USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 874 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 2 ASN : amide:sc= -4.37! C(o=-8.3!,f=-11!) USER MOD Set 1.2: A 7 ASN : amide:sc= -4.79! C(o=-8.3!,f=-15!) USER MOD Set 1.3: A 113 THR OG1 : rot -36:sc= 0.854 USER MOD Set 2.1: A 89 GLN : amide:sc= -8.42! C(o=-8.4!,f=-9.9!) USER MOD Set 2.2: A 96 SER OG : rot 180:sc= -0.0212 USER MOD Set 3.1: A 61 LYS NZ :NH3+ -173:sc= 1.4 (180deg=-0.17) USER MOD Set 3.2: A 73 CYS SG : rot 180:sc= 1.08 USER MOD Set 4.1: A 8 GLN :FLIP amide:sc= -0.515 F(o=-5.4,f=-2.4) USER MOD Set 4.2: A 9 GLN : amide:sc= -1.93! C(o=-2.4!,f=-4.1!) USER MOD Single : A 3 THR OG1 : rot -116:sc= 0.505 USER MOD Single : A 10 LYS NZ :NH3+ -140:sc= 1.08 (180deg=-1.19) USER MOD Single : A 15 SER OG : rot 37:sc=-0.00456 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 34 MET CE :methyl -144:sc= -1.01 (180deg=-2.92!) USER MOD Single : A 36 SER OG : rot 27:sc= 0.295 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 7:sc= -1.22 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot -120:sc= -0.252 USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0106 USER MOD Single : A 54 LYS NZ :NH3+ -145:sc= -3.98! (180deg=-8.09!) USER MOD Single : A 57 SER OG : rot 93:sc= 1.28 USER MOD Single : A 58 HIS : no HD1:sc= -0.428 K(o=-0.43,f=-1.1) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -12:sc= -0.216 USER MOD Single : A 66 SER OG : rot 79:sc= 0.00113 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0393) USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0766) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.658 F(o=-3.5!,f=-0.66) USER MOD Single : A 87 GLN :FLIP amide:sc= -0.0247 F(o=-2.3!,f=-0.025) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 93 MET CE :methyl -154:sc= 0 (180deg=-1.18) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -140:sc= -9.76! (180deg=-14.8!) USER MOD Single : A 103 HIS : no HD1:sc= -1.92! C(o=-1.9!,f=-4.6!) USER MOD Single : A 105 THR OG1 : rot 27:sc= 1.46 USER MOD Single : A 109 TYR OH : rot 180:sc= -0.127 USER MOD Single : A 111 SER OG : rot 84:sc= 1.03 USER MOD Single : A 114 ASN : amide:sc= -0.968 X(o=-0.97,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 18 N ASN A 2 -1.617 4.984 7.493 1.00 0.00 N ATOM 19 CA ASN A 2 -2.419 5.825 6.634 1.00 0.00 C ATOM 20 C ASN A 2 -3.481 6.509 7.508 1.00 0.00 C ATOM 21 O ASN A 2 -4.596 6.056 7.633 1.00 0.00 O ATOM 22 CB ASN A 2 -3.016 4.990 5.451 1.00 0.00 C ATOM 23 CG ASN A 2 -3.846 3.792 5.867 1.00 0.00 C ATOM 24 OD1 ASN A 2 -3.645 3.236 6.922 1.00 0.00 O ATOM 25 ND2 ASN A 2 -4.743 3.357 5.017 1.00 0.00 N ATOM 0 HA ASN A 2 -1.819 6.602 6.161 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.634 5.646 4.839 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.197 4.644 4.821 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.295 2.528 5.237 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.890 3.848 4.135 1.00 0.00 H new ATOM 32 N THR A 3 -3.088 7.601 8.142 1.00 0.00 N ATOM 33 CA THR A 3 -3.864 8.204 9.217 1.00 0.00 C ATOM 34 C THR A 3 -4.739 9.419 8.782 1.00 0.00 C ATOM 35 O THR A 3 -4.996 9.655 7.572 1.00 0.00 O ATOM 36 CB THR A 3 -2.881 8.587 10.373 1.00 0.00 C ATOM 37 OG1 THR A 3 -3.586 8.976 11.559 1.00 0.00 O ATOM 38 CG2 THR A 3 -1.941 9.706 9.946 1.00 0.00 C ATOM 0 H THR A 3 -2.222 8.096 7.927 1.00 0.00 H new ATOM 0 HA THR A 3 -4.591 7.465 9.554 1.00 0.00 H new ATOM 0 HB THR A 3 -2.294 7.697 10.597 1.00 0.00 H new ATOM 0 HG1 THR A 3 -3.395 9.916 11.760 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.270 9.951 10.769 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.356 9.381 9.085 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.523 10.588 9.678 1.00 0.00 H new ATOM 46 N ASP A 4 -5.198 10.159 9.800 1.00 0.00 N ATOM 47 CA ASP A 4 -6.063 11.343 9.723 1.00 0.00 C ATOM 48 C ASP A 4 -5.312 12.498 9.073 1.00 0.00 C ATOM 49 O ASP A 4 -4.668 13.304 9.744 1.00 0.00 O ATOM 50 CB ASP A 4 -6.526 11.742 11.134 1.00 0.00 C ATOM 51 CG ASP A 4 -7.499 12.908 11.171 1.00 0.00 C ATOM 52 OD1 ASP A 4 -7.071 14.089 11.159 1.00 0.00 O ATOM 53 OD2 ASP A 4 -8.716 12.662 11.256 1.00 0.00 O ATOM 0 H ASP A 4 -4.958 9.930 10.765 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.936 11.107 9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.995 10.879 11.607 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.651 11.996 11.732 1.00 0.00 H new ATOM 58 N VAL A 5 -5.270 12.463 7.754 1.00 0.00 N ATOM 59 CA VAL A 5 -4.602 13.430 6.913 1.00 0.00 C ATOM 60 C VAL A 5 -4.829 12.989 5.485 1.00 0.00 C ATOM 61 O VAL A 5 -5.112 13.771 4.586 1.00 0.00 O ATOM 62 CB VAL A 5 -3.062 13.513 7.196 1.00 0.00 C ATOM 63 CG1 VAL A 5 -2.365 12.163 7.051 1.00 0.00 C ATOM 64 CG2 VAL A 5 -2.411 14.548 6.297 1.00 0.00 C ATOM 0 H VAL A 5 -5.723 11.723 7.218 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.006 14.422 7.112 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.946 13.819 8.236 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.301 12.279 7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.797 11.453 7.756 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.499 11.792 6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.342 14.592 6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.565 14.272 5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.858 15.525 6.483 1.00 0.00 H new ATOM 74 N LEU A 6 -4.769 11.694 5.306 1.00 0.00 N ATOM 75 CA LEU A 6 -4.886 11.125 4.022 1.00 0.00 C ATOM 76 C LEU A 6 -6.011 10.139 3.956 1.00 0.00 C ATOM 77 O LEU A 6 -6.700 10.110 2.979 1.00 0.00 O ATOM 78 CB LEU A 6 -3.543 10.491 3.651 1.00 0.00 C ATOM 79 CG LEU A 6 -3.017 9.402 4.602 1.00 0.00 C ATOM 80 CD1 LEU A 6 -3.574 8.046 4.265 1.00 0.00 C ATOM 81 CD2 LEU A 6 -1.502 9.383 4.686 1.00 0.00 C ATOM 0 H LEU A 6 -4.637 11.018 6.059 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.129 11.902 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.632 10.060 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.796 11.283 3.591 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.379 9.663 5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.177 7.307 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.661 8.070 4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.288 7.778 3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.185 8.596 5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.085 9.193 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.146 10.346 5.051 1.00 0.00 H new ATOM 93 N ASN A 7 -6.164 9.288 4.955 1.00 0.00 N ATOM 94 CA ASN A 7 -7.173 8.271 4.819 1.00 0.00 C ATOM 95 C ASN A 7 -8.558 8.843 4.846 1.00 0.00 C ATOM 96 O ASN A 7 -9.154 8.995 3.844 1.00 0.00 O ATOM 97 CB ASN A 7 -6.940 7.080 5.718 1.00 0.00 C ATOM 98 CG ASN A 7 -7.405 5.797 5.041 1.00 0.00 C ATOM 99 OD1 ASN A 7 -8.469 5.269 5.308 1.00 0.00 O ATOM 100 ND2 ASN A 7 -6.646 5.330 4.078 1.00 0.00 N ATOM 0 H ASN A 7 -5.630 9.281 5.824 1.00 0.00 H new ATOM 0 HA ASN A 7 -7.076 7.848 3.819 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.881 7.005 5.963 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.476 7.216 6.657 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.945 4.515 3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.757 5.782 3.865 1.00 0.00 H new ATOM 107 N GLN A 8 -8.955 9.432 5.881 1.00 0.00 N ATOM 108 CA GLN A 8 -10.272 9.997 5.927 1.00 0.00 C ATOM 109 C GLN A 8 -10.396 11.215 5.008 1.00 0.00 C ATOM 110 O GLN A 8 -11.456 11.515 4.520 1.00 0.00 O ATOM 111 CB GLN A 8 -10.748 10.211 7.366 1.00 0.00 C ATOM 112 CG GLN A 8 -9.707 10.757 8.333 1.00 0.00 C ATOM 113 CD GLN A 8 -9.205 12.131 7.947 1.00 0.00 C ATOM 114 OE1 GLN A 8 -8.071 12.184 7.267 1.00 0.00 O flip ATOM 115 NE2 GLN A 8 -9.796 13.142 8.296 1.00 0.00 N flip ATOM 0 H GLN A 8 -8.403 9.551 6.730 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.976 9.273 5.516 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.596 10.895 7.350 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.113 9.260 7.753 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.137 10.801 9.334 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.864 10.068 8.378 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.668 13.068 8.819 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.417 14.060 8.064 1.00 0.00 H new ATOM 124 N GLN A 9 -9.294 11.897 4.730 1.00 0.00 N ATOM 125 CA GLN A 9 -9.334 12.930 3.752 1.00 0.00 C ATOM 126 C GLN A 9 -9.336 12.395 2.320 1.00 0.00 C ATOM 127 O GLN A 9 -10.395 12.255 1.735 1.00 0.00 O ATOM 128 CB GLN A 9 -8.291 13.998 4.018 1.00 0.00 C ATOM 129 CG GLN A 9 -8.678 14.889 5.181 1.00 0.00 C ATOM 130 CD GLN A 9 -7.544 15.730 5.688 1.00 0.00 C ATOM 131 OE1 GLN A 9 -6.825 15.307 6.577 1.00 0.00 O ATOM 132 NE2 GLN A 9 -7.366 16.904 5.138 1.00 0.00 N ATOM 0 H GLN A 9 -8.386 11.745 5.168 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.297 13.431 3.852 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -7.332 13.524 4.227 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.158 14.606 3.123 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.495 15.541 4.874 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.054 14.269 5.995 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.991 17.220 4.396 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.602 17.503 5.451 1.00 0.00 H new ATOM 141 N LYS A 10 -8.181 11.941 1.834 1.00 0.00 N ATOM 142 CA LYS A 10 -8.012 11.519 0.436 1.00 0.00 C ATOM 143 C LYS A 10 -8.711 10.201 0.151 1.00 0.00 C ATOM 144 O LYS A 10 -9.044 9.914 -0.980 1.00 0.00 O ATOM 145 CB LYS A 10 -6.531 11.367 0.032 1.00 0.00 C ATOM 146 CG LYS A 10 -5.770 12.608 -0.472 1.00 0.00 C ATOM 147 CD LYS A 10 -5.335 13.585 0.615 1.00 0.00 C ATOM 148 CE LYS A 10 -6.469 14.421 1.167 1.00 0.00 C ATOM 149 NZ LYS A 10 -7.074 15.326 0.164 1.00 0.00 N ATOM 0 H LYS A 10 -7.334 11.854 2.395 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.464 12.317 -0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.992 10.977 0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.478 10.607 -0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.886 12.277 -1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.402 13.139 -1.184 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.876 13.027 1.431 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.569 14.248 0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.240 13.759 1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.100 15.013 2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.286 16.243 0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.408 15.467 -0.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.953 14.905 -0.198 1.00 0.00 H new ATOM 163 N ILE A 11 -8.981 9.423 1.168 1.00 0.00 N ATOM 164 CA ILE A 11 -9.599 8.162 0.959 1.00 0.00 C ATOM 165 C ILE A 11 -11.061 8.325 0.951 1.00 0.00 C ATOM 166 O ILE A 11 -11.684 7.829 0.084 1.00 0.00 O ATOM 167 CB ILE A 11 -9.115 7.049 1.972 1.00 0.00 C ATOM 168 CG1 ILE A 11 -8.569 5.876 1.262 1.00 0.00 C ATOM 169 CG2 ILE A 11 -10.236 6.545 2.931 1.00 0.00 C ATOM 170 CD1 ILE A 11 -9.663 5.140 0.621 1.00 0.00 C ATOM 0 H ILE A 11 -8.779 9.650 2.142 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.284 7.794 -0.017 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.344 7.536 2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.844 6.196 0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.041 5.228 1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.830 5.783 3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.612 7.380 3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.051 6.119 2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.260 4.274 0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.372 4.808 1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.172 5.791 -0.090 1.00 0.00 H new ATOM 182 N GLU A 12 -11.602 9.083 1.862 1.00 0.00 N ATOM 183 CA GLU A 12 -13.024 9.151 1.951 1.00 0.00 C ATOM 184 C GLU A 12 -13.551 9.943 0.741 1.00 0.00 C ATOM 185 O GLU A 12 -14.637 9.672 0.234 1.00 0.00 O ATOM 186 CB GLU A 12 -13.313 9.783 3.293 1.00 0.00 C ATOM 187 CG GLU A 12 -14.635 9.493 3.960 1.00 0.00 C ATOM 188 CD GLU A 12 -15.817 10.119 3.273 1.00 0.00 C ATOM 189 OE1 GLU A 12 -15.973 11.352 3.371 1.00 0.00 O ATOM 190 OE2 GLU A 12 -16.626 9.401 2.663 1.00 0.00 O ATOM 0 H GLU A 12 -11.090 9.649 2.538 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.529 8.186 1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.523 9.478 3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.233 10.863 3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.781 8.414 4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.596 9.848 4.990 1.00 0.00 H new ATOM 197 N GLU A 13 -12.705 10.838 0.230 1.00 0.00 N ATOM 198 CA GLU A 13 -13.039 11.689 -0.902 1.00 0.00 C ATOM 199 C GLU A 13 -12.769 10.981 -2.251 1.00 0.00 C ATOM 200 O GLU A 13 -13.547 11.128 -3.191 1.00 0.00 O ATOM 201 CB GLU A 13 -12.267 12.999 -0.841 1.00 0.00 C ATOM 202 CG GLU A 13 -10.803 12.863 -1.165 1.00 0.00 C ATOM 203 CD GLU A 13 -10.065 14.177 -1.189 1.00 0.00 C ATOM 204 OE1 GLU A 13 -9.546 14.603 -0.142 1.00 0.00 O ATOM 205 OE2 GLU A 13 -9.967 14.797 -2.262 1.00 0.00 O ATOM 0 H GLU A 13 -11.765 10.990 0.595 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.106 11.902 -0.839 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.718 13.707 -1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.370 13.423 0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.336 12.207 -0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.698 12.379 -2.136 1.00 0.00 H new ATOM 212 N LEU A 14 -11.671 10.220 -2.350 1.00 0.00 N ATOM 213 CA LEU A 14 -11.360 9.516 -3.593 1.00 0.00 C ATOM 214 C LEU A 14 -12.109 8.225 -3.643 1.00 0.00 C ATOM 215 O LEU A 14 -12.367 7.708 -4.716 1.00 0.00 O ATOM 216 CB LEU A 14 -9.858 9.274 -3.831 1.00 0.00 C ATOM 217 CG LEU A 14 -9.077 10.315 -4.657 1.00 0.00 C ATOM 218 CD1 LEU A 14 -9.631 10.414 -6.073 1.00 0.00 C ATOM 219 CD2 LEU A 14 -9.067 11.681 -3.996 1.00 0.00 C ATOM 0 H LEU A 14 -10.997 10.080 -1.598 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.679 10.175 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.375 9.191 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.750 8.308 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.045 9.969 -4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.063 11.155 -6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.549 9.445 -6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.678 10.713 -6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.505 12.381 -4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.091 12.038 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.598 11.607 -3.015 1.00 0.00 H new ATOM 231 N SER A 15 -12.245 7.588 -2.498 1.00 0.00 N ATOM 232 CA SER A 15 -13.220 6.543 -2.393 1.00 0.00 C ATOM 233 C SER A 15 -14.596 7.110 -2.754 1.00 0.00 C ATOM 234 O SER A 15 -14.857 7.265 -3.927 1.00 0.00 O ATOM 235 CB SER A 15 -13.170 5.792 -1.053 1.00 0.00 C ATOM 236 OG SER A 15 -12.234 4.741 -1.115 1.00 0.00 O ATOM 0 H SER A 15 -11.705 7.774 -1.653 1.00 0.00 H new ATOM 0 HA SER A 15 -12.982 5.761 -3.114 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.901 6.481 -0.252 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.157 5.395 -0.814 1.00 0.00 H new ATOM 0 HG SER A 15 -11.465 5.019 -1.655 1.00 0.00 H new ATOM 242 N ALA A 16 -15.460 7.422 -1.797 1.00 0.00 N ATOM 243 CA ALA A 16 -16.736 8.074 -2.136 1.00 0.00 C ATOM 244 C ALA A 16 -17.496 7.348 -3.286 1.00 0.00 C ATOM 245 O ALA A 16 -17.582 6.128 -3.316 1.00 0.00 O ATOM 246 CB ALA A 16 -16.425 9.516 -2.514 1.00 0.00 C ATOM 0 H ALA A 16 -15.315 7.244 -0.803 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.401 8.030 -1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.350 10.032 -2.772 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.952 10.019 -1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.750 9.530 -3.370 1.00 0.00 H new ATOM 252 N GLU A 17 -18.001 8.128 -4.243 1.00 0.00 N ATOM 253 CA GLU A 17 -18.697 7.623 -5.447 1.00 0.00 C ATOM 254 C GLU A 17 -17.755 6.872 -6.384 1.00 0.00 C ATOM 255 O GLU A 17 -18.177 6.304 -7.403 1.00 0.00 O ATOM 256 CB GLU A 17 -19.289 8.766 -6.227 1.00 0.00 C ATOM 257 CG GLU A 17 -20.375 9.523 -5.508 1.00 0.00 C ATOM 258 CD GLU A 17 -20.939 10.623 -6.361 1.00 0.00 C ATOM 259 OE1 GLU A 17 -21.722 10.326 -7.279 1.00 0.00 O ATOM 260 OE2 GLU A 17 -20.591 11.802 -6.139 1.00 0.00 O ATOM 0 H GLU A 17 -17.942 9.146 -4.211 1.00 0.00 H new ATOM 0 HA GLU A 17 -19.472 6.944 -5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.491 9.462 -6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.693 8.379 -7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.172 8.836 -5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.976 9.945 -4.586 1.00 0.00 H new ATOM 267 N ILE A 18 -16.505 6.887 -6.044 1.00 0.00 N ATOM 268 CA ILE A 18 -15.506 6.168 -6.742 1.00 0.00 C ATOM 269 C ILE A 18 -15.039 4.957 -5.964 1.00 0.00 C ATOM 270 O ILE A 18 -15.740 3.941 -6.024 1.00 0.00 O ATOM 271 CB ILE A 18 -14.450 7.049 -7.502 1.00 0.00 C ATOM 272 CG1 ILE A 18 -13.119 6.327 -7.772 1.00 0.00 C ATOM 273 CG2 ILE A 18 -14.269 8.433 -6.888 1.00 0.00 C ATOM 274 CD1 ILE A 18 -12.113 7.129 -8.572 1.00 0.00 C ATOM 0 H ILE A 18 -16.149 7.418 -5.249 1.00 0.00 H new ATOM 0 HA ILE A 18 -15.967 5.717 -7.621 1.00 0.00 H new ATOM 0 HB ILE A 18 -14.883 7.219 -8.488 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.669 6.055 -6.817 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -13.327 5.398 -8.303 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.527 8.990 -7.459 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.219 8.967 -6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.932 8.332 -5.856 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.207 6.540 -8.712 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -12.538 7.379 -9.544 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.870 8.046 -8.036 1.00 0.00 H new ATOM 286 N GLY A 19 -13.927 4.928 -5.237 1.00 0.00 N ATOM 287 CA GLY A 19 -13.422 3.813 -4.488 1.00 0.00 C ATOM 288 C GLY A 19 -14.333 3.099 -3.530 1.00 0.00 C ATOM 289 O GLY A 19 -13.953 2.037 -3.098 1.00 0.00 O ATOM 0 H GLY A 19 -13.323 5.746 -5.159 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.056 3.076 -5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.559 4.163 -3.921 1.00 0.00 H new ATOM 293 N SER A 20 -15.516 3.597 -3.189 1.00 0.00 N ATOM 294 CA SER A 20 -16.390 2.791 -2.340 1.00 0.00 C ATOM 295 C SER A 20 -16.797 1.528 -3.136 1.00 0.00 C ATOM 296 O SER A 20 -17.164 0.491 -2.577 1.00 0.00 O ATOM 297 CB SER A 20 -17.605 3.611 -1.873 1.00 0.00 C ATOM 298 OG SER A 20 -18.386 2.922 -0.906 1.00 0.00 O ATOM 0 H SER A 20 -15.881 4.508 -3.469 1.00 0.00 H new ATOM 0 HA SER A 20 -15.869 2.484 -1.433 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.262 4.556 -1.452 1.00 0.00 H new ATOM 0 HB3 SER A 20 -18.229 3.853 -2.734 1.00 0.00 H new ATOM 0 HG SER A 20 -19.144 3.482 -0.639 1.00 0.00 H new ATOM 304 N ASP A 21 -16.704 1.648 -4.454 1.00 0.00 N ATOM 305 CA ASP A 21 -16.885 0.504 -5.321 1.00 0.00 C ATOM 306 C ASP A 21 -15.562 -0.081 -5.777 1.00 0.00 C ATOM 307 O ASP A 21 -15.435 -1.296 -5.859 1.00 0.00 O ATOM 308 CB ASP A 21 -17.652 0.918 -6.553 1.00 0.00 C ATOM 309 CG ASP A 21 -18.244 -0.250 -7.313 1.00 0.00 C ATOM 310 OD1 ASP A 21 -19.296 -0.765 -6.902 1.00 0.00 O ATOM 311 OD2 ASP A 21 -17.707 -0.666 -8.344 1.00 0.00 O ATOM 0 H ASP A 21 -16.505 2.523 -4.939 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.427 -0.248 -4.748 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -18.454 1.596 -6.262 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -16.989 1.474 -7.215 1.00 0.00 H new ATOM 316 N ASN A 22 -14.544 0.759 -5.988 1.00 0.00 N ATOM 317 CA ASN A 22 -13.333 0.305 -6.662 1.00 0.00 C ATOM 318 C ASN A 22 -12.249 -0.164 -5.679 1.00 0.00 C ATOM 319 O ASN A 22 -11.604 -1.184 -5.922 1.00 0.00 O ATOM 320 CB ASN A 22 -12.792 1.435 -7.556 1.00 0.00 C ATOM 321 CG ASN A 22 -11.684 0.991 -8.503 1.00 0.00 C ATOM 322 OD1 ASN A 22 -11.659 -0.145 -8.969 1.00 0.00 O ATOM 323 ND2 ASN A 22 -10.770 1.889 -8.801 1.00 0.00 N ATOM 0 H ASN A 22 -14.537 1.739 -5.706 1.00 0.00 H new ATOM 0 HA ASN A 22 -13.598 -0.560 -7.271 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -13.614 1.848 -8.141 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.416 2.239 -6.923 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.010 1.651 -9.438 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.822 2.823 -8.395 1.00 0.00 H new ATOM 330 N VAL A 23 -12.051 0.544 -4.557 1.00 0.00 N ATOM 331 CA VAL A 23 -10.975 0.174 -3.635 1.00 0.00 C ATOM 332 C VAL A 23 -11.172 -1.186 -2.937 1.00 0.00 C ATOM 333 O VAL A 23 -10.200 -1.892 -2.807 1.00 0.00 O ATOM 334 CB VAL A 23 -10.487 1.293 -2.645 1.00 0.00 C ATOM 335 CG1 VAL A 23 -11.439 1.552 -1.492 1.00 0.00 C ATOM 336 CG2 VAL A 23 -9.081 1.003 -2.125 1.00 0.00 C ATOM 0 H VAL A 23 -12.605 1.352 -4.274 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.138 0.049 -4.322 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.466 2.209 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.032 2.337 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.407 1.867 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.563 0.639 -0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.774 1.796 -1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.078 0.049 -1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.386 0.956 -2.963 1.00 0.00 H new ATOM 346 N PRO A 24 -12.401 -1.615 -2.490 1.00 0.00 N ATOM 347 CA PRO A 24 -12.568 -2.960 -1.920 1.00 0.00 C ATOM 348 C PRO A 24 -12.156 -4.007 -2.942 1.00 0.00 C ATOM 349 O PRO A 24 -11.486 -4.985 -2.615 1.00 0.00 O ATOM 350 CB PRO A 24 -14.080 -3.069 -1.640 1.00 0.00 C ATOM 351 CG PRO A 24 -14.698 -1.953 -2.405 1.00 0.00 C ATOM 352 CD PRO A 24 -13.672 -0.870 -2.438 1.00 0.00 C ATOM 0 HA PRO A 24 -11.962 -3.118 -1.028 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.472 -4.033 -1.964 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.291 -2.980 -0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.965 -2.270 -3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.615 -1.610 -1.925 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.796 -0.223 -3.307 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.730 -0.233 -1.556 1.00 0.00 H new ATOM 360 N VAL A 25 -12.582 -3.743 -4.178 1.00 0.00 N ATOM 361 CA VAL A 25 -12.211 -4.626 -5.274 1.00 0.00 C ATOM 362 C VAL A 25 -10.677 -4.778 -5.350 1.00 0.00 C ATOM 363 O VAL A 25 -10.166 -5.882 -5.310 1.00 0.00 O ATOM 364 CB VAL A 25 -12.777 -4.147 -6.637 1.00 0.00 C ATOM 365 CG1 VAL A 25 -12.306 -5.041 -7.782 1.00 0.00 C ATOM 366 CG2 VAL A 25 -14.294 -4.126 -6.591 1.00 0.00 C ATOM 0 H VAL A 25 -13.167 -2.948 -4.437 1.00 0.00 H new ATOM 0 HA VAL A 25 -12.657 -5.599 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.404 -3.139 -6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.721 -4.677 -8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.217 -5.022 -7.834 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.643 -6.063 -7.608 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.683 -3.789 -7.552 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -14.666 -5.129 -6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.625 -3.445 -5.807 1.00 0.00 H new ATOM 376 N LEU A 26 -9.964 -3.665 -5.371 1.00 0.00 N ATOM 377 CA LEU A 26 -8.507 -3.645 -5.522 1.00 0.00 C ATOM 378 C LEU A 26 -7.783 -4.167 -4.224 1.00 0.00 C ATOM 379 O LEU A 26 -6.960 -5.067 -4.269 1.00 0.00 O ATOM 380 CB LEU A 26 -8.093 -2.177 -5.859 1.00 0.00 C ATOM 381 CG LEU A 26 -6.876 -1.960 -6.808 1.00 0.00 C ATOM 382 CD1 LEU A 26 -5.622 -2.663 -6.312 1.00 0.00 C ATOM 383 CD2 LEU A 26 -7.217 -2.403 -8.224 1.00 0.00 C ATOM 0 H LEU A 26 -10.378 -2.737 -5.283 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.202 -4.316 -6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.956 -1.680 -6.303 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.880 -1.666 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.660 -0.892 -6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.803 -2.481 -7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.354 -2.278 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.809 -3.735 -6.244 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.355 -2.244 -8.872 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.479 -3.461 -8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.062 -1.821 -8.594 1.00 0.00 H new ATOM 395 N LEU A 27 -8.072 -3.495 -3.133 1.00 0.00 N ATOM 396 CA LEU A 27 -7.485 -3.784 -1.830 1.00 0.00 C ATOM 397 C LEU A 27 -7.534 -5.267 -1.512 1.00 0.00 C ATOM 398 O LEU A 27 -6.499 -5.892 -1.285 1.00 0.00 O ATOM 399 CB LEU A 27 -8.233 -3.025 -0.733 1.00 0.00 C ATOM 400 CG LEU A 27 -7.833 -3.370 0.699 1.00 0.00 C ATOM 401 CD1 LEU A 27 -6.404 -2.944 0.990 1.00 0.00 C ATOM 402 CD2 LEU A 27 -8.800 -2.771 1.703 1.00 0.00 C ATOM 0 H LEU A 27 -8.732 -2.718 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.443 -3.465 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.080 -1.957 -0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.300 -3.214 -0.848 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.883 -4.454 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.149 -3.203 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.726 -3.456 0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.311 -1.867 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.486 -3.036 2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.808 -1.686 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.802 -3.160 1.520 1.00 0.00 H new ATOM 414 N ASP A 28 -8.731 -5.824 -1.529 1.00 0.00 N ATOM 415 CA ASP A 28 -8.923 -7.226 -1.181 1.00 0.00 C ATOM 416 C ASP A 28 -8.159 -8.169 -2.126 1.00 0.00 C ATOM 417 O ASP A 28 -7.602 -9.173 -1.677 1.00 0.00 O ATOM 418 CB ASP A 28 -10.413 -7.570 -1.162 1.00 0.00 C ATOM 419 CG ASP A 28 -10.721 -8.835 -0.395 1.00 0.00 C ATOM 420 OD1 ASP A 28 -10.723 -9.928 -0.974 1.00 0.00 O ATOM 421 OD2 ASP A 28 -10.981 -8.740 0.826 1.00 0.00 O ATOM 0 H ASP A 28 -9.587 -5.330 -1.780 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.512 -7.373 -0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.965 -6.741 -0.720 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.768 -7.679 -2.187 1.00 0.00 H new ATOM 426 N ILE A 29 -8.064 -7.812 -3.414 1.00 0.00 N ATOM 427 CA ILE A 29 -7.420 -8.707 -4.371 1.00 0.00 C ATOM 428 C ILE A 29 -5.917 -8.609 -4.277 1.00 0.00 C ATOM 429 O ILE A 29 -5.228 -9.625 -4.281 1.00 0.00 O ATOM 430 CB ILE A 29 -7.853 -8.494 -5.858 1.00 0.00 C ATOM 431 CG1 ILE A 29 -7.529 -7.068 -6.327 1.00 0.00 C ATOM 432 CG2 ILE A 29 -9.326 -8.827 -6.047 1.00 0.00 C ATOM 433 CD1 ILE A 29 -7.825 -6.756 -7.774 1.00 0.00 C ATOM 0 H ILE A 29 -8.414 -6.937 -3.804 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.760 -9.703 -4.086 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.279 -9.180 -6.482 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.087 -6.368 -5.705 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.471 -6.881 -6.146 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.603 -8.671 -7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.501 -9.868 -5.777 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.930 -8.180 -5.410 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.555 -5.721 -7.986 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.246 -7.421 -8.415 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.888 -6.900 -7.967 1.00 0.00 H new ATOM 445 N PHE A 30 -5.398 -7.390 -4.127 1.00 0.00 N ATOM 446 CA PHE A 30 -3.975 -7.187 -4.161 1.00 0.00 C ATOM 447 C PHE A 30 -3.357 -7.782 -2.939 1.00 0.00 C ATOM 448 O PHE A 30 -2.240 -8.162 -2.916 1.00 0.00 O ATOM 449 CB PHE A 30 -3.646 -5.706 -4.363 1.00 0.00 C ATOM 450 CG PHE A 30 -3.400 -4.823 -3.152 1.00 0.00 C ATOM 451 CD1 PHE A 30 -2.202 -4.883 -2.448 1.00 0.00 C ATOM 452 CD2 PHE A 30 -4.326 -3.874 -2.783 1.00 0.00 C ATOM 453 CE1 PHE A 30 -1.954 -4.025 -1.397 1.00 0.00 C ATOM 454 CE2 PHE A 30 -4.087 -3.016 -1.726 1.00 0.00 C ATOM 455 CZ PHE A 30 -2.899 -3.091 -1.033 1.00 0.00 C ATOM 0 H PHE A 30 -5.948 -6.543 -3.983 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.540 -7.703 -5.017 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.758 -5.652 -4.993 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.466 -5.263 -4.929 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.456 -5.612 -2.728 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.255 -3.798 -3.329 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.019 -4.085 -0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.832 -2.287 -1.443 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.709 -2.421 -0.208 1.00 0.00 H new ATOM 465 N LEU A 31 -4.150 -7.936 -1.962 1.00 0.00 N ATOM 466 CA LEU A 31 -3.756 -8.566 -0.802 1.00 0.00 C ATOM 467 C LEU A 31 -3.918 -10.054 -0.925 1.00 0.00 C ATOM 468 O LEU A 31 -2.943 -10.757 -0.834 1.00 0.00 O ATOM 469 CB LEU A 31 -4.456 -7.909 0.367 1.00 0.00 C ATOM 470 CG LEU A 31 -4.007 -6.508 0.630 1.00 0.00 C ATOM 471 CD1 LEU A 31 -4.728 -5.955 1.820 1.00 0.00 C ATOM 472 CD2 LEU A 31 -2.506 -6.462 0.758 1.00 0.00 C ATOM 0 H LEU A 31 -5.118 -7.614 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.689 -8.443 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.530 -7.907 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.289 -8.508 1.262 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.263 -5.865 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.395 -4.934 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.801 -5.958 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.513 -6.570 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.188 -5.437 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.192 -7.100 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.051 -6.816 -0.167 1.00 0.00 H new ATOM 484 N GLY A 32 -5.108 -10.525 -1.225 1.00 0.00 N ATOM 485 CA GLY A 32 -5.370 -11.946 -1.320 1.00 0.00 C ATOM 486 C GLY A 32 -4.494 -12.683 -2.330 1.00 0.00 C ATOM 487 O GLY A 32 -3.882 -13.693 -1.985 1.00 0.00 O ATOM 0 H GLY A 32 -5.920 -9.936 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.227 -12.396 -0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.416 -12.093 -1.589 1.00 0.00 H new ATOM 491 N GLU A 33 -4.374 -12.152 -3.544 1.00 0.00 N ATOM 492 CA GLU A 33 -3.657 -12.837 -4.627 1.00 0.00 C ATOM 493 C GLU A 33 -2.153 -12.682 -4.478 1.00 0.00 C ATOM 494 O GLU A 33 -1.394 -13.619 -4.708 1.00 0.00 O ATOM 495 CB GLU A 33 -4.095 -12.299 -5.978 1.00 0.00 C ATOM 496 CG GLU A 33 -5.587 -12.098 -6.069 1.00 0.00 C ATOM 497 CD GLU A 33 -6.055 -11.922 -7.485 1.00 0.00 C ATOM 498 OE1 GLU A 33 -5.955 -10.815 -8.036 1.00 0.00 O ATOM 499 OE2 GLU A 33 -6.535 -12.916 -8.087 1.00 0.00 O ATOM 0 H GLU A 33 -4.764 -11.247 -3.807 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.902 -13.897 -4.565 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.593 -11.350 -6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.777 -12.989 -6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.094 -12.955 -5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.869 -11.223 -5.484 1.00 0.00 H new ATOM 506 N MET A 34 -1.755 -11.489 -4.096 1.00 0.00 N ATOM 507 CA MET A 34 -0.320 -11.286 -3.863 1.00 0.00 C ATOM 508 C MET A 34 0.168 -12.209 -2.781 1.00 0.00 C ATOM 509 O MET A 34 1.169 -12.908 -2.925 1.00 0.00 O ATOM 510 CB MET A 34 -0.094 -9.914 -3.402 1.00 0.00 C ATOM 511 CG MET A 34 0.156 -8.856 -4.496 1.00 0.00 C ATOM 512 SD MET A 34 -1.132 -8.672 -5.774 1.00 0.00 S ATOM 513 CE MET A 34 -0.834 -10.080 -6.852 1.00 0.00 C ATOM 0 H MET A 34 -2.355 -10.679 -3.943 1.00 0.00 H new ATOM 0 HA MET A 34 0.211 -11.482 -4.795 1.00 0.00 H new ATOM 0 HB2 MET A 34 -0.960 -9.603 -2.817 1.00 0.00 H new ATOM 0 HB3 MET A 34 0.762 -9.917 -2.727 1.00 0.00 H new ATOM 0 HG2 MET A 34 0.292 -7.890 -4.009 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.096 -9.097 -4.993 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.030 -9.795 -7.886 1.00 0.00 H new ATOM 0 HE2 MET A 34 0.203 -10.400 -6.754 1.00 0.00 H new ATOM 0 HE3 MET A 34 -1.494 -10.900 -6.570 1.00 0.00 H new ATOM 523 N ASP A 35 -0.626 -12.283 -1.744 1.00 0.00 N ATOM 524 CA ASP A 35 -0.367 -13.098 -0.586 1.00 0.00 C ATOM 525 C ASP A 35 -0.486 -14.568 -0.945 1.00 0.00 C ATOM 526 O ASP A 35 0.144 -15.425 -0.328 1.00 0.00 O ATOM 527 CB ASP A 35 -1.387 -12.743 0.475 1.00 0.00 C ATOM 528 CG ASP A 35 -1.253 -13.587 1.729 1.00 0.00 C ATOM 529 OD1 ASP A 35 -0.328 -13.356 2.540 1.00 0.00 O ATOM 530 OD2 ASP A 35 -2.055 -14.526 1.906 1.00 0.00 O ATOM 0 H ASP A 35 -1.499 -11.760 -1.681 1.00 0.00 H new ATOM 0 HA ASP A 35 0.643 -12.916 -0.218 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.279 -11.691 0.738 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.389 -12.868 0.065 1.00 0.00 H new ATOM 535 N SER A 36 -1.247 -14.832 -2.001 1.00 0.00 N ATOM 536 CA SER A 36 -1.474 -16.201 -2.425 1.00 0.00 C ATOM 537 C SER A 36 -0.184 -16.817 -2.822 1.00 0.00 C ATOM 538 O SER A 36 0.214 -17.895 -2.369 1.00 0.00 O ATOM 539 CB SER A 36 -2.337 -16.318 -3.661 1.00 0.00 C ATOM 540 OG SER A 36 -3.654 -15.830 -3.472 1.00 0.00 O ATOM 0 H SER A 36 -1.710 -14.124 -2.570 1.00 0.00 H new ATOM 0 HA SER A 36 -1.961 -16.683 -1.577 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.867 -15.769 -4.477 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.384 -17.364 -3.965 1.00 0.00 H new ATOM 0 HG SER A 36 -3.652 -15.147 -2.769 1.00 0.00 H new ATOM 546 N TYR A 37 0.468 -16.081 -3.671 1.00 0.00 N ATOM 547 CA TYR A 37 1.669 -16.483 -4.290 1.00 0.00 C ATOM 548 C TYR A 37 2.787 -16.425 -3.360 1.00 0.00 C ATOM 549 O TYR A 37 3.825 -16.929 -3.592 1.00 0.00 O ATOM 550 CB TYR A 37 1.873 -15.678 -5.541 1.00 0.00 C ATOM 551 CG TYR A 37 0.909 -16.206 -6.520 1.00 0.00 C ATOM 552 CD1 TYR A 37 1.210 -17.362 -7.160 1.00 0.00 C ATOM 553 CD2 TYR A 37 -0.325 -15.639 -6.703 1.00 0.00 C ATOM 554 CE1 TYR A 37 0.341 -17.978 -7.982 1.00 0.00 C ATOM 555 CE2 TYR A 37 -1.241 -16.231 -7.558 1.00 0.00 C ATOM 556 CZ TYR A 37 -0.899 -17.416 -8.194 1.00 0.00 C ATOM 557 OH TYR A 37 -1.808 -18.057 -9.007 1.00 0.00 O ATOM 0 H TYR A 37 0.156 -15.152 -3.954 1.00 0.00 H new ATOM 0 HA TYR A 37 1.606 -17.530 -4.588 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.701 -14.618 -5.356 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.895 -15.776 -5.907 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.183 -17.805 -7.005 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.584 -14.730 -6.180 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.612 -18.902 -8.470 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.206 -15.777 -7.727 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.634 -17.531 -9.052 1.00 0.00 H new ATOM 567 N ILE A 38 2.585 -15.805 -2.302 1.00 0.00 N ATOM 568 CA ILE A 38 3.587 -15.789 -1.324 1.00 0.00 C ATOM 569 C ILE A 38 3.388 -16.926 -0.356 1.00 0.00 C ATOM 570 O ILE A 38 4.306 -17.419 0.241 1.00 0.00 O ATOM 571 CB ILE A 38 3.824 -14.371 -0.797 1.00 0.00 C ATOM 572 CG1 ILE A 38 4.731 -13.642 -1.812 1.00 0.00 C ATOM 573 CG2 ILE A 38 4.456 -14.345 0.592 1.00 0.00 C ATOM 574 CD1 ILE A 38 4.343 -13.676 -3.306 1.00 0.00 C ATOM 0 H ILE A 38 1.734 -15.292 -2.072 1.00 0.00 H new ATOM 0 HA ILE A 38 4.571 -16.016 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 38 2.860 -13.873 -0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.793 -12.597 -1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.733 -14.060 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.598 -13.311 0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.801 -14.854 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.421 -14.851 0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.079 -13.119 -3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.315 -14.710 -3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.360 -13.223 -3.437 1.00 0.00 H new ATOM 586 N GLY A 39 2.182 -17.414 -0.297 1.00 0.00 N ATOM 587 CA GLY A 39 1.983 -18.668 0.353 1.00 0.00 C ATOM 588 C GLY A 39 2.641 -19.764 -0.487 1.00 0.00 C ATOM 589 O GLY A 39 3.539 -20.464 -0.025 1.00 0.00 O ATOM 0 H GLY A 39 1.345 -16.974 -0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.415 -18.648 1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.918 -18.869 0.469 1.00 0.00 H new ATOM 593 N THR A 40 2.312 -19.786 -1.768 1.00 0.00 N ATOM 594 CA THR A 40 2.709 -20.846 -2.632 1.00 0.00 C ATOM 595 C THR A 40 4.082 -20.607 -3.244 1.00 0.00 C ATOM 596 O THR A 40 4.942 -21.468 -3.175 1.00 0.00 O ATOM 597 CB THR A 40 1.668 -21.034 -3.737 1.00 0.00 C ATOM 598 OG1 THR A 40 0.366 -21.010 -3.144 1.00 0.00 O ATOM 599 CG2 THR A 40 1.865 -22.368 -4.437 1.00 0.00 C ATOM 0 H THR A 40 1.760 -19.059 -2.224 1.00 0.00 H new ATOM 0 HA THR A 40 2.776 -21.752 -2.030 1.00 0.00 H new ATOM 0 HB THR A 40 1.776 -20.234 -4.469 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.313 -21.128 -3.841 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.115 -22.483 -5.219 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.860 -22.403 -4.880 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.762 -23.177 -3.714 1.00 0.00 H new ATOM 607 N LEU A 41 4.346 -19.450 -3.826 1.00 0.00 N ATOM 608 CA LEU A 41 5.596 -19.206 -4.493 1.00 0.00 C ATOM 609 C LEU A 41 6.714 -18.863 -3.524 1.00 0.00 C ATOM 610 O LEU A 41 7.831 -18.744 -3.923 1.00 0.00 O ATOM 611 CB LEU A 41 5.449 -18.122 -5.526 1.00 0.00 C ATOM 612 CG LEU A 41 4.391 -18.289 -6.548 1.00 0.00 C ATOM 613 CD1 LEU A 41 4.622 -17.360 -7.727 1.00 0.00 C ATOM 614 CD2 LEU A 41 4.154 -19.731 -6.949 1.00 0.00 C ATOM 0 H LEU A 41 3.698 -18.662 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 41 5.873 -20.136 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.267 -17.183 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.403 -18.019 -6.043 1.00 0.00 H new ATOM 0 HG LEU A 41 3.451 -17.989 -6.084 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.831 -17.503 -8.463 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.615 -16.326 -7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.586 -17.584 -8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.366 -19.775 -7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.072 -20.150 -7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.853 -20.307 -6.074 1.00 0.00 H new ATOM 626 N THR A 42 6.382 -18.654 -2.275 1.00 0.00 N ATOM 627 CA THR A 42 7.446 -18.566 -1.280 1.00 0.00 C ATOM 628 C THR A 42 7.870 -19.944 -0.856 1.00 0.00 C ATOM 629 O THR A 42 9.047 -20.216 -0.620 1.00 0.00 O ATOM 630 CB THR A 42 6.975 -17.736 -0.114 1.00 0.00 C ATOM 631 OG1 THR A 42 6.827 -16.388 -0.556 1.00 0.00 O ATOM 632 CG2 THR A 42 7.857 -17.819 1.119 1.00 0.00 C ATOM 0 H THR A 42 5.431 -18.544 -1.923 1.00 0.00 H new ATOM 0 HA THR A 42 8.319 -18.076 -1.710 1.00 0.00 H new ATOM 0 HB THR A 42 6.020 -18.147 0.214 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.958 -16.346 -1.526 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.441 -17.190 1.907 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.903 -18.852 1.465 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.861 -17.475 0.872 1.00 0.00 H new ATOM 640 N GLU A 43 6.903 -20.812 -0.829 1.00 0.00 N ATOM 641 CA GLU A 43 7.182 -22.212 -0.545 1.00 0.00 C ATOM 642 C GLU A 43 7.667 -22.921 -1.815 1.00 0.00 C ATOM 643 O GLU A 43 7.870 -24.141 -1.821 1.00 0.00 O ATOM 644 CB GLU A 43 6.010 -22.960 0.119 1.00 0.00 C ATOM 645 CG GLU A 43 4.797 -23.204 -0.755 1.00 0.00 C ATOM 646 CD GLU A 43 3.685 -23.903 -0.020 1.00 0.00 C ATOM 647 OE1 GLU A 43 2.925 -23.247 0.713 1.00 0.00 O ATOM 648 OE2 GLU A 43 3.538 -25.133 -0.168 1.00 0.00 O ATOM 0 H GLU A 43 5.921 -20.592 -0.996 1.00 0.00 H new ATOM 0 HA GLU A 43 7.979 -22.230 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.375 -23.923 0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.694 -22.394 0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.432 -22.251 -1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.090 -23.803 -1.618 1.00 0.00 H new ATOM 655 N LEU A 44 7.882 -22.152 -2.896 1.00 0.00 N ATOM 656 CA LEU A 44 8.389 -22.655 -4.140 1.00 0.00 C ATOM 657 C LEU A 44 9.603 -21.862 -4.657 1.00 0.00 C ATOM 658 O LEU A 44 10.412 -22.406 -5.410 1.00 0.00 O ATOM 659 CB LEU A 44 7.250 -22.630 -5.169 1.00 0.00 C ATOM 660 CG LEU A 44 6.156 -23.680 -5.012 1.00 0.00 C ATOM 661 CD1 LEU A 44 5.130 -23.529 -6.116 1.00 0.00 C ATOM 662 CD2 LEU A 44 6.743 -25.076 -5.007 1.00 0.00 C ATOM 0 H LEU A 44 7.698 -21.149 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 44 8.743 -23.673 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.783 -21.646 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.687 -22.741 -6.161 1.00 0.00 H new ATOM 0 HG LEU A 44 5.661 -23.526 -4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.352 -24.283 -5.996 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.683 -22.536 -6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.615 -23.659 -7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.942 -25.807 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.267 -25.254 -5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.443 -25.173 -4.177 1.00 0.00 H new ATOM 674 N GLN A 45 9.729 -20.589 -4.272 1.00 0.00 N ATOM 675 CA GLN A 45 10.801 -19.730 -4.792 1.00 0.00 C ATOM 676 C GLN A 45 10.897 -18.398 -4.035 1.00 0.00 C ATOM 677 O GLN A 45 10.313 -18.212 -2.973 1.00 0.00 O ATOM 678 CB GLN A 45 10.558 -19.462 -6.293 1.00 0.00 C ATOM 679 CG GLN A 45 9.351 -18.604 -6.627 1.00 0.00 C ATOM 680 CD GLN A 45 9.050 -18.584 -8.108 1.00 0.00 C ATOM 681 OE1 GLN A 45 8.286 -19.407 -8.606 1.00 0.00 O ATOM 682 NE2 GLN A 45 9.645 -17.655 -8.821 1.00 0.00 N ATOM 0 H GLN A 45 9.107 -20.131 -3.606 1.00 0.00 H new ATOM 0 HA GLN A 45 11.746 -20.253 -4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.446 -18.982 -6.705 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.450 -20.421 -6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.481 -18.979 -6.087 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.526 -17.585 -6.281 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.273 -16.990 -8.370 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.479 -17.599 -9.826 1.00 0.00 H new ATOM 691 N GLY A 46 11.655 -17.486 -4.612 1.00 0.00 N ATOM 692 CA GLY A 46 11.812 -16.153 -4.076 1.00 0.00 C ATOM 693 C GLY A 46 10.779 -15.215 -4.649 1.00 0.00 C ATOM 694 O GLY A 46 11.063 -14.068 -4.937 1.00 0.00 O ATOM 0 H GLY A 46 12.181 -17.652 -5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.721 -16.181 -2.990 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.811 -15.781 -4.303 1.00 0.00 H new ATOM 698 N SER A 47 9.610 -15.754 -4.907 1.00 0.00 N ATOM 699 CA SER A 47 8.551 -14.960 -5.403 1.00 0.00 C ATOM 700 C SER A 47 8.227 -13.822 -4.457 1.00 0.00 C ATOM 701 O SER A 47 7.985 -12.760 -4.910 1.00 0.00 O ATOM 702 CB SER A 47 7.376 -15.792 -5.715 1.00 0.00 C ATOM 703 OG SER A 47 6.320 -15.036 -6.282 1.00 0.00 O ATOM 0 H SER A 47 9.385 -16.740 -4.776 1.00 0.00 H new ATOM 0 HA SER A 47 8.872 -14.501 -6.338 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.666 -16.583 -6.407 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.025 -16.278 -4.805 1.00 0.00 H new ATOM 0 HG SER A 47 5.525 -15.106 -5.713 1.00 0.00 H new ATOM 709 N GLU A 48 7.931 -14.107 -3.223 1.00 0.00 N ATOM 710 CA GLU A 48 7.928 -13.046 -2.166 1.00 0.00 C ATOM 711 C GLU A 48 8.926 -11.838 -2.474 1.00 0.00 C ATOM 712 O GLU A 48 8.609 -10.686 -2.242 1.00 0.00 O ATOM 713 CB GLU A 48 8.375 -13.723 -0.879 1.00 0.00 C ATOM 714 CG GLU A 48 9.492 -14.729 -1.153 1.00 0.00 C ATOM 715 CD GLU A 48 10.427 -15.024 -0.006 1.00 0.00 C ATOM 716 OE1 GLU A 48 10.101 -15.834 0.871 1.00 0.00 O ATOM 717 OE2 GLU A 48 11.535 -14.476 0.004 1.00 0.00 O ATOM 0 H GLU A 48 7.687 -15.040 -2.891 1.00 0.00 H new ATOM 0 HA GLU A 48 6.928 -12.615 -2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.722 -12.972 -0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.528 -14.230 -0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.036 -15.666 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.085 -14.361 -1.991 1.00 0.00 H new ATOM 724 N GLN A 49 10.127 -12.137 -2.974 1.00 0.00 N ATOM 725 CA GLN A 49 11.059 -11.090 -3.404 1.00 0.00 C ATOM 726 C GLN A 49 10.428 -10.232 -4.535 1.00 0.00 C ATOM 727 O GLN A 49 10.585 -9.014 -4.581 1.00 0.00 O ATOM 728 CB GLN A 49 12.417 -11.759 -3.765 1.00 0.00 C ATOM 729 CG GLN A 49 13.354 -11.032 -4.722 1.00 0.00 C ATOM 730 CD GLN A 49 13.166 -11.463 -6.174 1.00 0.00 C ATOM 731 OE1 GLN A 49 12.350 -10.766 -6.916 1.00 0.00 O flip ATOM 732 NE2 GLN A 49 13.800 -12.412 -6.632 1.00 0.00 N flip ATOM 0 H GLN A 49 10.476 -13.088 -3.091 1.00 0.00 H new ATOM 0 HA GLN A 49 11.262 -10.379 -2.603 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.960 -11.930 -2.835 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.201 -12.738 -4.192 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.186 -9.958 -4.642 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.386 -11.217 -4.423 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.432 -12.941 -6.031 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.694 -12.670 -7.613 1.00 0.00 H new ATOM 741 N LEU A 50 9.715 -10.910 -5.436 1.00 0.00 N ATOM 742 CA LEU A 50 8.949 -10.292 -6.482 1.00 0.00 C ATOM 743 C LEU A 50 7.897 -9.473 -5.835 1.00 0.00 C ATOM 744 O LEU A 50 7.741 -8.325 -6.195 1.00 0.00 O ATOM 745 CB LEU A 50 8.246 -11.331 -7.353 1.00 0.00 C ATOM 746 CG LEU A 50 7.535 -10.816 -8.602 1.00 0.00 C ATOM 747 CD1 LEU A 50 8.529 -10.450 -9.691 1.00 0.00 C ATOM 748 CD2 LEU A 50 6.508 -11.823 -9.085 1.00 0.00 C ATOM 0 H LEU A 50 9.663 -11.929 -5.446 1.00 0.00 H new ATOM 0 HA LEU A 50 9.620 -9.704 -7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.985 -12.070 -7.663 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.514 -11.852 -6.736 1.00 0.00 H new ATOM 0 HG LEU A 50 7.002 -9.902 -8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.992 -10.087 -10.567 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.198 -9.670 -9.326 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.112 -11.330 -9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.012 -11.438 -9.976 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.005 -12.763 -9.324 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.768 -11.992 -8.302 1.00 0.00 H new ATOM 760 N LEU A 51 7.228 -10.074 -4.816 1.00 0.00 N ATOM 761 CA LEU A 51 6.082 -9.499 -4.106 1.00 0.00 C ATOM 762 C LEU A 51 6.214 -8.004 -3.860 1.00 0.00 C ATOM 763 O LEU A 51 5.286 -7.254 -4.048 1.00 0.00 O ATOM 764 CB LEU A 51 5.863 -10.189 -2.777 1.00 0.00 C ATOM 765 CG LEU A 51 4.574 -9.865 -2.077 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.437 -10.568 -2.772 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.640 -10.168 -0.587 1.00 0.00 C ATOM 0 H LEU A 51 7.487 -10.996 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 51 5.226 -9.658 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.907 -11.266 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.689 -9.931 -2.114 1.00 0.00 H new ATOM 0 HG LEU A 51 4.395 -8.792 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.501 -10.334 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.382 -10.235 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.605 -11.645 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.686 -9.918 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.849 -11.228 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.432 -9.575 -0.130 1.00 0.00 H new ATOM 779 N TYR A 52 7.385 -7.577 -3.637 1.00 0.00 N ATOM 780 CA TYR A 52 7.699 -6.242 -3.280 1.00 0.00 C ATOM 781 C TYR A 52 7.512 -5.269 -4.440 1.00 0.00 C ATOM 782 O TYR A 52 6.698 -4.350 -4.383 1.00 0.00 O ATOM 783 CB TYR A 52 9.143 -6.288 -2.963 1.00 0.00 C ATOM 784 CG TYR A 52 9.737 -4.944 -2.559 1.00 0.00 C ATOM 785 CD1 TYR A 52 9.125 -4.141 -1.595 1.00 0.00 C ATOM 786 CD2 TYR A 52 10.918 -4.482 -3.131 1.00 0.00 C ATOM 787 CE1 TYR A 52 9.670 -2.936 -1.225 1.00 0.00 C ATOM 788 CE2 TYR A 52 11.461 -3.268 -2.761 1.00 0.00 C ATOM 789 CZ TYR A 52 10.833 -2.506 -1.804 1.00 0.00 C ATOM 790 OH TYR A 52 11.370 -1.311 -1.418 1.00 0.00 O ATOM 0 H TYR A 52 8.207 -8.177 -3.700 1.00 0.00 H new ATOM 0 HA TYR A 52 7.056 -5.901 -2.468 1.00 0.00 H new ATOM 0 HB2 TYR A 52 9.303 -7.001 -2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.683 -6.665 -3.832 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.207 -4.473 -1.132 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.418 -5.083 -3.876 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.181 -2.328 -0.478 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.374 -2.919 -3.221 1.00 0.00 H new ATOM 0 HH TYR A 52 12.196 -1.146 -1.919 1.00 0.00 H new ATOM 800 N LEU A 53 8.175 -5.603 -5.527 1.00 0.00 N ATOM 801 CA LEU A 53 8.233 -4.589 -6.578 1.00 0.00 C ATOM 802 C LEU A 53 6.943 -4.495 -7.283 1.00 0.00 C ATOM 803 O LEU A 53 6.516 -3.415 -7.671 1.00 0.00 O ATOM 804 CB LEU A 53 9.428 -4.692 -7.540 1.00 0.00 C ATOM 805 CG LEU A 53 9.287 -5.581 -8.789 1.00 0.00 C ATOM 806 CD1 LEU A 53 10.430 -5.310 -9.738 1.00 0.00 C ATOM 807 CD2 LEU A 53 9.272 -7.051 -8.441 1.00 0.00 C ATOM 0 H LEU A 53 8.648 -6.489 -5.708 1.00 0.00 H new ATOM 0 HA LEU A 53 8.419 -3.649 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.672 -3.684 -7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.283 -5.054 -6.970 1.00 0.00 H new ATOM 0 HG LEU A 53 8.334 -5.335 -9.258 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.327 -5.941 -10.621 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.414 -4.262 -10.037 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.375 -5.531 -9.242 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.171 -7.640 -9.353 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.203 -7.316 -7.939 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.431 -7.260 -7.779 1.00 0.00 H new ATOM 819 N LYS A 54 6.311 -5.609 -7.396 1.00 0.00 N ATOM 820 CA LYS A 54 5.026 -5.648 -8.006 1.00 0.00 C ATOM 821 C LYS A 54 4.005 -4.890 -7.213 1.00 0.00 C ATOM 822 O LYS A 54 3.539 -3.948 -7.683 1.00 0.00 O ATOM 823 CB LYS A 54 4.540 -7.043 -8.279 1.00 0.00 C ATOM 824 CG LYS A 54 5.200 -7.961 -7.327 1.00 0.00 C ATOM 825 CD LYS A 54 4.601 -9.287 -7.176 1.00 0.00 C ATOM 826 CE LYS A 54 3.337 -9.241 -6.382 1.00 0.00 C ATOM 827 NZ LYS A 54 3.258 -8.204 -5.315 1.00 0.00 N ATOM 0 H LYS A 54 6.663 -6.510 -7.073 1.00 0.00 H new ATOM 0 HA LYS A 54 5.152 -5.157 -8.971 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.457 -7.096 -8.168 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.770 -7.331 -9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.237 -8.089 -7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.219 -7.482 -6.348 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.396 -9.707 -8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.312 -9.953 -6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.507 -9.085 -7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.189 -10.217 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.720 -8.577 -4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.218 -7.952 -5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.781 -7.358 -5.688 1.00 0.00 H new ATOM 841 N GLU A 55 3.858 -5.188 -5.945 1.00 0.00 N ATOM 842 CA GLU A 55 2.647 -4.619 -5.311 1.00 0.00 C ATOM 843 C GLU A 55 2.711 -3.155 -5.057 1.00 0.00 C ATOM 844 O GLU A 55 1.745 -2.433 -5.265 1.00 0.00 O ATOM 845 CB GLU A 55 2.176 -5.372 -4.103 1.00 0.00 C ATOM 846 CG GLU A 55 3.141 -5.429 -2.959 1.00 0.00 C ATOM 847 CD GLU A 55 2.735 -6.573 -2.096 1.00 0.00 C ATOM 848 OE1 GLU A 55 2.629 -7.686 -2.671 1.00 0.00 O ATOM 849 OE2 GLU A 55 2.439 -6.373 -0.915 1.00 0.00 O ATOM 0 H GLU A 55 4.475 -5.756 -5.365 1.00 0.00 H new ATOM 0 HA GLU A 55 1.883 -4.756 -6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.250 -4.917 -3.752 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.936 -6.392 -4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.160 -5.564 -3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.124 -4.497 -2.395 1.00 0.00 H new ATOM 856 N ILE A 56 3.832 -2.732 -4.615 1.00 0.00 N ATOM 857 CA ILE A 56 3.971 -1.339 -4.321 1.00 0.00 C ATOM 858 C ILE A 56 3.995 -0.489 -5.608 1.00 0.00 C ATOM 859 O ILE A 56 3.803 0.715 -5.549 1.00 0.00 O ATOM 860 CB ILE A 56 5.179 -1.048 -3.429 1.00 0.00 C ATOM 861 CG1 ILE A 56 6.450 -1.310 -4.223 1.00 0.00 C ATOM 862 CG2 ILE A 56 5.131 -1.918 -2.166 1.00 0.00 C ATOM 863 CD1 ILE A 56 7.695 -1.285 -3.396 1.00 0.00 C ATOM 0 H ILE A 56 4.658 -3.307 -4.447 1.00 0.00 H new ATOM 0 HA ILE A 56 3.088 -1.049 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 56 5.163 -0.005 -3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.369 -2.281 -4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.534 -0.563 -5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.997 -1.700 -1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.219 -1.702 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.143 -2.971 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.558 -1.480 -4.032 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.802 -0.306 -2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.634 -2.051 -2.623 1.00 0.00 H new ATOM 875 N SER A 57 4.220 -1.129 -6.761 1.00 0.00 N ATOM 876 CA SER A 57 4.149 -0.435 -8.051 1.00 0.00 C ATOM 877 C SER A 57 2.772 -0.705 -8.686 1.00 0.00 C ATOM 878 O SER A 57 2.173 0.149 -9.329 1.00 0.00 O ATOM 879 CB SER A 57 5.268 -0.928 -8.971 1.00 0.00 C ATOM 880 OG SER A 57 6.529 -0.820 -8.318 1.00 0.00 O ATOM 0 H SER A 57 4.451 -2.120 -6.827 1.00 0.00 H new ATOM 0 HA SER A 57 4.275 0.637 -7.903 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.085 -1.965 -9.254 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.276 -0.343 -9.891 1.00 0.00 H new ATOM 0 HG SER A 57 6.742 -1.668 -7.875 1.00 0.00 H new ATOM 886 N HIS A 58 2.335 -1.920 -8.504 1.00 0.00 N ATOM 887 CA HIS A 58 1.041 -2.396 -8.914 1.00 0.00 C ATOM 888 C HIS A 58 -0.051 -1.726 -8.140 1.00 0.00 C ATOM 889 O HIS A 58 -0.581 -0.715 -8.573 1.00 0.00 O ATOM 890 CB HIS A 58 0.956 -3.949 -8.848 1.00 0.00 C ATOM 891 CG HIS A 58 -0.405 -4.591 -8.881 1.00 0.00 C ATOM 892 ND1 HIS A 58 -0.859 -5.285 -7.785 1.00 0.00 N ATOM 893 CD2 HIS A 58 -1.323 -4.672 -9.869 1.00 0.00 C ATOM 894 CE1 HIS A 58 -2.033 -5.775 -8.122 1.00 0.00 C ATOM 895 NE2 HIS A 58 -2.355 -5.434 -9.372 1.00 0.00 N ATOM 0 H HIS A 58 2.895 -2.638 -8.045 1.00 0.00 H new ATOM 0 HA HIS A 58 0.898 -2.125 -9.960 1.00 0.00 H new ATOM 0 HB2 HIS A 58 1.533 -4.349 -9.682 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.453 -4.271 -7.933 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -1.259 -4.228 -10.851 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.654 -6.374 -7.473 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -3.209 -5.691 -9.867 1.00 0.00 H new ATOM 903 N ALA A 59 -0.359 -2.202 -6.965 1.00 0.00 N ATOM 904 CA ALA A 59 -1.527 -1.854 -6.240 1.00 0.00 C ATOM 905 C ALA A 59 -1.322 -0.678 -5.344 1.00 0.00 C ATOM 906 O ALA A 59 -2.190 0.171 -5.271 1.00 0.00 O ATOM 907 CB ALA A 59 -1.954 -3.026 -5.437 1.00 0.00 C ATOM 0 H ALA A 59 0.231 -2.873 -6.474 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.295 -1.571 -6.960 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.852 -2.773 -4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.166 -3.864 -6.101 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.158 -3.303 -4.746 1.00 0.00 H new ATOM 913 N LEU A 60 -0.209 -0.605 -4.627 1.00 0.00 N ATOM 914 CA LEU A 60 -0.014 0.560 -3.778 1.00 0.00 C ATOM 915 C LEU A 60 0.250 1.764 -4.600 1.00 0.00 C ATOM 916 O LEU A 60 -0.170 2.834 -4.273 1.00 0.00 O ATOM 917 CB LEU A 60 1.044 0.415 -2.695 1.00 0.00 C ATOM 918 CG LEU A 60 0.748 -0.566 -1.564 1.00 0.00 C ATOM 919 CD1 LEU A 60 0.728 -2.005 -2.047 1.00 0.00 C ATOM 920 CD2 LEU A 60 1.747 -0.362 -0.453 1.00 0.00 C ATOM 0 H LEU A 60 0.538 -1.300 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.954 0.666 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.977 0.112 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.215 1.397 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.253 -0.364 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.514 -2.667 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.043 -2.123 -2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.699 -2.260 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.538 -1.061 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.754 -0.536 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.672 0.659 -0.079 1.00 0.00 H new ATOM 932 N LYS A 61 0.882 1.602 -5.713 1.00 0.00 N ATOM 933 CA LYS A 61 1.103 2.749 -6.526 1.00 0.00 C ATOM 934 C LYS A 61 -0.205 3.106 -7.220 1.00 0.00 C ATOM 935 O LYS A 61 -0.421 4.241 -7.549 1.00 0.00 O ATOM 936 CB LYS A 61 2.227 2.503 -7.503 1.00 0.00 C ATOM 937 CG LYS A 61 3.017 3.723 -7.989 1.00 0.00 C ATOM 938 CD LYS A 61 4.014 4.245 -6.936 1.00 0.00 C ATOM 939 CE LYS A 61 3.407 5.200 -5.909 1.00 0.00 C ATOM 940 NZ LYS A 61 2.985 6.478 -6.531 1.00 0.00 N ATOM 0 H LYS A 61 1.244 0.719 -6.072 1.00 0.00 H new ATOM 0 HA LYS A 61 1.413 3.595 -5.913 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.929 1.809 -7.041 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.811 2.001 -8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.559 3.461 -8.898 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.321 4.520 -8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.447 3.394 -6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.831 4.753 -7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.548 4.726 -5.434 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.136 5.401 -5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.689 7.144 -5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.781 6.884 -7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.189 6.303 -7.177 1.00 0.00 H new ATOM 954 N SER A 62 -1.120 2.145 -7.317 1.00 0.00 N ATOM 955 CA SER A 62 -2.390 2.381 -7.952 1.00 0.00 C ATOM 956 C SER A 62 -3.346 3.051 -6.972 1.00 0.00 C ATOM 957 O SER A 62 -3.684 4.243 -7.070 1.00 0.00 O ATOM 958 CB SER A 62 -2.993 1.071 -8.463 1.00 0.00 C ATOM 959 OG SER A 62 -4.272 1.255 -9.052 1.00 0.00 O ATOM 0 H SER A 62 -0.994 1.198 -6.960 1.00 0.00 H new ATOM 0 HA SER A 62 -2.232 3.041 -8.805 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.320 0.626 -9.196 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.075 0.366 -7.636 1.00 0.00 H new ATOM 0 HG SER A 62 -4.615 0.392 -9.365 1.00 0.00 H new ATOM 965 N SER A 63 -3.693 2.289 -5.974 1.00 0.00 N ATOM 966 CA SER A 63 -4.629 2.644 -4.987 1.00 0.00 C ATOM 967 C SER A 63 -4.068 3.686 -4.067 1.00 0.00 C ATOM 968 O SER A 63 -4.787 4.507 -3.614 1.00 0.00 O ATOM 969 CB SER A 63 -5.017 1.389 -4.228 1.00 0.00 C ATOM 970 OG SER A 63 -5.572 0.439 -5.121 1.00 0.00 O ATOM 0 H SER A 63 -3.301 1.358 -5.835 1.00 0.00 H new ATOM 0 HA SER A 63 -5.514 3.078 -5.452 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.142 0.968 -3.732 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.738 1.633 -3.448 1.00 0.00 H new ATOM 0 HG SER A 63 -5.759 0.869 -5.982 1.00 0.00 H new ATOM 976 N ALA A 64 -2.785 3.682 -3.801 1.00 0.00 N ATOM 977 CA ALA A 64 -2.314 4.723 -2.896 1.00 0.00 C ATOM 978 C ALA A 64 -2.168 6.032 -3.637 1.00 0.00 C ATOM 979 O ALA A 64 -2.412 7.046 -3.101 1.00 0.00 O ATOM 980 CB ALA A 64 -1.083 4.370 -2.067 1.00 0.00 C ATOM 0 H ALA A 64 -2.088 3.029 -4.160 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.089 4.829 -2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.819 5.214 -1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.299 3.500 -1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.250 4.143 -2.732 1.00 0.00 H new ATOM 986 N ALA A 65 -1.878 6.001 -4.914 1.00 0.00 N ATOM 987 CA ALA A 65 -1.779 7.233 -5.709 1.00 0.00 C ATOM 988 C ALA A 65 -3.133 7.947 -5.737 1.00 0.00 C ATOM 989 O ALA A 65 -3.212 9.147 -5.985 1.00 0.00 O ATOM 990 CB ALA A 65 -1.360 6.924 -7.129 1.00 0.00 C ATOM 0 H ALA A 65 -1.704 5.144 -5.439 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.029 7.874 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.293 7.851 -7.699 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.388 6.431 -7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.097 6.267 -7.591 1.00 0.00 H new ATOM 996 N SER A 66 -4.186 7.187 -5.496 1.00 0.00 N ATOM 997 CA SER A 66 -5.513 7.737 -5.414 1.00 0.00 C ATOM 998 C SER A 66 -5.962 7.869 -3.944 1.00 0.00 C ATOM 999 O SER A 66 -6.324 8.945 -3.488 1.00 0.00 O ATOM 1000 CB SER A 66 -6.489 6.828 -6.175 1.00 0.00 C ATOM 1001 OG SER A 66 -6.045 6.590 -7.510 1.00 0.00 O ATOM 0 H SER A 66 -4.139 6.178 -5.353 1.00 0.00 H new ATOM 0 HA SER A 66 -5.508 8.731 -5.862 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.590 5.879 -5.649 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.477 7.288 -6.195 1.00 0.00 H new ATOM 0 HG SER A 66 -5.340 5.909 -7.504 1.00 0.00 H new ATOM 1007 N PHE A 67 -5.844 6.785 -3.189 1.00 0.00 N ATOM 1008 CA PHE A 67 -6.469 6.660 -1.859 1.00 0.00 C ATOM 1009 C PHE A 67 -5.434 6.770 -0.700 1.00 0.00 C ATOM 1010 O PHE A 67 -5.665 6.341 0.426 1.00 0.00 O ATOM 1011 CB PHE A 67 -7.183 5.294 -1.804 1.00 0.00 C ATOM 1012 CG PHE A 67 -8.108 5.003 -2.966 1.00 0.00 C ATOM 1013 CD1 PHE A 67 -9.299 5.683 -3.118 1.00 0.00 C ATOM 1014 CD2 PHE A 67 -7.774 4.044 -3.909 1.00 0.00 C ATOM 1015 CE1 PHE A 67 -10.134 5.408 -4.185 1.00 0.00 C ATOM 1016 CE2 PHE A 67 -8.601 3.765 -4.975 1.00 0.00 C ATOM 1017 CZ PHE A 67 -9.784 4.450 -5.115 1.00 0.00 C ATOM 0 H PHE A 67 -5.314 5.961 -3.473 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.172 7.481 -1.722 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.428 4.509 -1.756 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.758 5.240 -0.880 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -9.581 6.436 -2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.845 3.503 -3.806 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.065 5.945 -4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.321 3.012 -5.697 1.00 0.00 H new ATOM 0 HZ PHE A 67 -10.437 4.240 -5.949 1.00 0.00 H new ATOM 1027 N GLY A 68 -4.321 7.367 -0.997 1.00 0.00 N ATOM 1028 CA GLY A 68 -3.234 7.546 -0.031 1.00 0.00 C ATOM 1029 C GLY A 68 -2.131 8.278 -0.714 1.00 0.00 C ATOM 1030 O GLY A 68 -0.944 7.997 -0.540 1.00 0.00 O ATOM 0 H GLY A 68 -4.121 7.754 -1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.583 8.105 0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.883 6.580 0.332 1.00 0.00 H new ATOM 1034 N ALA A 69 -2.590 9.260 -1.460 1.00 0.00 N ATOM 1035 CA ALA A 69 -1.740 10.096 -2.320 1.00 0.00 C ATOM 1036 C ALA A 69 -0.865 11.046 -1.491 1.00 0.00 C ATOM 1037 O ALA A 69 -0.392 12.075 -1.977 1.00 0.00 O ATOM 1038 CB ALA A 69 -2.630 10.905 -3.256 1.00 0.00 C ATOM 0 H ALA A 69 -3.577 9.514 -1.495 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.078 9.446 -2.892 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.009 11.529 -3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.223 10.227 -3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.295 11.538 -2.669 1.00 0.00 H new ATOM 1044 N ASP A 70 -0.616 10.648 -0.270 1.00 0.00 N ATOM 1045 CA ASP A 70 0.040 11.429 0.712 1.00 0.00 C ATOM 1046 C ASP A 70 1.251 10.577 1.089 1.00 0.00 C ATOM 1047 O ASP A 70 1.909 10.034 0.169 1.00 0.00 O ATOM 1048 CB ASP A 70 -0.942 11.657 1.851 1.00 0.00 C ATOM 1049 CG ASP A 70 -0.490 12.696 2.834 1.00 0.00 C ATOM 1050 OD1 ASP A 70 -0.254 13.847 2.427 1.00 0.00 O ATOM 1051 OD2 ASP A 70 -0.335 12.368 4.007 1.00 0.00 O ATOM 0 H ASP A 70 -0.884 9.724 0.069 1.00 0.00 H new ATOM 0 HA ASP A 70 0.367 12.421 0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.904 11.956 1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.100 10.716 2.377 1.00 0.00 H new ATOM 1056 N ARG A 71 1.583 10.349 2.353 1.00 0.00 N ATOM 1057 CA ARG A 71 2.728 9.607 2.846 1.00 0.00 C ATOM 1058 C ARG A 71 2.928 8.254 2.244 1.00 0.00 C ATOM 1059 O ARG A 71 3.867 8.069 1.530 1.00 0.00 O ATOM 1060 CB ARG A 71 2.647 9.431 4.346 1.00 0.00 C ATOM 1061 CG ARG A 71 3.168 10.586 5.154 1.00 0.00 C ATOM 1062 CD ARG A 71 2.292 11.810 5.066 1.00 0.00 C ATOM 1063 NE ARG A 71 2.825 12.967 5.787 1.00 0.00 N ATOM 1064 CZ ARG A 71 2.168 14.122 5.940 1.00 0.00 C ATOM 1065 NH1 ARG A 71 0.964 14.283 5.406 1.00 0.00 N ATOM 1066 NH2 ARG A 71 2.721 15.114 6.625 1.00 0.00 N ATOM 0 H ARG A 71 1.011 10.708 3.117 1.00 0.00 H new ATOM 0 HA ARG A 71 3.579 10.219 2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.606 9.257 4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.203 8.535 4.621 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.255 10.282 6.197 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.171 10.839 4.811 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.159 12.076 4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.305 11.569 5.462 1.00 0.00 H new ATOM 0 HE ARG A 71 3.755 12.888 6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.535 13.524 4.876 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.467 15.166 5.525 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.647 14.996 7.035 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.220 15.995 6.742 1.00 0.00 H new ATOM 1080 N LEU A 72 2.010 7.344 2.494 1.00 0.00 N ATOM 1081 CA LEU A 72 2.186 5.922 2.106 1.00 0.00 C ATOM 1082 C LEU A 72 2.550 5.770 0.634 1.00 0.00 C ATOM 1083 O LEU A 72 3.225 4.836 0.246 1.00 0.00 O ATOM 1084 CB LEU A 72 0.955 5.056 2.429 1.00 0.00 C ATOM 1085 CG LEU A 72 -0.374 5.441 1.773 1.00 0.00 C ATOM 1086 CD1 LEU A 72 -1.368 4.311 1.897 1.00 0.00 C ATOM 1087 CD2 LEU A 72 -0.955 6.666 2.431 1.00 0.00 C ATOM 0 H LEU A 72 1.127 7.544 2.964 1.00 0.00 H new ATOM 0 HA LEU A 72 3.017 5.560 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.184 4.028 2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.812 5.065 3.509 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.179 5.649 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.308 4.600 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.973 3.423 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.542 4.094 2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.899 6.924 1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.129 6.464 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.258 7.498 2.331 1.00 0.00 H new ATOM 1099 N CYS A 73 2.173 6.770 -0.123 1.00 0.00 N ATOM 1100 CA CYS A 73 2.416 6.723 -1.555 1.00 0.00 C ATOM 1101 C CYS A 73 3.933 6.764 -1.810 1.00 0.00 C ATOM 1102 O CYS A 73 4.538 5.816 -2.325 1.00 0.00 O ATOM 1103 CB CYS A 73 1.694 7.889 -2.262 1.00 0.00 C ATOM 1104 SG CYS A 73 1.804 7.912 -4.070 1.00 0.00 S ATOM 0 H CYS A 73 1.706 7.612 0.212 1.00 0.00 H new ATOM 0 HA CYS A 73 2.017 5.796 -1.966 1.00 0.00 H new ATOM 0 HB2 CYS A 73 0.641 7.861 -1.982 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.100 8.826 -1.881 1.00 0.00 H new ATOM 0 HG CYS A 73 1.154 8.939 -4.531 1.00 0.00 H new ATOM 1110 N GLU A 74 4.572 7.779 -1.296 1.00 0.00 N ATOM 1111 CA GLU A 74 5.983 7.970 -1.636 1.00 0.00 C ATOM 1112 C GLU A 74 6.875 7.629 -0.467 1.00 0.00 C ATOM 1113 O GLU A 74 7.969 7.089 -0.631 1.00 0.00 O ATOM 1114 CB GLU A 74 6.214 9.399 -2.133 1.00 0.00 C ATOM 1115 CG GLU A 74 7.644 9.732 -2.510 1.00 0.00 C ATOM 1116 CD GLU A 74 7.815 11.178 -2.911 1.00 0.00 C ATOM 1117 OE1 GLU A 74 7.608 11.519 -4.092 1.00 0.00 O ATOM 1118 OE2 GLU A 74 8.158 12.005 -2.045 1.00 0.00 O ATOM 0 H GLU A 74 4.171 8.471 -0.663 1.00 0.00 H new ATOM 0 HA GLU A 74 6.246 7.287 -2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.578 9.571 -3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.890 10.093 -1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.299 9.512 -1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.958 9.090 -3.333 1.00 0.00 H new ATOM 1125 N ARG A 75 6.374 7.889 0.713 1.00 0.00 N ATOM 1126 CA ARG A 75 7.104 7.654 1.933 1.00 0.00 C ATOM 1127 C ARG A 75 7.283 6.146 2.084 1.00 0.00 C ATOM 1128 O ARG A 75 8.177 5.692 2.745 1.00 0.00 O ATOM 1129 CB ARG A 75 6.311 8.288 3.112 1.00 0.00 C ATOM 1130 CG ARG A 75 6.628 7.859 4.548 1.00 0.00 C ATOM 1131 CD ARG A 75 6.102 6.454 4.860 1.00 0.00 C ATOM 1132 NE ARG A 75 6.374 6.026 6.228 1.00 0.00 N ATOM 1133 CZ ARG A 75 6.909 4.842 6.576 1.00 0.00 C ATOM 1134 NH1 ARG A 75 7.394 4.007 5.654 1.00 0.00 N ATOM 1135 NH2 ARG A 75 6.985 4.511 7.860 1.00 0.00 N ATOM 0 H ARG A 75 5.440 8.273 0.856 1.00 0.00 H new ATOM 0 HA ARG A 75 8.092 8.113 1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.448 9.368 3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.253 8.092 2.938 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.707 7.885 4.704 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.188 8.573 5.244 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.026 6.430 4.686 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.553 5.743 4.168 1.00 0.00 H new ATOM 0 HE ARG A 75 6.140 6.675 6.979 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.362 4.263 4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.796 3.113 5.936 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.639 5.153 8.573 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.389 3.615 8.133 1.00 0.00 H new ATOM 1149 N ALA A 76 6.441 5.358 1.471 1.00 0.00 N ATOM 1150 CA ALA A 76 6.670 3.957 1.592 1.00 0.00 C ATOM 1151 C ALA A 76 7.612 3.576 0.489 1.00 0.00 C ATOM 1152 O ALA A 76 8.709 3.120 0.718 1.00 0.00 O ATOM 1153 CB ALA A 76 5.372 3.190 1.507 1.00 0.00 C ATOM 0 H ALA A 76 5.636 5.646 0.914 1.00 0.00 H new ATOM 0 HA ALA A 76 7.104 3.712 2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.573 2.123 1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.709 3.507 2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.896 3.385 0.546 1.00 0.00 H new ATOM 1159 N ILE A 77 7.203 3.913 -0.709 1.00 0.00 N ATOM 1160 CA ILE A 77 7.957 3.469 -1.861 1.00 0.00 C ATOM 1161 C ILE A 77 9.448 3.853 -1.875 1.00 0.00 C ATOM 1162 O ILE A 77 10.323 2.993 -2.072 1.00 0.00 O ATOM 1163 CB ILE A 77 7.209 3.652 -3.210 1.00 0.00 C ATOM 1164 CG1 ILE A 77 5.993 2.695 -3.302 1.00 0.00 C ATOM 1165 CG2 ILE A 77 8.143 3.342 -4.375 1.00 0.00 C ATOM 1166 CD1 ILE A 77 4.984 2.802 -2.177 1.00 0.00 C ATOM 0 H ILE A 77 6.377 4.476 -0.913 1.00 0.00 H new ATOM 0 HA ILE A 77 8.012 2.388 -1.731 1.00 0.00 H new ATOM 0 HB ILE A 77 6.868 4.686 -3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.479 2.881 -4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.363 1.670 -3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.608 3.474 -5.315 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.998 4.018 -4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.492 2.312 -4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.177 2.088 -2.343 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.473 2.583 -1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.575 3.812 -2.150 1.00 0.00 H new ATOM 1178 N ALA A 78 9.760 5.039 -1.432 1.00 0.00 N ATOM 1179 CA ALA A 78 11.097 5.557 -1.510 1.00 0.00 C ATOM 1180 C ALA A 78 11.755 5.460 -0.150 1.00 0.00 C ATOM 1181 O ALA A 78 12.921 5.089 -0.026 1.00 0.00 O ATOM 1182 CB ALA A 78 11.090 7.000 -2.001 1.00 0.00 C ATOM 0 H ALA A 78 9.089 5.677 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 78 11.666 4.964 -2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.113 7.372 -2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.637 7.045 -2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.514 7.616 -1.311 1.00 0.00 H new ATOM 1188 N ILE A 79 10.961 5.693 0.880 1.00 0.00 N ATOM 1189 CA ILE A 79 11.476 5.850 2.218 1.00 0.00 C ATOM 1190 C ILE A 79 11.675 4.515 2.911 1.00 0.00 C ATOM 1191 O ILE A 79 12.576 4.365 3.808 1.00 0.00 O ATOM 1192 CB ILE A 79 10.616 6.838 3.002 1.00 0.00 C ATOM 1193 CG1 ILE A 79 10.551 8.157 2.227 1.00 0.00 C ATOM 1194 CG2 ILE A 79 11.092 7.049 4.437 1.00 0.00 C ATOM 1195 CD1 ILE A 79 11.878 8.884 2.070 1.00 0.00 C ATOM 0 H ILE A 79 9.947 5.777 0.808 1.00 0.00 H new ATOM 0 HA ILE A 79 12.475 6.282 2.164 1.00 0.00 H new ATOM 0 HB ILE A 79 9.616 6.415 3.098 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.145 7.957 1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 79 9.849 8.821 2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.437 7.762 4.937 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.069 6.099 4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.111 7.436 4.429 1.00 0.00 H new ATOM 0 HD11 ILE A 79 11.724 9.805 1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.281 9.123 3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.582 8.246 1.536 1.00 0.00 H new ATOM 1207 N ASP A 80 11.270 3.464 2.240 1.00 0.00 N ATOM 1208 CA ASP A 80 11.381 2.135 2.632 1.00 0.00 C ATOM 1209 C ASP A 80 12.466 1.586 1.951 1.00 0.00 C ATOM 1210 O ASP A 80 13.461 1.384 2.588 1.00 0.00 O ATOM 1211 CB ASP A 80 10.094 1.293 2.577 1.00 0.00 C ATOM 1212 CG ASP A 80 9.138 1.606 3.735 1.00 0.00 C ATOM 1213 OD1 ASP A 80 8.308 2.524 3.618 1.00 0.00 O ATOM 1214 OD2 ASP A 80 9.221 0.951 4.802 1.00 0.00 O ATOM 0 H ASP A 80 10.819 3.557 1.330 1.00 0.00 H new ATOM 0 HA ASP A 80 11.564 2.115 3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.585 1.475 1.630 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.355 0.235 2.601 1.00 0.00 H new ATOM 1219 N LYS A 81 12.374 1.603 0.620 1.00 0.00 N ATOM 1220 CA LYS A 81 13.380 0.974 -0.212 1.00 0.00 C ATOM 1221 C LYS A 81 14.780 1.242 0.306 1.00 0.00 C ATOM 1222 O LYS A 81 15.478 0.289 0.671 1.00 0.00 O ATOM 1223 CB LYS A 81 13.255 1.326 -1.708 1.00 0.00 C ATOM 1224 CG LYS A 81 13.593 2.762 -2.082 1.00 0.00 C ATOM 1225 CD LYS A 81 13.508 2.968 -3.585 1.00 0.00 C ATOM 1226 CE LYS A 81 13.907 4.378 -3.984 1.00 0.00 C ATOM 1227 NZ LYS A 81 13.917 4.546 -5.455 1.00 0.00 N ATOM 0 H LYS A 81 11.613 2.046 0.104 1.00 0.00 H new ATOM 0 HA LYS A 81 13.191 -0.097 -0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.907 0.660 -2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.233 1.119 -2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.907 3.444 -1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.597 3.005 -1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.157 2.251 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.491 2.769 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.213 5.092 -3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.896 4.604 -3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.194 5.520 -5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 14.597 3.881 -5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.967 4.355 -5.833 1.00 0.00 H new ATOM 1241 N LYS A 82 15.031 2.491 0.732 1.00 0.00 N ATOM 1242 CA LYS A 82 16.360 2.945 0.986 1.00 0.00 C ATOM 1243 C LYS A 82 16.839 2.435 2.346 1.00 0.00 C ATOM 1244 O LYS A 82 17.790 1.644 2.425 1.00 0.00 O ATOM 1245 CB LYS A 82 16.484 4.468 0.767 1.00 0.00 C ATOM 1246 CG LYS A 82 15.524 5.343 1.551 1.00 0.00 C ATOM 1247 CD LYS A 82 15.991 5.598 2.956 1.00 0.00 C ATOM 1248 CE LYS A 82 15.205 6.692 3.656 1.00 0.00 C ATOM 1249 NZ LYS A 82 15.798 7.032 4.978 1.00 0.00 N ATOM 0 H LYS A 82 14.308 3.190 0.901 1.00 0.00 H new ATOM 0 HA LYS A 82 17.048 2.516 0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.502 4.767 1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.344 4.673 -0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.401 6.295 1.034 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.544 4.867 1.579 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.911 4.676 3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.046 5.872 2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.181 7.582 3.028 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.173 6.369 3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.321 7.870 5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.676 6.231 5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.812 7.233 4.862 1.00 0.00 H new ATOM 1263 N ALA A 83 16.053 2.598 3.393 1.00 0.00 N ATOM 1264 CA ALA A 83 16.614 2.244 4.685 1.00 0.00 C ATOM 1265 C ALA A 83 15.609 1.512 5.445 1.00 0.00 C ATOM 1266 O ALA A 83 15.901 0.673 6.239 1.00 0.00 O ATOM 1267 CB ALA A 83 17.091 3.459 5.447 1.00 0.00 C ATOM 0 H ALA A 83 15.094 2.946 3.386 1.00 0.00 H new ATOM 0 HA ALA A 83 17.491 1.615 4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 83 17.503 3.148 6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.861 3.971 4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 83 16.253 4.136 5.614 1.00 0.00 H new ATOM 1273 N LYS A 84 14.429 1.903 5.245 1.00 0.00 N ATOM 1274 CA LYS A 84 13.455 1.068 5.810 1.00 0.00 C ATOM 1275 C LYS A 84 13.588 -0.394 5.309 1.00 0.00 C ATOM 1276 O LYS A 84 13.611 -1.303 6.135 1.00 0.00 O ATOM 1277 CB LYS A 84 12.095 1.677 5.741 1.00 0.00 C ATOM 1278 CG LYS A 84 11.646 2.276 7.015 1.00 0.00 C ATOM 1279 CD LYS A 84 11.462 1.214 8.085 1.00 0.00 C ATOM 1280 CE LYS A 84 10.283 0.305 7.764 1.00 0.00 C ATOM 1281 NZ LYS A 84 9.911 -0.569 8.906 1.00 0.00 N ATOM 0 H LYS A 84 14.118 2.730 4.736 1.00 0.00 H new ATOM 0 HA LYS A 84 13.637 0.983 6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.089 2.445 4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.380 0.913 5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.376 3.012 7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.707 2.806 6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.371 0.618 8.170 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.303 1.692 9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.424 0.915 7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.530 -0.315 6.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.197 -1.259 8.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.755 -1.072 9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.520 0.012 9.675 1.00 0.00 H new ATOM 1295 N ALA A 85 13.862 -0.637 4.012 1.00 0.00 N ATOM 1296 CA ALA A 85 13.967 -1.969 3.561 1.00 0.00 C ATOM 1297 C ALA A 85 15.350 -2.518 3.852 1.00 0.00 C ATOM 1298 O ALA A 85 15.481 -3.697 4.244 1.00 0.00 O ATOM 1299 CB ALA A 85 13.706 -1.991 2.076 1.00 0.00 C ATOM 0 H ALA A 85 14.006 0.079 3.300 1.00 0.00 H new ATOM 0 HA ALA A 85 13.238 -2.592 4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.783 -3.014 1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.705 -1.608 1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 85 14.441 -1.367 1.568 1.00 0.00 H new ATOM 1305 N ASN A 86 16.413 -1.688 3.801 1.00 0.00 N ATOM 1306 CA ASN A 86 17.721 -2.297 4.018 1.00 0.00 C ATOM 1307 C ASN A 86 18.296 -2.086 5.378 1.00 0.00 C ATOM 1308 O ASN A 86 19.273 -2.725 5.752 1.00 0.00 O ATOM 1309 CB ASN A 86 18.717 -1.841 2.989 1.00 0.00 C ATOM 1310 CG ASN A 86 18.626 -2.606 1.666 1.00 0.00 C ATOM 1311 OD1 ASN A 86 18.290 -3.900 1.715 1.00 0.00 O flip ATOM 1312 ND2 ASN A 86 18.896 -2.045 0.598 1.00 0.00 N flip ATOM 0 H ASN A 86 16.394 -0.683 3.627 1.00 0.00 H new ATOM 0 HA ASN A 86 17.533 -3.366 3.921 1.00 0.00 H new ATOM 0 HB2 ASN A 86 18.567 -0.779 2.796 1.00 0.00 H new ATOM 0 HB3 ASN A 86 19.723 -1.952 3.395 1.00 0.00 H new ATOM 0 HD21 ASN A 86 19.149 -1.057 0.591 1.00 0.00 H new ATOM 0 HD22 ASN A 86 18.866 -2.570 -0.276 1.00 0.00 H new ATOM 1319 N GLN A 87 17.732 -1.201 6.121 1.00 0.00 N ATOM 1320 CA GLN A 87 18.218 -0.981 7.438 1.00 0.00 C ATOM 1321 C GLN A 87 17.486 -1.910 8.366 1.00 0.00 C ATOM 1322 O GLN A 87 17.906 -2.109 9.498 1.00 0.00 O ATOM 1323 CB GLN A 87 18.161 0.504 7.832 1.00 0.00 C ATOM 1324 CG GLN A 87 18.770 0.872 9.159 1.00 0.00 C ATOM 1325 CD GLN A 87 17.742 1.103 10.272 1.00 0.00 C ATOM 1326 OE1 GLN A 87 16.617 0.405 10.227 1.00 0.00 O flip ATOM 1327 NE2 GLN A 87 17.970 1.913 11.179 1.00 0.00 N flip ATOM 0 H GLN A 87 16.940 -0.621 5.844 1.00 0.00 H new ATOM 0 HA GLN A 87 19.280 -1.218 7.503 1.00 0.00 H new ATOM 0 HB2 GLN A 87 18.661 1.082 7.055 1.00 0.00 H new ATOM 0 HB3 GLN A 87 17.116 0.815 7.838 1.00 0.00 H new ATOM 0 HG2 GLN A 87 19.452 0.079 9.467 1.00 0.00 H new ATOM 0 HG3 GLN A 87 19.367 1.776 9.036 1.00 0.00 H new ATOM 0 HE21 GLN A 87 18.846 2.436 11.187 1.00 0.00 H new ATOM 0 HE22 GLN A 87 17.282 2.057 11.918 1.00 0.00 H new ATOM 1336 N LEU A 88 16.380 -2.522 7.910 1.00 0.00 N ATOM 1337 CA LEU A 88 15.782 -3.598 8.636 1.00 0.00 C ATOM 1338 C LEU A 88 16.717 -4.782 8.522 1.00 0.00 C ATOM 1339 O LEU A 88 17.257 -5.272 9.519 1.00 0.00 O ATOM 1340 CB LEU A 88 14.386 -3.982 8.070 1.00 0.00 C ATOM 1341 CG LEU A 88 13.231 -3.060 8.436 1.00 0.00 C ATOM 1342 CD1 LEU A 88 11.949 -3.542 7.790 1.00 0.00 C ATOM 1343 CD2 LEU A 88 13.073 -2.990 9.938 1.00 0.00 C ATOM 0 H LEU A 88 15.902 -2.274 7.044 1.00 0.00 H new ATOM 0 HA LEU A 88 15.631 -3.295 9.672 1.00 0.00 H new ATOM 0 HB2 LEU A 88 14.458 -4.025 6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 88 14.143 -4.987 8.413 1.00 0.00 H new ATOM 0 HG LEU A 88 13.450 -2.059 8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.132 -2.873 8.060 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.068 -3.550 6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.723 -4.550 8.138 1.00 0.00 H new ATOM 0 HD21 LEU A 88 12.244 -2.327 10.186 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.871 -3.987 10.329 1.00 0.00 H new ATOM 0 HD23 LEU A 88 13.991 -2.605 10.383 1.00 0.00 H new ATOM 1355 N GLN A 89 16.919 -5.244 7.296 1.00 0.00 N ATOM 1356 CA GLN A 89 17.650 -6.436 6.940 1.00 0.00 C ATOM 1357 C GLN A 89 18.655 -6.115 5.829 1.00 0.00 C ATOM 1358 O GLN A 89 18.300 -5.461 4.829 1.00 0.00 O ATOM 1359 CB GLN A 89 16.617 -7.421 6.417 1.00 0.00 C ATOM 1360 CG GLN A 89 15.611 -6.713 5.529 1.00 0.00 C ATOM 1361 CD GLN A 89 14.224 -7.261 5.586 1.00 0.00 C ATOM 1362 OE1 GLN A 89 13.981 -8.457 5.731 1.00 0.00 O ATOM 1363 NE2 GLN A 89 13.289 -6.350 5.526 1.00 0.00 N ATOM 0 H GLN A 89 16.550 -4.760 6.477 1.00 0.00 H new ATOM 0 HA GLN A 89 18.199 -6.837 7.792 1.00 0.00 H new ATOM 0 HB2 GLN A 89 17.112 -8.213 5.856 1.00 0.00 H new ATOM 0 HB3 GLN A 89 16.103 -7.896 7.253 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.581 -5.660 5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.962 -6.760 4.498 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.540 -5.369 5.405 1.00 0.00 H new ATOM 0 HE22 GLN A 89 12.308 -6.620 5.600 1.00 0.00 H new ATOM 1372 N GLU A 90 19.883 -6.598 5.973 1.00 0.00 N ATOM 1373 CA GLU A 90 20.917 -6.382 4.956 1.00 0.00 C ATOM 1374 C GLU A 90 20.546 -7.161 3.700 1.00 0.00 C ATOM 1375 O GLU A 90 20.795 -6.718 2.584 1.00 0.00 O ATOM 1376 CB GLU A 90 22.302 -6.846 5.452 1.00 0.00 C ATOM 1377 CG GLU A 90 22.369 -8.333 5.789 1.00 0.00 C ATOM 1378 CD GLU A 90 23.756 -8.846 6.041 1.00 0.00 C ATOM 1379 OE1 GLU A 90 24.415 -9.286 5.077 1.00 0.00 O ATOM 1380 OE2 GLU A 90 24.191 -8.883 7.203 1.00 0.00 O ATOM 0 H GLU A 90 20.191 -7.141 6.780 1.00 0.00 H new ATOM 0 HA GLU A 90 20.974 -5.314 4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 90 23.045 -6.623 4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 90 22.572 -6.270 6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 90 21.758 -8.522 6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 90 21.928 -8.900 4.969 1.00 0.00 H new ATOM 1387 N GLN A 91 19.907 -8.309 3.947 1.00 0.00 N ATOM 1388 CA GLN A 91 19.467 -9.295 2.959 1.00 0.00 C ATOM 1389 C GLN A 91 18.674 -8.686 1.798 1.00 0.00 C ATOM 1390 O GLN A 91 18.693 -9.206 0.686 1.00 0.00 O ATOM 1391 CB GLN A 91 18.631 -10.358 3.674 1.00 0.00 C ATOM 1392 CG GLN A 91 19.354 -11.020 4.846 1.00 0.00 C ATOM 1393 CD GLN A 91 18.507 -12.036 5.585 1.00 0.00 C ATOM 1394 OE1 GLN A 91 17.636 -12.682 5.012 1.00 0.00 O ATOM 1395 NE2 GLN A 91 18.747 -12.178 6.866 1.00 0.00 N ATOM 0 H GLN A 91 19.670 -8.590 4.898 1.00 0.00 H new ATOM 0 HA GLN A 91 20.358 -9.734 2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 91 17.711 -9.900 4.038 1.00 0.00 H new ATOM 0 HB3 GLN A 91 18.343 -11.125 2.956 1.00 0.00 H new ATOM 0 HG2 GLN A 91 20.255 -11.510 4.476 1.00 0.00 H new ATOM 0 HG3 GLN A 91 19.675 -10.249 5.546 1.00 0.00 H new ATOM 0 HE21 GLN A 91 19.479 -11.625 7.312 1.00 0.00 H new ATOM 0 HE22 GLN A 91 18.202 -12.841 7.417 1.00 0.00 H new ATOM 1404 N GLY A 92 18.055 -7.549 2.023 1.00 0.00 N ATOM 1405 CA GLY A 92 17.269 -6.993 0.958 1.00 0.00 C ATOM 1406 C GLY A 92 15.796 -7.287 1.078 1.00 0.00 C ATOM 1407 O GLY A 92 15.217 -7.907 0.194 1.00 0.00 O ATOM 0 H GLY A 92 18.079 -7.016 2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 92 17.415 -5.913 0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.633 -7.383 0.007 1.00 0.00 H new ATOM 1411 N MET A 93 15.203 -6.632 2.097 1.00 0.00 N ATOM 1412 CA MET A 93 13.777 -6.718 2.448 1.00 0.00 C ATOM 1413 C MET A 93 13.147 -8.091 2.205 1.00 0.00 C ATOM 1414 O MET A 93 11.936 -8.211 2.065 1.00 0.00 O ATOM 1415 CB MET A 93 12.944 -5.593 1.816 1.00 0.00 C ATOM 1416 CG MET A 93 13.199 -5.241 0.338 1.00 0.00 C ATOM 1417 SD MET A 93 14.816 -4.445 0.049 1.00 0.00 S ATOM 1418 CE MET A 93 14.730 -4.096 -1.698 1.00 0.00 C ATOM 0 H MET A 93 15.723 -6.010 2.716 1.00 0.00 H new ATOM 0 HA MET A 93 13.757 -6.576 3.529 1.00 0.00 H new ATOM 0 HB2 MET A 93 11.892 -5.860 1.918 1.00 0.00 H new ATOM 0 HB3 MET A 93 13.102 -4.690 2.406 1.00 0.00 H new ATOM 0 HG2 MET A 93 13.138 -6.150 -0.260 1.00 0.00 H new ATOM 0 HG3 MET A 93 12.408 -4.577 -0.011 1.00 0.00 H new ATOM 0 HE1 MET A 93 15.738 -4.053 -2.110 1.00 0.00 H new ATOM 0 HE2 MET A 93 14.166 -4.883 -2.199 1.00 0.00 H new ATOM 0 HE3 MET A 93 14.233 -3.139 -1.854 1.00 0.00 H new ATOM 1428 N GLU A 94 13.962 -9.121 2.366 1.00 0.00 N ATOM 1429 CA GLU A 94 13.663 -10.486 1.962 1.00 0.00 C ATOM 1430 C GLU A 94 12.738 -11.216 2.868 1.00 0.00 C ATOM 1431 O GLU A 94 12.676 -12.445 2.811 1.00 0.00 O ATOM 1432 CB GLU A 94 14.954 -11.256 1.852 1.00 0.00 C ATOM 1433 CG GLU A 94 15.820 -10.704 0.799 1.00 0.00 C ATOM 1434 CD GLU A 94 16.907 -11.633 0.333 1.00 0.00 C ATOM 1435 OE1 GLU A 94 17.670 -12.155 1.156 1.00 0.00 O ATOM 1436 OE2 GLU A 94 17.000 -11.865 -0.893 1.00 0.00 O ATOM 0 H GLU A 94 14.882 -9.027 2.796 1.00 0.00 H new ATOM 0 HA GLU A 94 13.146 -10.411 1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.478 -11.229 2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.738 -12.302 1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.202 -10.431 -0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.278 -9.786 1.167 1.00 0.00 H new ATOM 1443 N THR A 95 11.987 -10.496 3.666 1.00 0.00 N ATOM 1444 CA THR A 95 11.061 -11.054 4.584 1.00 0.00 C ATOM 1445 C THR A 95 10.422 -9.989 5.422 1.00 0.00 C ATOM 1446 O THR A 95 9.228 -9.720 5.267 1.00 0.00 O ATOM 1447 CB THR A 95 11.650 -12.224 5.419 1.00 0.00 C ATOM 1448 OG1 THR A 95 10.690 -12.758 6.337 1.00 0.00 O ATOM 1449 CG2 THR A 95 12.960 -11.887 6.136 1.00 0.00 C ATOM 0 H THR A 95 12.014 -9.477 3.684 1.00 0.00 H new ATOM 0 HA THR A 95 10.268 -11.514 3.995 1.00 0.00 H new ATOM 0 HB THR A 95 11.898 -12.992 4.687 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.095 -13.493 6.843 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.303 -12.757 6.696 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.715 -11.607 5.402 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.796 -11.056 6.822 1.00 0.00 H new ATOM 1457 N SER A 96 11.198 -9.290 6.210 1.00 0.00 N ATOM 1458 CA SER A 96 10.570 -8.495 7.218 1.00 0.00 C ATOM 1459 C SER A 96 10.007 -7.201 6.742 1.00 0.00 C ATOM 1460 O SER A 96 9.243 -6.559 7.456 1.00 0.00 O ATOM 1461 CB SER A 96 11.429 -8.369 8.450 1.00 0.00 C ATOM 1462 OG SER A 96 12.698 -7.806 8.173 1.00 0.00 O ATOM 0 H SER A 96 12.217 -9.257 6.175 1.00 0.00 H new ATOM 0 HA SER A 96 9.681 -9.053 7.510 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.914 -7.751 9.186 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.562 -9.354 8.898 1.00 0.00 H new ATOM 0 HG SER A 96 13.216 -7.744 9.002 1.00 0.00 H new ATOM 1468 N GLU A 97 10.379 -6.781 5.557 1.00 0.00 N ATOM 1469 CA GLU A 97 9.747 -5.596 5.076 1.00 0.00 C ATOM 1470 C GLU A 97 8.541 -5.995 4.246 1.00 0.00 C ATOM 1471 O GLU A 97 7.419 -5.649 4.575 1.00 0.00 O ATOM 1472 CB GLU A 97 10.768 -4.745 4.334 1.00 0.00 C ATOM 1473 CG GLU A 97 10.255 -3.445 3.733 1.00 0.00 C ATOM 1474 CD GLU A 97 10.006 -3.564 2.248 1.00 0.00 C ATOM 1475 OE1 GLU A 97 8.948 -4.072 1.854 1.00 0.00 O ATOM 1476 OE2 GLU A 97 10.910 -3.191 1.473 1.00 0.00 O ATOM 0 H GLU A 97 11.072 -7.215 4.947 1.00 0.00 H new ATOM 0 HA GLU A 97 9.375 -4.973 5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 97 11.579 -4.507 5.022 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.196 -5.347 3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.331 -3.155 4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.979 -2.651 3.916 1.00 0.00 H new ATOM 1483 N MET A 98 8.786 -6.807 3.245 1.00 0.00 N ATOM 1484 CA MET A 98 7.790 -7.257 2.268 1.00 0.00 C ATOM 1485 C MET A 98 6.512 -7.871 2.938 1.00 0.00 C ATOM 1486 O MET A 98 5.403 -7.469 2.654 1.00 0.00 O ATOM 1487 CB MET A 98 8.446 -8.283 1.297 1.00 0.00 C ATOM 1488 CG MET A 98 8.858 -9.606 1.914 1.00 0.00 C ATOM 1489 SD MET A 98 9.531 -10.750 0.711 1.00 0.00 S ATOM 1490 CE MET A 98 9.786 -12.200 1.719 1.00 0.00 C ATOM 0 H MET A 98 9.714 -7.193 3.072 1.00 0.00 H new ATOM 0 HA MET A 98 7.453 -6.381 1.714 1.00 0.00 H new ATOM 0 HB2 MET A 98 7.747 -8.484 0.485 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.327 -7.821 0.852 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.600 -9.424 2.691 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.994 -10.061 2.398 1.00 0.00 H new ATOM 0 HE1 MET A 98 10.728 -12.674 1.442 1.00 0.00 H new ATOM 0 HE2 MET A 98 9.820 -11.911 2.770 1.00 0.00 H new ATOM 0 HE3 MET A 98 8.966 -12.901 1.562 1.00 0.00 H new ATOM 1500 N LEU A 99 6.692 -8.857 3.823 1.00 0.00 N ATOM 1501 CA LEU A 99 5.538 -9.545 4.441 1.00 0.00 C ATOM 1502 C LEU A 99 4.783 -8.609 5.388 1.00 0.00 C ATOM 1503 O LEU A 99 3.540 -8.715 5.589 1.00 0.00 O ATOM 1504 CB LEU A 99 6.044 -10.759 5.211 1.00 0.00 C ATOM 1505 CG LEU A 99 6.970 -11.693 4.428 1.00 0.00 C ATOM 1506 CD1 LEU A 99 7.509 -12.790 5.328 1.00 0.00 C ATOM 1507 CD2 LEU A 99 6.279 -12.253 3.181 1.00 0.00 C ATOM 0 H LEU A 99 7.604 -9.197 4.127 1.00 0.00 H new ATOM 0 HA LEU A 99 4.849 -9.857 3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 99 6.573 -10.411 6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.184 -11.333 5.557 1.00 0.00 H new ATOM 0 HG LEU A 99 7.822 -11.112 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.165 -13.443 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.070 -12.344 6.149 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.679 -13.372 5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.966 -12.912 2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.393 -12.815 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.986 -11.431 2.528 1.00 0.00 H new ATOM 1519 N ALA A 100 5.552 -7.697 5.966 1.00 0.00 N ATOM 1520 CA ALA A 100 5.039 -6.684 6.858 1.00 0.00 C ATOM 1521 C ALA A 100 3.893 -5.950 6.211 1.00 0.00 C ATOM 1522 O ALA A 100 2.902 -5.686 6.876 1.00 0.00 O ATOM 1523 CB ALA A 100 6.127 -5.712 7.283 1.00 0.00 C ATOM 0 H ALA A 100 6.561 -7.645 5.823 1.00 0.00 H new ATOM 0 HA ALA A 100 4.675 -7.182 7.757 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.705 -4.964 7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.919 -6.255 7.798 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.539 -5.219 6.402 1.00 0.00 H new ATOM 1529 N LEU A 101 4.005 -5.728 4.890 1.00 0.00 N ATOM 1530 CA LEU A 101 2.985 -5.041 4.083 1.00 0.00 C ATOM 1531 C LEU A 101 1.604 -5.492 4.436 1.00 0.00 C ATOM 1532 O LEU A 101 0.758 -4.667 4.709 1.00 0.00 O ATOM 1533 CB LEU A 101 3.161 -5.270 2.591 1.00 0.00 C ATOM 1534 CG LEU A 101 4.165 -4.369 1.826 1.00 0.00 C ATOM 1535 CD1 LEU A 101 3.559 -3.005 1.566 1.00 0.00 C ATOM 1536 CD2 LEU A 101 5.466 -4.179 2.588 1.00 0.00 C ATOM 0 H LEU A 101 4.816 -6.025 4.348 1.00 0.00 H new ATOM 0 HA LEU A 101 3.117 -3.983 4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.466 -6.306 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.185 -5.157 2.119 1.00 0.00 H new ATOM 0 HG LEU A 101 4.383 -4.876 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.276 -2.385 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.655 -3.117 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.309 -2.531 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.136 -3.541 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.259 -3.711 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.938 -5.148 2.749 1.00 0.00 H new ATOM 1548 N LEU A 102 1.392 -6.793 4.494 1.00 0.00 N ATOM 1549 CA LEU A 102 0.080 -7.298 4.796 1.00 0.00 C ATOM 1550 C LEU A 102 -0.376 -6.959 6.215 1.00 0.00 C ATOM 1551 O LEU A 102 -1.505 -6.485 6.388 1.00 0.00 O ATOM 1552 CB LEU A 102 -0.067 -8.789 4.526 1.00 0.00 C ATOM 1553 CG LEU A 102 -1.370 -9.384 5.058 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -2.573 -8.939 4.226 1.00 0.00 C ATOM 1555 CD2 LEU A 102 -1.296 -10.895 5.185 1.00 0.00 C ATOM 0 H LEU A 102 2.105 -7.505 4.337 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.582 -6.778 4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.011 -8.962 3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.774 -9.316 4.978 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.513 -8.992 6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.482 -9.382 4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -2.654 -7.852 4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.442 -9.265 3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.244 -11.275 5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.097 -11.333 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.494 -11.163 5.873 1.00 0.00 H new ATOM 1567 N HIS A 103 0.471 -7.194 7.230 1.00 0.00 N ATOM 1568 CA HIS A 103 0.022 -6.921 8.596 1.00 0.00 C ATOM 1569 C HIS A 103 -0.287 -5.429 8.742 1.00 0.00 C ATOM 1570 O HIS A 103 -1.276 -5.052 9.349 1.00 0.00 O ATOM 1571 CB HIS A 103 1.021 -7.422 9.694 1.00 0.00 C ATOM 1572 CG HIS A 103 2.128 -6.468 10.092 1.00 0.00 C ATOM 1573 ND1 HIS A 103 3.386 -6.547 9.567 1.00 0.00 N ATOM 1574 CD2 HIS A 103 2.082 -5.419 10.954 1.00 0.00 C ATOM 1575 CE1 HIS A 103 4.066 -5.543 10.103 1.00 0.00 C ATOM 1576 NE2 HIS A 103 3.323 -4.842 10.948 1.00 0.00 N ATOM 0 H HIS A 103 1.421 -7.554 7.138 1.00 0.00 H new ATOM 0 HA HIS A 103 -0.889 -7.496 8.764 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.448 -7.670 10.587 1.00 0.00 H new ATOM 0 HB3 HIS A 103 1.479 -8.346 9.342 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.228 -5.101 11.534 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.099 -5.323 9.879 1.00 0.00 H new ATOM 0 HE2 HIS A 103 3.619 -4.030 11.489 1.00 0.00 H new ATOM 1584 N ILE A 104 0.525 -4.610 8.088 1.00 0.00 N ATOM 1585 CA ILE A 104 0.375 -3.155 8.184 1.00 0.00 C ATOM 1586 C ILE A 104 -0.819 -2.671 7.379 1.00 0.00 C ATOM 1587 O ILE A 104 -1.622 -1.873 7.857 1.00 0.00 O ATOM 1588 CB ILE A 104 1.713 -2.343 7.879 1.00 0.00 C ATOM 1589 CG1 ILE A 104 1.514 -0.819 7.732 1.00 0.00 C ATOM 1590 CG2 ILE A 104 2.451 -2.853 6.668 1.00 0.00 C ATOM 1591 CD1 ILE A 104 1.180 -0.377 6.304 1.00 0.00 C ATOM 0 H ILE A 104 1.290 -4.920 7.489 1.00 0.00 H new ATOM 0 HA ILE A 104 0.168 -2.936 9.231 1.00 0.00 H new ATOM 0 HB ILE A 104 2.316 -2.519 8.770 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.713 -0.500 8.398 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.421 -0.310 8.058 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.352 -2.259 6.514 1.00 0.00 H new ATOM 0 HG22 ILE A 104 2.726 -3.896 6.822 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.809 -2.773 5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.054 0.705 6.278 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.991 -0.664 5.635 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.256 -0.857 5.981 1.00 0.00 H new ATOM 1603 N THR A 105 -0.978 -3.233 6.206 1.00 0.00 N ATOM 1604 CA THR A 105 -2.043 -2.806 5.334 1.00 0.00 C ATOM 1605 C THR A 105 -3.402 -3.269 5.862 1.00 0.00 C ATOM 1606 O THR A 105 -4.336 -2.498 5.910 1.00 0.00 O ATOM 1607 CB THR A 105 -1.807 -3.249 3.855 1.00 0.00 C ATOM 1608 OG1 THR A 105 -2.693 -2.568 2.963 1.00 0.00 O ATOM 1609 CG2 THR A 105 -2.035 -4.728 3.686 1.00 0.00 C ATOM 0 H THR A 105 -0.390 -3.980 5.836 1.00 0.00 H new ATOM 0 HA THR A 105 -2.045 -1.716 5.330 1.00 0.00 H new ATOM 0 HB THR A 105 -0.773 -3.000 3.618 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.945 -1.703 3.349 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.863 -5.006 2.646 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.346 -5.278 4.327 1.00 0.00 H new ATOM 0 HG23 THR A 105 -3.061 -4.972 3.962 1.00 0.00 H new ATOM 1617 N ARG A 106 -3.495 -4.491 6.356 1.00 0.00 N ATOM 1618 CA ARG A 106 -4.806 -4.948 6.755 1.00 0.00 C ATOM 1619 C ARG A 106 -5.164 -4.364 8.110 1.00 0.00 C ATOM 1620 O ARG A 106 -6.317 -4.187 8.441 1.00 0.00 O ATOM 1621 CB ARG A 106 -4.970 -6.472 6.716 1.00 0.00 C ATOM 1622 CG ARG A 106 -4.621 -7.216 7.996 1.00 0.00 C ATOM 1623 CD ARG A 106 -5.010 -8.680 7.882 1.00 0.00 C ATOM 1624 NE ARG A 106 -5.082 -9.341 9.190 1.00 0.00 N ATOM 1625 CZ ARG A 106 -5.512 -10.595 9.377 1.00 0.00 C ATOM 1626 NH1 ARG A 106 -5.787 -11.373 8.342 1.00 0.00 N ATOM 1627 NH2 ARG A 106 -5.676 -11.063 10.605 1.00 0.00 N ATOM 0 H ARG A 106 -2.726 -5.149 6.484 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.515 -4.580 6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.004 -6.699 6.458 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.348 -6.863 5.911 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.552 -7.132 8.193 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -5.138 -6.761 8.841 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -5.976 -8.759 7.384 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.285 -9.198 7.255 1.00 0.00 H new ATOM 0 HE ARG A 106 -4.785 -8.811 10.009 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.672 -11.018 7.393 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.114 -12.327 8.494 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.475 -10.468 11.409 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -6.004 -12.018 10.747 1.00 0.00 H new ATOM 1641 N ASP A 107 -4.170 -4.078 8.903 1.00 0.00 N ATOM 1642 CA ASP A 107 -4.420 -3.428 10.166 1.00 0.00 C ATOM 1643 C ASP A 107 -4.941 -2.008 9.938 1.00 0.00 C ATOM 1644 O ASP A 107 -6.066 -1.640 10.342 1.00 0.00 O ATOM 1645 CB ASP A 107 -3.145 -3.411 10.994 1.00 0.00 C ATOM 1646 CG ASP A 107 -3.357 -2.841 12.369 1.00 0.00 C ATOM 1647 OD1 ASP A 107 -3.896 -3.556 13.239 1.00 0.00 O ATOM 1648 OD2 ASP A 107 -2.965 -1.689 12.624 1.00 0.00 O ATOM 0 H ASP A 107 -3.190 -4.280 8.705 1.00 0.00 H new ATOM 0 HA ASP A 107 -5.183 -3.983 10.712 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.759 -4.427 11.081 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.387 -2.825 10.475 1.00 0.00 H new ATOM 1653 N ALA A 108 -4.163 -1.252 9.210 1.00 0.00 N ATOM 1654 CA ALA A 108 -4.444 0.130 8.937 1.00 0.00 C ATOM 1655 C ALA A 108 -5.673 0.305 8.035 1.00 0.00 C ATOM 1656 O ALA A 108 -6.667 0.853 8.461 1.00 0.00 O ATOM 1657 CB ALA A 108 -3.214 0.735 8.314 1.00 0.00 C ATOM 0 H ALA A 108 -3.300 -1.587 8.782 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.687 0.642 9.868 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -3.397 1.787 8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.376 0.649 9.006 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -2.977 0.208 7.390 1.00 0.00 H new ATOM 1663 N TYR A 109 -5.655 -0.329 6.879 1.00 0.00 N ATOM 1664 CA TYR A 109 -6.717 -0.114 5.862 1.00 0.00 C ATOM 1665 C TYR A 109 -8.074 -0.557 6.363 1.00 0.00 C ATOM 1666 O TYR A 109 -9.075 0.094 6.174 1.00 0.00 O ATOM 1667 CB TYR A 109 -6.399 -0.846 4.551 1.00 0.00 C ATOM 1668 CG TYR A 109 -5.314 -0.217 3.700 1.00 0.00 C ATOM 1669 CD1 TYR A 109 -4.045 0.030 4.200 1.00 0.00 C ATOM 1670 CD2 TYR A 109 -5.565 0.105 2.378 1.00 0.00 C ATOM 1671 CE1 TYR A 109 -3.062 0.578 3.414 1.00 0.00 C ATOM 1672 CE2 TYR A 109 -4.586 0.645 1.578 1.00 0.00 C ATOM 1673 CZ TYR A 109 -3.338 0.880 2.097 1.00 0.00 C ATOM 1674 OH TYR A 109 -2.357 1.403 1.293 1.00 0.00 O ATOM 0 H TYR A 109 -4.933 -0.995 6.603 1.00 0.00 H new ATOM 0 HA TYR A 109 -6.746 0.959 5.673 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.104 -1.868 4.788 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.312 -0.907 3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -3.825 -0.214 5.229 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -6.548 -0.071 1.967 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -2.081 0.771 3.823 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -4.798 0.883 0.546 1.00 0.00 H new ATOM 0 HH TYR A 109 -2.718 1.557 0.395 1.00 0.00 H new ATOM 1684 N ARG A 110 -8.052 -1.630 7.071 1.00 0.00 N ATOM 1685 CA ARG A 110 -9.336 -2.158 7.514 1.00 0.00 C ATOM 1686 C ARG A 110 -9.960 -1.280 8.621 1.00 0.00 C ATOM 1687 O ARG A 110 -11.108 -1.477 9.018 1.00 0.00 O ATOM 1688 CB ARG A 110 -9.219 -3.620 7.874 1.00 0.00 C ATOM 1689 CG ARG A 110 -8.633 -4.412 6.717 1.00 0.00 C ATOM 1690 CD ARG A 110 -9.588 -4.570 5.554 1.00 0.00 C ATOM 1691 NE ARG A 110 -10.552 -5.647 5.795 1.00 0.00 N ATOM 1692 CZ ARG A 110 -11.272 -6.222 4.842 1.00 0.00 C ATOM 1693 NH1 ARG A 110 -11.462 -5.586 3.696 1.00 0.00 N ATOM 1694 NH2 ARG A 110 -11.886 -7.379 5.073 1.00 0.00 N ATOM 0 H ARG A 110 -7.222 -2.150 7.354 1.00 0.00 H new ATOM 0 HA ARG A 110 -10.042 -2.110 6.685 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -8.588 -3.733 8.756 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -10.201 -4.016 8.132 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -7.727 -3.916 6.369 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -8.340 -5.399 7.074 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.121 -3.633 5.389 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.025 -4.781 4.645 1.00 0.00 H new ATOM 0 HE ARG A 110 -10.676 -5.974 6.753 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -11.056 -4.662 3.552 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -12.015 -6.021 2.957 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -11.804 -7.827 5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -12.439 -7.819 4.337 1.00 0.00 H new ATOM 1708 N SER A 111 -9.194 -0.293 9.084 1.00 0.00 N ATOM 1709 CA SER A 111 -9.667 0.686 10.042 1.00 0.00 C ATOM 1710 C SER A 111 -10.293 1.969 9.399 1.00 0.00 C ATOM 1711 O SER A 111 -11.047 2.669 10.079 1.00 0.00 O ATOM 1712 CB SER A 111 -8.526 1.065 10.991 1.00 0.00 C ATOM 1713 OG SER A 111 -7.995 -0.090 11.651 1.00 0.00 O ATOM 0 H SER A 111 -8.224 -0.156 8.799 1.00 0.00 H new ATOM 0 HA SER A 111 -10.481 0.212 10.590 1.00 0.00 H new ATOM 0 HB2 SER A 111 -7.734 1.563 10.431 1.00 0.00 H new ATOM 0 HB3 SER A 111 -8.888 1.777 11.733 1.00 0.00 H new ATOM 0 HG SER A 111 -7.337 -0.525 11.070 1.00 0.00 H new ATOM 1719 N TRP A 112 -10.032 2.278 8.101 1.00 0.00 N ATOM 1720 CA TRP A 112 -10.547 3.510 7.478 1.00 0.00 C ATOM 1721 C TRP A 112 -10.676 3.379 5.947 1.00 0.00 C ATOM 1722 O TRP A 112 -11.057 4.322 5.262 1.00 0.00 O ATOM 1723 CB TRP A 112 -9.633 4.722 7.859 1.00 0.00 C ATOM 1724 CG TRP A 112 -8.238 4.332 8.267 1.00 0.00 C ATOM 1725 CD1 TRP A 112 -7.318 3.678 7.507 1.00 0.00 C ATOM 1726 CD2 TRP A 112 -7.608 4.580 9.529 1.00 0.00 C ATOM 1727 NE1 TRP A 112 -6.168 3.503 8.207 1.00 0.00 N ATOM 1728 CE2 TRP A 112 -6.314 4.041 9.450 1.00 0.00 C ATOM 1729 CE3 TRP A 112 -8.010 5.203 10.715 1.00 0.00 C ATOM 1730 CZ2 TRP A 112 -5.418 4.094 10.500 1.00 0.00 C ATOM 1731 CZ3 TRP A 112 -7.113 5.259 11.767 1.00 0.00 C ATOM 1732 CH2 TRP A 112 -5.829 4.707 11.653 1.00 0.00 C ATOM 0 H TRP A 112 -9.474 1.694 7.479 1.00 0.00 H new ATOM 0 HA TRP A 112 -11.551 3.683 7.864 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.575 5.402 7.009 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -10.099 5.273 8.676 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -7.480 3.346 6.492 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -5.328 3.042 7.858 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -8.998 5.630 10.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -4.429 3.667 10.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -7.406 5.735 12.691 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.151 4.767 12.491 1.00 0.00 H new ATOM 1743 N THR A 113 -10.477 2.184 5.435 1.00 0.00 N ATOM 1744 CA THR A 113 -10.369 1.937 3.999 1.00 0.00 C ATOM 1745 C THR A 113 -11.074 0.608 3.667 1.00 0.00 C ATOM 1746 O THR A 113 -10.657 -0.118 2.775 1.00 0.00 O ATOM 1747 CB THR A 113 -8.864 1.807 3.604 1.00 0.00 C ATOM 1748 OG1 THR A 113 -8.075 2.780 4.303 1.00 0.00 O ATOM 1749 CG2 THR A 113 -8.657 2.022 2.111 1.00 0.00 C ATOM 0 H THR A 113 -10.384 1.342 6.003 1.00 0.00 H new ATOM 0 HA THR A 113 -10.828 2.761 3.453 1.00 0.00 H new ATOM 0 HB THR A 113 -8.553 0.797 3.873 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.583 3.614 4.387 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.598 1.924 1.873 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.225 1.277 1.554 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.000 3.019 1.836 1.00 0.00 H new ATOM 1757 N ASN A 114 -12.150 0.326 4.400 1.00 0.00 N ATOM 1758 CA ASN A 114 -12.976 -0.893 4.234 1.00 0.00 C ATOM 1759 C ASN A 114 -12.219 -2.203 4.373 1.00 0.00 C ATOM 1760 O ASN A 114 -11.831 -2.829 3.371 1.00 0.00 O ATOM 1761 CB ASN A 114 -13.972 -0.881 3.029 1.00 0.00 C ATOM 1762 CG ASN A 114 -13.403 -0.572 1.653 1.00 0.00 C ATOM 1763 OD1 ASN A 114 -13.045 -1.464 0.892 1.00 0.00 O ATOM 1764 ND2 ASN A 114 -13.330 0.705 1.313 1.00 0.00 N ATOM 1765 OXT ASN A 114 -12.065 -2.652 5.522 1.00 0.00 O ATOM 0 H ASN A 114 -12.487 0.941 5.141 1.00 0.00 H new ATOM 0 HA ASN A 114 -13.623 -0.844 5.110 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -14.455 -1.857 2.982 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -14.751 -0.149 3.243 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -12.968 0.969 0.397 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -13.635 1.425 1.967 1.00 0.00 H new