 H VAL A 116 -0.754 4.319 -2.310 1.00 65.30 H new ATOM 0 HA VAL A 116 1.660 4.882 -0.675 1.00 65.04 H new ATOM 0 HB VAL A 116 2.078 6.771 -2.262 1.00 43.32 H new ATOM 0 HG11 VAL A 116 3.104 5.380 -4.055 1.00 75.21 H new ATOM 0 HG12 VAL A 116 3.392 4.697 -2.437 1.00 75.21 H new ATOM 0 HG13 VAL A 116 2.156 3.981 -3.498 1.00 75.21 H new ATOM 0 HG21 VAL A 116 1.056 6.723 -4.534 1.00 24.42 H new ATOM 0 HG22 VAL A 116 -0.018 5.403 -4.012 1.00 24.42 H new ATOM 0 HG23 VAL A 116 -0.157 7.012 -3.264 1.00 24.42 H new ATOM 1760 N THR A 117 0.508 7.013 0.318 1.00 63.53 N ATOM 1761 CA THR A 117 -0.276 8.049 1.041 1.00 14.31 C ATOM 1762 C THR A 117 0.085 9.466 0.553 1.00 13.51 C ATOM 1763 O THR A 117 1.021 9.646 -0.235 1.00 5.42 O ATOM 1764 CB THR A 117 -0.053 7.973 2.592 1.00 42.25 C ATOM 1765 OG1 THR A 117 1.238 8.481 2.938 1.00 4.32 O ATOM 1766 CG2 THR A 117 -0.173 6.536 3.118 1.00 14.52 C ATOM 0 H THR A 117 1.476 6.929 0.628 1.00 63.53 H new ATOM 0 HA THR A 117 -1.325 7.847 0.825 1.00 14.31 H new ATOM 0 HB THR A 117 -0.832 8.581 3.053 1.00 42.25 H new ATOM 0 HG1 THR A 117 1.631 7.923 3.641 1.00 4.32 H new ATOM 0 HG21 THR A 117 -0.012 6.528 4.196 1.00 14.52 H new ATOM 0 HG22 THR A 117 -1.168 6.150 2.897 1.00 14.52 H new ATOM 0 HG23 THR A 117 0.575 5.908 2.635 1.00 14.52 H new ATOM 1774 N GLU A 118 -0.669 10.469 1.049 1.00 33.22 N ATOM 1775 CA GLU A 118 -0.359 11.911 0.855 1.00 10.40 C ATOM 1776 C GLU A 118 1.052 12.265 1.411 1.00 3.51 C ATOM 1777 O GLU A 118 1.736 13.154 0.895 1.00 34.14 O ATOM 1778 CB GLU A 118 -1.466 12.770 1.547 1.00 13.55 C ATOM 1779 CG GLU A 118 -1.326 14.307 1.413 1.00 42.53 C ATOM 1780 CD GLU A 118 -1.252 14.803 -0.049 1.00 14.11 C ATOM 1781 OE1 GLU A 118 -2.287 14.776 -0.752 1.00 11.13 O ATOM 1782 OE2 GLU A 118 -0.171 15.255 -0.488 1.00 71.13 O ATOM 0 H GLU A 118 -1.513 10.307 1.598 1.00 33.22 H new ATOM 0 HA GLU A 118 -0.347 12.132 -0.212 1.00 10.40 H new ATOM 0 HB2 GLU A 118 -2.433 12.477 1.137 1.00 13.55 H new ATOM 0 HB3 GLU A 118 -1.481 12.519 2.608 1.00 13.55 H new ATOM 0 HG2 GLU A 118 -2.173 14.784 1.906 1.00 42.53 H new ATOM 0 HG3 GLU A 118 -0.428 14.628 1.941 1.00 42.53 H new ATOM 1789 N ASP A 119 1.481 11.525 2.455 1.00 62.23 N ATOM 1790 CA ASP A 119 2.824 11.661 3.066 1.00 11.24 C ATOM 1791 C ASP A 119 3.948 11.220 2.088 1.00 21.45 C ATOM 1792 O ASP A 119 5.037 11.801 2.070 1.00 70.21 O ATOM 1793 CB ASP A 119 2.865 10.814 4.362 1.00 43.40 C ATOM 1794 CG ASP A 119 4.191 10.911 5.123 1.00 65.23 C ATOM 1795 OD1 ASP A 119 4.385 11.878 5.889 1.00 0.42 O ATOM 1796 OD2 ASP A 119 5.055 10.027 4.954 1.00 21.21 O ATOM 0 H ASP A 119 0.904 10.812 2.901 1.00 62.23 H new ATOM 0 HA ASP A 119 3.002 12.711 3.299 1.00 11.24 H new ATOM 0 HB2 ASP A 119 2.056 11.133 5.019 1.00 43.40 H new ATOM 0 HB3 ASP A 119 2.678 9.770 4.109 1.00 43.40 H new ATOM 1801 N GLU A 120 3.660 10.198 1.272 1.00 73.15 N ATOM 1802 CA GLU A 120 4.641 9.613 0.331 1.00 14.04 C ATOM 1803 C GLU A 120 4.572 10.260 -1.073 1.00 73.54 C ATOM 1804 O GLU A 120 5.388 9.936 -1.951 1.00 64.42 O ATOM 1805 CB GLU A 120 4.422 8.078 0.243 1.00 70.55 C ATOM 1806 CG GLU A 120 4.866 7.293 1.522 1.00 10.32 C ATOM 1807 CD GLU A 120 3.748 6.492 2.186 1.00 1.10 C ATOM 1808 OE1 GLU A 120 3.061 5.727 1.479 1.00 61.14 O ATOM 1809 OE2 GLU A 120 3.541 6.634 3.410 1.00 74.03 O ATOM 0 H GLU A 120 2.744 9.750 1.241 1.00 73.15 H new ATOM 0 HA GLU A 120 5.639 9.819 0.717 1.00 14.04 H new ATOM 0 HB2 GLU A 120 3.366 7.883 0.059 1.00 70.55 H new ATOM 0 HB3 GLU A 120 4.972 7.692 -0.616 1.00 70.55 H new ATOM 0 HG2 GLU A 120 5.675 6.613 1.255 1.00 10.32 H new ATOM 0 HG3 GLU A 120 5.270 8.000 2.246 1.00 10.32 H new ATOM 1816 N LEU A 121 3.619 11.189 -1.271 1.00 22.02 N ATOM 1817 CA LEU A 121 3.414 11.890 -2.553 1.00 2.34 C ATOM 1818 C LEU A 121 3.619 13.409 -2.371 1.00 13.05 C ATOM 1819 O LEU A 121 3.263 13.974 -1.338 1.00 2.32 O ATOM 1820 CB LEU A 121 1.983 11.617 -3.094 1.00 70.11 C ATOM 1821 CG LEU A 121 1.621 10.141 -3.455 1.00 62.53 C ATOM 1822 CD1 LEU A 121 0.146 10.035 -3.915 1.00 1.45 C ATOM 1823 CD2 LEU A 121 2.582 9.572 -4.519 1.00 55.24 C ATOM 0 H LEU A 121 2.966 11.476 -0.542 1.00 22.02 H new ATOM 0 HA LEU A 121 4.144 11.515 -3.271 1.00 2.34 H new ATOM 0 HB2 LEU A 121 1.269 11.966 -2.349 1.00 70.11 H new ATOM 0 HB3 LEU A 121 1.838 12.227 -3.985 1.00 70.11 H new ATOM 0 HG LEU A 121 1.737 9.537 -2.555 1.00 62.53 H new ATOM 0 HD11 LEU A 121 -0.085 8.999 -4.161 1.00 1.45 H new ATOM 0 HD12 LEU A 121 -0.510 10.372 -3.113 1.00 1.45 H new ATOM 0 HD13 LEU A 121 -0.006 10.660 -4.795 1.00 1.45 H new ATOM 0 HD21 LEU A 121 2.303 8.543 -4.748 1.00 55.24 H new ATOM 0 HD22 LEU A 121 2.520 10.175 -5.425 1.00 55.24 H new ATOM 0 HD23 LEU A 121 3.603 9.595 -4.137 1.00 55.24 H new ATOM 1835 N SER A 122 4.191 14.047 -3.384 1.00 74.22 N ATOM 1836 CA SER A 122 4.343 15.516 -3.451 1.00 71.23 C ATOM 1837 C SER A 122 3.652 16.017 -4.724 1.00 23.23 C ATOM 1838 O SER A 122 3.586 15.290 -5.705 1.00 2.23 O ATOM 1839 CB SER A 122 5.848 15.915 -3.462 1.00 25.22 C ATOM 1840 OG SER A 122 6.524 15.481 -2.293 1.00 62.32 O ATOM 0 H SER A 122 4.571 13.564 -4.198 1.00 74.22 H new ATOM 0 HA SER A 122 3.885 15.971 -2.573 1.00 71.23 H new ATOM 0 HB2 SER A 122 6.330 15.485 -4.340 1.00 25.22 H new ATOM 0 HB3 SER A 122 5.935 16.998 -3.549 1.00 25.22 H new ATOM 0 HG SER A 122 7.465 15.750 -2.341 1.00 62.32 H new ATOM 1846 N ALA A 123 3.123 17.246 -4.699 1.00 42.01 N ATOM 1847 CA ALA A 123 2.549 17.891 -5.905 1.00 15.14 C ATOM 1848 C ALA A 123 3.651 18.219 -6.946 1.00 12.15 C ATOM 1849 O ALA A 123 4.848 18.059 -6.654 1.00 15.31 O ATOM 1850 CB ALA A 123 1.774 19.155 -5.510 1.00 41.23 C ATOM 0 H ALA A 123 3.077 17.822 -3.859 1.00 42.01 H new ATOM 0 HA ALA A 123 1.857 17.190 -6.371 1.00 15.14 H new ATOM 0 HB1 ALA A 123 1.357 19.620 -6.403 1.00 41.23 H new ATOM 0 HB2 ALA A 123 0.966 18.888 -4.829 1.00 41.23 H new ATOM 0 HB3 ALA A 123 2.448 19.856 -5.017 1.00 41.23 H new ATOM 1856 N LYS A 124 3.248 18.635 -8.169 1.00 43.05 N ATOM 1857 CA LYS A 124 4.203 19.094 -9.212 1.00 65.43 C ATOM 1858 C LYS A 124 4.992 20.338 -8.717 1.00 34.31 C ATOM 1859 O LYS A 124 4.581 21.489 -8.912 1.00 71.22 O ATOM 1860 CB LYS A 124 3.462 19.383 -10.547 1.00 65.12 C ATOM 1861 CG LYS A 124 4.353 19.870 -11.720 1.00 52.40 C ATOM 1862 CD LYS A 124 5.375 18.805 -12.193 1.00 4.44 C ATOM 1863 CE LYS A 124 6.264 19.317 -13.344 1.00 41.15 C ATOM 1864 NZ LYS A 124 7.153 18.259 -13.882 1.00 51.11 N ATOM 0 H LYS A 124 2.271 18.663 -8.460 1.00 43.05 H new ATOM 0 HA LYS A 124 4.922 18.297 -9.401 1.00 65.43 H new ATOM 0 HB2 LYS A 124 2.947 18.474 -10.859 1.00 65.12 H new ATOM 0 HB3 LYS A 124 2.696 20.136 -10.360 1.00 65.12 H new ATOM 0 HG2 LYS A 124 3.716 20.151 -12.559 1.00 52.40 H new ATOM 0 HG3 LYS A 124 4.889 20.768 -11.412 1.00 52.40 H new ATOM 0 HD2 LYS A 124 6.005 18.511 -11.353 1.00 4.44 H new ATOM 0 HD3 LYS A 124 4.841 17.912 -12.519 1.00 4.44 H new ATOM 0 HE2 LYS A 124 5.632 19.700 -14.145 1.00 41.15 H new ATOM 0 HE3 LYS A 124 6.869 20.151 -12.989 1.00 41.15 H new ATOM 0 HZ1 LYS A 124 7.458 18.517 -14.842 1.00 51.11 H new ATOM 0 HZ2 LYS A 124 7.987 18.161 -13.268 1.00 51.11 H new ATOM 0 HZ3 LYS A 124 6.638 17.356 -13.914 1.00 51.11 H new