USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 736 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 NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -178:sc= 0 (180deg=-0.00439) USER MOD Single : A 2 SER OG : rot 180:sc= -0.108 USER MOD Single : A 3 SER OG : rot 57:sc= 0.0402 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 21:sc= 1.07 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -123:sc= -0.14 (180deg=-1.44!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= -0.0187 (180deg=-0.197) USER MOD Single : A 29 HIS : no HE2:sc= -3.7 K(o=-3.7,f=-6.8!) USER MOD Single : A 35 ASN :FLIP amide:sc= 0.0954 F(o=-2!,f=0.095) USER MOD Single : A 36 ASN : amide:sc= -0.0269 X(o=-0.027,f=-0.33) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.897 F(o=-2!,f=-0.9) USER MOD Single : A 45 LYS NZ :NH3+ -144:sc= -0.182 (180deg=-0.891) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00131) USER MOD Single : A 50 THR OG1 : rot -161:sc= -0.955 USER MOD Single : A 55 TYR OH : rot 180:sc= 0.248 USER MOD Single : A 56 HIS : no HE2:sc= -9.11! C(o=-9.1!,f=-14!) USER MOD Single : A 59 GLN : amide:sc= 1.2 K(o=1.2,f=-0.017) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 71:sc= 0.278 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.061 K(o=-0.061,f=-1) USER MOD Single : A 80 GLN : amide:sc= -2.48 K(o=-2.5,f=-3.1!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.235 41.908 -61.478 1.00 0.00 N ATOM 2 CA GLY A 1 8.145 41.874 -60.520 1.00 0.00 C ATOM 3 C GLY A 1 8.611 41.514 -59.124 1.00 0.00 C ATOM 4 O GLY A 1 8.219 42.152 -58.147 1.00 0.00 O ATOM 0 H1 GLY A 1 8.870 42.192 -62.409 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.952 42.593 -61.164 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.665 40.964 -61.548 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.656 42.848 -60.496 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.399 41.150 -60.849 1.00 0.00 H new ATOM 8 N SER A 2 9.449 40.486 -59.028 1.00 0.00 N ATOM 9 CA SER A 2 9.965 40.038 -57.740 1.00 0.00 C ATOM 10 C SER A 2 8.883 40.113 -56.666 1.00 0.00 C ATOM 11 O SER A 2 9.139 40.544 -55.542 1.00 0.00 O ATOM 12 CB SER A 2 11.170 40.884 -57.326 1.00 0.00 C ATOM 13 OG SER A 2 10.822 42.255 -57.235 1.00 0.00 O ATOM 0 H SER A 2 9.785 39.948 -59.827 1.00 0.00 H new ATOM 0 HA SER A 2 10.279 38.999 -57.844 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.549 40.537 -56.365 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.974 40.757 -58.051 1.00 0.00 H new ATOM 0 HG SER A 2 11.608 42.775 -56.967 1.00 0.00 H new ATOM 19 N SER A 3 7.674 39.690 -57.022 1.00 0.00 N ATOM 20 CA SER A 3 6.552 39.712 -56.091 1.00 0.00 C ATOM 21 C SER A 3 6.232 38.306 -55.592 1.00 0.00 C ATOM 22 O SER A 3 6.259 37.343 -56.357 1.00 0.00 O ATOM 23 CB SER A 3 5.319 40.321 -56.760 1.00 0.00 C ATOM 24 OG SER A 3 5.350 41.736 -56.696 1.00 0.00 O ATOM 0 H SER A 3 7.447 39.328 -57.948 1.00 0.00 H new ATOM 0 HA SER A 3 6.833 40.327 -55.236 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.272 40.002 -57.801 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.417 39.952 -56.272 1.00 0.00 H new ATOM 0 HG SER A 3 6.172 42.065 -57.116 1.00 0.00 H new ATOM 30 N GLY A 4 5.929 38.197 -54.302 1.00 0.00 N ATOM 31 CA GLY A 4 5.608 36.906 -53.722 1.00 0.00 C ATOM 32 C GLY A 4 5.318 36.994 -52.236 1.00 0.00 C ATOM 33 O GLY A 4 5.213 38.088 -51.681 1.00 0.00 O ATOM 0 H GLY A 4 5.900 38.980 -53.648 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.742 36.486 -54.234 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.439 36.220 -53.887 1.00 0.00 H new ATOM 37 N SER A 5 5.187 35.839 -51.591 1.00 0.00 N ATOM 38 CA SER A 5 4.902 35.790 -50.162 1.00 0.00 C ATOM 39 C SER A 5 5.956 34.968 -49.426 1.00 0.00 C ATOM 40 O SER A 5 6.826 34.356 -50.045 1.00 0.00 O ATOM 41 CB SER A 5 3.513 35.197 -49.918 1.00 0.00 C ATOM 42 OG SER A 5 3.497 33.807 -50.193 1.00 0.00 O ATOM 0 H SER A 5 5.274 34.925 -52.035 1.00 0.00 H new ATOM 0 HA SER A 5 4.927 36.809 -49.776 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.217 35.370 -48.883 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.782 35.704 -50.548 1.00 0.00 H new ATOM 0 HG SER A 5 2.599 33.451 -50.028 1.00 0.00 H new ATOM 48 N SER A 6 5.870 34.959 -48.099 1.00 0.00 N ATOM 49 CA SER A 6 6.817 34.216 -47.277 1.00 0.00 C ATOM 50 C SER A 6 6.205 33.867 -45.924 1.00 0.00 C ATOM 51 O SER A 6 5.181 34.425 -45.531 1.00 0.00 O ATOM 52 CB SER A 6 8.097 35.029 -47.076 1.00 0.00 C ATOM 53 OG SER A 6 7.844 36.202 -46.321 1.00 0.00 O ATOM 0 H SER A 6 5.154 35.458 -47.571 1.00 0.00 H new ATOM 0 HA SER A 6 7.061 33.289 -47.796 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.843 34.419 -46.566 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.515 35.300 -48.045 1.00 0.00 H new ATOM 0 HG SER A 6 8.678 36.703 -46.205 1.00 0.00 H new ATOM 59 N GLY A 7 6.840 32.939 -45.215 1.00 0.00 N ATOM 60 CA GLY A 7 6.345 32.530 -43.914 1.00 0.00 C ATOM 61 C GLY A 7 7.061 31.306 -43.379 1.00 0.00 C ATOM 62 O GLY A 7 7.491 30.444 -44.146 1.00 0.00 O ATOM 0 H GLY A 7 7.689 32.463 -45.519 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.463 33.353 -43.209 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.278 32.321 -43.984 1.00 0.00 H new ATOM 66 N LEU A 8 7.192 31.230 -42.059 1.00 0.00 N ATOM 67 CA LEU A 8 7.864 30.102 -41.421 1.00 0.00 C ATOM 68 C LEU A 8 7.594 30.087 -39.920 1.00 0.00 C ATOM 69 O LEU A 8 7.527 31.137 -39.281 1.00 0.00 O ATOM 70 CB LEU A 8 9.370 30.168 -41.680 1.00 0.00 C ATOM 71 CG LEU A 8 10.081 28.824 -41.847 1.00 0.00 C ATOM 72 CD1 LEU A 8 11.301 28.973 -42.742 1.00 0.00 C ATOM 73 CD2 LEU A 8 10.478 28.260 -40.490 1.00 0.00 C ATOM 0 H LEU A 8 6.842 31.935 -41.410 1.00 0.00 H new ATOM 0 HA LEU A 8 7.468 29.183 -41.852 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.538 30.760 -42.580 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.838 30.704 -40.854 1.00 0.00 H new ATOM 0 HG LEU A 8 9.392 28.126 -42.322 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.794 28.007 -42.849 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.991 29.333 -43.723 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.994 29.686 -42.296 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.983 27.304 -40.627 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.150 28.957 -39.989 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.586 28.115 -39.881 1.00 0.00 H new ATOM 85 N GLU A 9 7.444 28.889 -39.363 1.00 0.00 N ATOM 86 CA GLU A 9 7.183 28.738 -37.936 1.00 0.00 C ATOM 87 C GLU A 9 8.483 28.527 -37.166 1.00 0.00 C ATOM 88 O GLU A 9 9.444 27.964 -37.691 1.00 0.00 O ATOM 89 CB GLU A 9 6.235 27.563 -37.690 1.00 0.00 C ATOM 90 CG GLU A 9 4.834 27.786 -38.235 1.00 0.00 C ATOM 91 CD GLU A 9 4.191 29.047 -37.691 1.00 0.00 C ATOM 92 OE1 GLU A 9 4.433 30.131 -38.264 1.00 0.00 O ATOM 93 OE2 GLU A 9 3.447 28.952 -36.693 1.00 0.00 O ATOM 0 H GLU A 9 7.499 28.010 -39.878 1.00 0.00 H new ATOM 0 HA GLU A 9 6.713 29.655 -37.579 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.655 26.667 -38.147 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.173 27.375 -36.618 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.876 27.844 -39.323 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.210 26.928 -37.986 1.00 0.00 H new ATOM 100 N GLU A 10 8.505 28.983 -35.917 1.00 0.00 N ATOM 101 CA GLU A 10 9.687 28.845 -35.075 1.00 0.00 C ATOM 102 C GLU A 10 9.679 27.507 -34.340 1.00 0.00 C ATOM 103 O GLU A 10 8.647 26.842 -34.250 1.00 0.00 O ATOM 104 CB GLU A 10 9.758 29.993 -34.065 1.00 0.00 C ATOM 105 CG GLU A 10 11.100 30.102 -33.361 1.00 0.00 C ATOM 106 CD GLU A 10 11.185 31.312 -32.451 1.00 0.00 C ATOM 107 OE1 GLU A 10 10.598 31.267 -31.350 1.00 0.00 O ATOM 108 OE2 GLU A 10 11.837 32.303 -32.840 1.00 0.00 O ATOM 0 H GLU A 10 7.718 29.451 -35.467 1.00 0.00 H new ATOM 0 HA GLU A 10 10.566 28.881 -35.719 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.550 30.931 -34.579 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.975 29.858 -33.318 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.273 29.199 -32.776 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.894 30.156 -34.106 1.00 0.00 H new ATOM 115 N PHE A 11 10.837 27.119 -33.817 1.00 0.00 N ATOM 116 CA PHE A 11 10.965 25.861 -33.092 1.00 0.00 C ATOM 117 C PHE A 11 11.336 26.109 -31.632 1.00 0.00 C ATOM 118 O PHE A 11 11.550 27.249 -31.219 1.00 0.00 O ATOM 119 CB PHE A 11 12.020 24.971 -33.753 1.00 0.00 C ATOM 120 CG PHE A 11 13.402 25.558 -33.725 1.00 0.00 C ATOM 121 CD1 PHE A 11 14.162 25.521 -32.567 1.00 0.00 C ATOM 122 CD2 PHE A 11 13.942 26.147 -34.857 1.00 0.00 C ATOM 123 CE1 PHE A 11 15.433 26.061 -32.538 1.00 0.00 C ATOM 124 CE2 PHE A 11 15.214 26.688 -34.835 1.00 0.00 C ATOM 125 CZ PHE A 11 15.961 26.644 -33.674 1.00 0.00 C ATOM 0 H PHE A 11 11.701 27.658 -33.882 1.00 0.00 H new ATOM 0 HA PHE A 11 10.001 25.354 -33.123 1.00 0.00 H new ATOM 0 HB2 PHE A 11 12.034 24.004 -33.251 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.732 24.788 -34.788 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.756 25.065 -31.677 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.362 26.184 -35.767 1.00 0.00 H new ATOM 0 HE1 PHE A 11 16.014 26.028 -31.628 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.623 27.144 -35.724 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.956 27.064 -33.654 1.00 0.00 H new ATOM 135 N LYS A 12 11.410 25.034 -30.856 1.00 0.00 N ATOM 136 CA LYS A 12 11.755 25.132 -29.442 1.00 0.00 C ATOM 137 C LYS A 12 12.389 23.837 -28.946 1.00 0.00 C ATOM 138 O LYS A 12 12.115 22.759 -29.472 1.00 0.00 O ATOM 139 CB LYS A 12 10.509 25.454 -28.613 1.00 0.00 C ATOM 140 CG LYS A 12 9.407 24.417 -28.745 1.00 0.00 C ATOM 141 CD LYS A 12 8.449 24.470 -27.567 1.00 0.00 C ATOM 142 CE LYS A 12 7.315 25.453 -27.814 1.00 0.00 C ATOM 143 NZ LYS A 12 6.182 24.821 -28.546 1.00 0.00 N ATOM 0 H LYS A 12 11.236 24.083 -31.182 1.00 0.00 H new ATOM 0 HA LYS A 12 12.479 25.938 -29.325 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.793 25.539 -27.564 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.121 26.426 -28.918 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.857 24.585 -29.671 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.848 23.422 -28.812 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.038 23.477 -27.386 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.993 24.759 -26.667 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.959 25.843 -26.861 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.689 26.302 -28.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.430 25.524 -28.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.516 24.471 -29.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.808 24.027 -27.988 1.00 0.00 H new ATOM 157 N ASN A 13 13.236 23.950 -27.928 1.00 0.00 N ATOM 158 CA ASN A 13 13.908 22.787 -27.360 1.00 0.00 C ATOM 159 C ASN A 13 14.664 23.163 -26.089 1.00 0.00 C ATOM 160 O ASN A 13 15.250 24.241 -25.999 1.00 0.00 O ATOM 161 CB ASN A 13 14.873 22.180 -28.380 1.00 0.00 C ATOM 162 CG ASN A 13 15.066 20.690 -28.178 1.00 0.00 C ATOM 163 OD1 ASN A 13 14.454 19.874 -28.868 1.00 0.00 O ATOM 164 ND2 ASN A 13 15.920 20.327 -27.228 1.00 0.00 N ATOM 0 H ASN A 13 13.473 24.835 -27.480 1.00 0.00 H new ATOM 0 HA ASN A 13 13.148 22.048 -27.105 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.495 22.361 -29.386 1.00 0.00 H new ATOM 0 HB3 ASN A 13 15.838 22.682 -28.307 1.00 0.00 H new ATOM 0 HD21 ASN A 13 16.090 19.338 -27.046 1.00 0.00 H new ATOM 0 HD22 ASN A 13 16.406 21.037 -26.680 1.00 0.00 H new ATOM 171 N SER A 14 14.646 22.265 -25.109 1.00 0.00 N ATOM 172 CA SER A 14 15.326 22.503 -23.841 1.00 0.00 C ATOM 173 C SER A 14 15.546 21.194 -23.089 1.00 0.00 C ATOM 174 O SER A 14 14.815 20.223 -23.282 1.00 0.00 O ATOM 175 CB SER A 14 14.517 23.471 -22.977 1.00 0.00 C ATOM 176 OG SER A 14 14.698 24.810 -23.404 1.00 0.00 O ATOM 0 H SER A 14 14.168 21.366 -25.169 1.00 0.00 H new ATOM 0 HA SER A 14 16.298 22.946 -24.056 1.00 0.00 H new ATOM 0 HB2 SER A 14 13.460 23.210 -23.026 1.00 0.00 H new ATOM 0 HB3 SER A 14 14.821 23.374 -21.935 1.00 0.00 H new ATOM 0 HG SER A 14 15.010 24.818 -24.333 1.00 0.00 H new ATOM 182 N SER A 15 16.560 21.176 -22.229 1.00 0.00 N ATOM 183 CA SER A 15 16.881 19.986 -21.450 1.00 0.00 C ATOM 184 C SER A 15 17.714 20.348 -20.224 1.00 0.00 C ATOM 185 O SER A 15 18.504 21.292 -20.252 1.00 0.00 O ATOM 186 CB SER A 15 17.635 18.973 -22.313 1.00 0.00 C ATOM 187 OG SER A 15 18.971 19.390 -22.539 1.00 0.00 O ATOM 0 H SER A 15 17.173 21.972 -22.054 1.00 0.00 H new ATOM 0 HA SER A 15 15.946 19.539 -21.113 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.633 18.000 -21.823 1.00 0.00 H new ATOM 0 HB3 SER A 15 17.123 18.851 -23.267 1.00 0.00 H new ATOM 0 HG SER A 15 19.432 18.725 -23.092 1.00 0.00 H new ATOM 193 N LYS A 16 17.532 19.590 -19.148 1.00 0.00 N ATOM 194 CA LYS A 16 18.266 19.828 -17.911 1.00 0.00 C ATOM 195 C LYS A 16 18.171 18.622 -16.981 1.00 0.00 C ATOM 196 O LYS A 16 17.378 17.709 -17.212 1.00 0.00 O ATOM 197 CB LYS A 16 17.727 21.074 -17.205 1.00 0.00 C ATOM 198 CG LYS A 16 16.378 20.861 -16.540 1.00 0.00 C ATOM 199 CD LYS A 16 15.802 22.165 -16.017 1.00 0.00 C ATOM 200 CE LYS A 16 16.532 22.637 -14.769 1.00 0.00 C ATOM 201 NZ LYS A 16 17.702 23.496 -15.102 1.00 0.00 N ATOM 0 H LYS A 16 16.882 18.805 -19.108 1.00 0.00 H new ATOM 0 HA LYS A 16 19.314 19.987 -18.165 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.447 21.395 -16.452 1.00 0.00 H new ATOM 0 HB3 LYS A 16 17.642 21.884 -17.930 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.685 20.417 -17.255 1.00 0.00 H new ATOM 0 HG3 LYS A 16 16.484 20.154 -15.718 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.870 22.930 -16.791 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.744 22.032 -15.792 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.843 23.193 -14.133 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.868 21.773 -14.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.563 23.085 -14.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.807 23.554 -16.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.554 24.450 -14.715 1.00 0.00 H new ATOM 215 N LEU A 17 18.982 18.627 -15.929 1.00 0.00 N ATOM 216 CA LEU A 17 18.987 17.534 -14.963 1.00 0.00 C ATOM 217 C LEU A 17 18.082 17.851 -13.777 1.00 0.00 C ATOM 218 O LEU A 17 17.994 18.998 -13.339 1.00 0.00 O ATOM 219 CB LEU A 17 20.412 17.266 -14.474 1.00 0.00 C ATOM 220 CG LEU A 17 20.539 16.410 -13.214 1.00 0.00 C ATOM 221 CD1 LEU A 17 20.174 14.964 -13.511 1.00 0.00 C ATOM 222 CD2 LEU A 17 21.949 16.501 -12.647 1.00 0.00 C ATOM 0 H LEU A 17 19.644 19.375 -15.723 1.00 0.00 H new ATOM 0 HA LEU A 17 18.605 16.642 -15.459 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.965 16.779 -15.277 1.00 0.00 H new ATOM 0 HB3 LEU A 17 20.897 18.224 -14.289 1.00 0.00 H new ATOM 0 HG LEU A 17 19.843 16.792 -12.467 1.00 0.00 H new ATOM 0 HD11 LEU A 17 20.271 14.370 -12.602 1.00 0.00 H new ATOM 0 HD12 LEU A 17 19.146 14.915 -13.869 1.00 0.00 H new ATOM 0 HD13 LEU A 17 20.844 14.569 -14.275 1.00 0.00 H new ATOM 0 HD21 LEU A 17 22.021 15.885 -11.750 1.00 0.00 H new ATOM 0 HD22 LEU A 17 22.663 16.146 -13.390 1.00 0.00 H new ATOM 0 HD23 LEU A 17 22.173 17.537 -12.395 1.00 0.00 H new ATOM 234 N VAL A 18 17.411 16.826 -13.260 1.00 0.00 N ATOM 235 CA VAL A 18 16.515 16.994 -12.123 1.00 0.00 C ATOM 236 C VAL A 18 16.930 16.100 -10.959 1.00 0.00 C ATOM 237 O VAL A 18 17.391 14.977 -11.160 1.00 0.00 O ATOM 238 CB VAL A 18 15.057 16.676 -12.505 1.00 0.00 C ATOM 239 CG1 VAL A 18 14.585 17.596 -13.621 1.00 0.00 C ATOM 240 CG2 VAL A 18 14.919 15.217 -12.911 1.00 0.00 C ATOM 0 H VAL A 18 17.472 15.870 -13.611 1.00 0.00 H new ATOM 0 HA VAL A 18 16.584 18.038 -11.818 1.00 0.00 H new ATOM 0 HB VAL A 18 14.425 16.848 -11.634 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.553 17.357 -13.878 1.00 0.00 H new ATOM 0 HG12 VAL A 18 14.645 18.632 -13.288 1.00 0.00 H new ATOM 0 HG13 VAL A 18 15.218 17.459 -14.498 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.883 15.010 -13.178 1.00 0.00 H new ATOM 0 HG22 VAL A 18 15.561 15.016 -13.768 1.00 0.00 H new ATOM 0 HG23 VAL A 18 15.214 14.578 -12.079 1.00 0.00 H new ATOM 250 N ALA A 19 16.762 16.607 -9.742 1.00 0.00 N ATOM 251 CA ALA A 19 17.117 15.854 -8.546 1.00 0.00 C ATOM 252 C ALA A 19 15.968 15.842 -7.543 1.00 0.00 C ATOM 253 O ALA A 19 15.160 16.770 -7.500 1.00 0.00 O ATOM 254 CB ALA A 19 18.370 16.436 -7.908 1.00 0.00 C ATOM 0 H ALA A 19 16.382 17.536 -9.559 1.00 0.00 H new ATOM 0 HA ALA A 19 17.318 14.824 -8.842 1.00 0.00 H new ATOM 0 HB1 ALA A 19 18.623 15.864 -7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 19 19.196 16.387 -8.617 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.189 17.475 -7.633 1.00 0.00 H new ATOM 260 N ALA A 20 15.900 14.786 -6.740 1.00 0.00 N ATOM 261 CA ALA A 20 14.850 14.655 -5.737 1.00 0.00 C ATOM 262 C ALA A 20 15.288 13.738 -4.600 1.00 0.00 C ATOM 263 O ALA A 20 16.328 13.084 -4.683 1.00 0.00 O ATOM 264 CB ALA A 20 13.572 14.133 -6.377 1.00 0.00 C ATOM 0 H ALA A 20 16.560 14.008 -6.764 1.00 0.00 H new ATOM 0 HA ALA A 20 14.656 15.642 -5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.796 14.040 -5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.242 14.828 -7.149 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.761 13.157 -6.824 1.00 0.00 H new ATOM 270 N ALA A 21 14.489 13.695 -3.540 1.00 0.00 N ATOM 271 CA ALA A 21 14.794 12.857 -2.387 1.00 0.00 C ATOM 272 C ALA A 21 16.156 13.208 -1.798 1.00 0.00 C ATOM 273 O ALA A 21 16.962 12.325 -1.507 1.00 0.00 O ATOM 274 CB ALA A 21 14.748 11.386 -2.776 1.00 0.00 C ATOM 0 H ALA A 21 13.625 14.231 -3.455 1.00 0.00 H new ATOM 0 HA ALA A 21 14.038 13.043 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.978 10.772 -1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.752 11.138 -3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 21 15.481 11.194 -3.559 1.00 0.00 H new ATOM 280 N GLU A 22 16.405 14.502 -1.626 1.00 0.00 N ATOM 281 CA GLU A 22 17.671 14.969 -1.073 1.00 0.00 C ATOM 282 C GLU A 22 17.444 15.773 0.204 1.00 0.00 C ATOM 283 O GLU A 22 18.187 16.708 0.503 1.00 0.00 O ATOM 284 CB GLU A 22 18.419 15.821 -2.100 1.00 0.00 C ATOM 285 CG GLU A 22 17.747 17.153 -2.389 1.00 0.00 C ATOM 286 CD GLU A 22 18.380 17.884 -3.558 1.00 0.00 C ATOM 287 OE1 GLU A 22 18.211 17.425 -4.707 1.00 0.00 O ATOM 288 OE2 GLU A 22 19.044 18.915 -3.322 1.00 0.00 O ATOM 0 H GLU A 22 15.747 15.245 -1.861 1.00 0.00 H new ATOM 0 HA GLU A 22 18.275 14.095 -0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.431 16.005 -1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.509 15.259 -3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.691 16.985 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.799 17.782 -1.501 1.00 0.00 H new ATOM 295 N LYS A 23 16.411 15.403 0.953 1.00 0.00 N ATOM 296 CA LYS A 23 16.084 16.088 2.198 1.00 0.00 C ATOM 297 C LYS A 23 15.516 15.112 3.223 1.00 0.00 C ATOM 298 O LYS A 23 14.835 14.151 2.867 1.00 0.00 O ATOM 299 CB LYS A 23 15.079 17.212 1.937 1.00 0.00 C ATOM 300 CG LYS A 23 15.688 18.427 1.258 1.00 0.00 C ATOM 301 CD LYS A 23 16.565 19.218 2.214 1.00 0.00 C ATOM 302 CE LYS A 23 15.740 20.150 3.088 1.00 0.00 C ATOM 303 NZ LYS A 23 16.576 21.212 3.711 1.00 0.00 N ATOM 0 H LYS A 23 15.785 14.632 0.719 1.00 0.00 H new ATOM 0 HA LYS A 23 17.002 16.516 2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.269 16.827 1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.636 17.519 2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.279 18.107 0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.893 19.068 0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.129 18.531 2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.292 19.799 1.646 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.956 20.611 2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.246 19.572 3.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.976 21.826 4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.309 20.773 4.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.028 21.780 2.966 1.00 0.00 H new ATOM 317 N GLU A 24 15.800 15.366 4.497 1.00 0.00 N ATOM 318 CA GLU A 24 15.316 14.509 5.573 1.00 0.00 C ATOM 319 C GLU A 24 13.841 14.776 5.858 1.00 0.00 C ATOM 320 O GLU A 24 13.227 15.650 5.247 1.00 0.00 O ATOM 321 CB GLU A 24 16.141 14.731 6.842 1.00 0.00 C ATOM 322 CG GLU A 24 17.446 13.953 6.864 1.00 0.00 C ATOM 323 CD GLU A 24 17.263 12.497 6.481 1.00 0.00 C ATOM 324 OE1 GLU A 24 17.307 12.191 5.272 1.00 0.00 O ATOM 325 OE2 GLU A 24 17.076 11.664 7.393 1.00 0.00 O ATOM 0 H GLU A 24 16.362 16.158 4.809 1.00 0.00 H new ATOM 0 HA GLU A 24 15.425 13.472 5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 24 16.360 15.794 6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 24 15.543 14.446 7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.154 14.419 6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.882 14.011 7.861 1.00 0.00 H new ATOM 332 N ARG A 25 13.278 14.015 6.792 1.00 0.00 N ATOM 333 CA ARG A 25 11.875 14.166 7.158 1.00 0.00 C ATOM 334 C ARG A 25 11.451 15.630 7.088 1.00 0.00 C ATOM 335 O ARG A 25 11.745 16.417 7.989 1.00 0.00 O ATOM 336 CB ARG A 25 11.632 13.620 8.566 1.00 0.00 C ATOM 337 CG ARG A 25 11.585 12.102 8.631 1.00 0.00 C ATOM 338 CD ARG A 25 12.051 11.588 9.983 1.00 0.00 C ATOM 339 NE ARG A 25 13.420 11.998 10.283 1.00 0.00 N ATOM 340 CZ ARG A 25 13.725 13.080 10.990 1.00 0.00 C ATOM 341 NH1 ARG A 25 12.763 13.856 11.470 1.00 0.00 N ATOM 342 NH2 ARG A 25 14.996 13.388 11.221 1.00 0.00 N ATOM 0 H ARG A 25 13.773 13.288 7.309 1.00 0.00 H new ATOM 0 HA ARG A 25 11.276 13.597 6.447 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.421 13.979 9.227 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.692 14.021 8.945 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.568 11.760 8.441 1.00 0.00 H new ATOM 0 HG3 ARG A 25 12.214 11.683 7.845 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.383 11.958 10.761 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.987 10.500 9.999 1.00 0.00 H new ATOM 0 HE ARG A 25 14.184 11.422 9.930 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.785 13.623 11.297 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.001 14.686 12.013 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.739 12.793 10.855 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.229 14.219 11.764 1.00 0.00 H new ATOM 356 N LEU A 26 10.758 15.989 6.013 1.00 0.00 N ATOM 357 CA LEU A 26 10.292 17.359 5.825 1.00 0.00 C ATOM 358 C LEU A 26 8.796 17.468 6.098 1.00 0.00 C ATOM 359 O LEU A 26 8.325 18.467 6.642 1.00 0.00 O ATOM 360 CB LEU A 26 10.598 17.831 4.402 1.00 0.00 C ATOM 361 CG LEU A 26 9.864 17.099 3.279 1.00 0.00 C ATOM 362 CD1 LEU A 26 9.775 17.976 2.039 1.00 0.00 C ATOM 363 CD2 LEU A 26 10.558 15.784 2.956 1.00 0.00 C ATOM 0 H LEU A 26 10.506 15.351 5.258 1.00 0.00 H new ATOM 0 HA LEU A 26 10.819 17.997 6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.359 18.892 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.670 17.734 4.231 1.00 0.00 H new ATOM 0 HG LEU A 26 8.851 16.878 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.249 17.438 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.233 18.891 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.779 18.228 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.021 15.277 2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.582 15.981 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.568 15.151 3.843 1.00 0.00 H new ATOM 375 N ASP A 27 8.054 16.434 5.718 1.00 0.00 N ATOM 376 CA ASP A 27 6.610 16.411 5.925 1.00 0.00 C ATOM 377 C ASP A 27 6.275 16.113 7.383 1.00 0.00 C ATOM 378 O ASP A 27 7.165 16.003 8.226 1.00 0.00 O ATOM 379 CB ASP A 27 5.959 15.368 5.015 1.00 0.00 C ATOM 380 CG ASP A 27 6.739 14.069 4.973 1.00 0.00 C ATOM 381 OD1 ASP A 27 7.345 13.708 6.004 1.00 0.00 O ATOM 382 OD2 ASP A 27 6.744 13.413 3.910 1.00 0.00 O ATOM 0 H ASP A 27 8.428 15.600 5.265 1.00 0.00 H new ATOM 0 HA ASP A 27 6.216 17.396 5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.945 15.169 5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.876 15.772 4.006 1.00 0.00 H new ATOM 387 N LYS A 28 4.985 15.984 7.673 1.00 0.00 N ATOM 388 CA LYS A 28 4.530 15.698 9.029 1.00 0.00 C ATOM 389 C LYS A 28 4.054 14.254 9.150 1.00 0.00 C ATOM 390 O LYS A 28 4.238 13.614 10.186 1.00 0.00 O ATOM 391 CB LYS A 28 3.401 16.654 9.422 1.00 0.00 C ATOM 392 CG LYS A 28 3.888 17.937 10.071 1.00 0.00 C ATOM 393 CD LYS A 28 2.741 18.898 10.338 1.00 0.00 C ATOM 394 CE LYS A 28 2.258 19.559 9.056 1.00 0.00 C ATOM 395 NZ LYS A 28 3.258 20.521 8.517 1.00 0.00 N ATOM 0 H LYS A 28 4.235 16.073 6.987 1.00 0.00 H new ATOM 0 HA LYS A 28 5.372 15.842 9.706 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.822 16.904 8.533 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.726 16.143 10.109 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.393 17.703 11.008 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.623 18.417 9.424 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.916 18.360 10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.063 19.663 11.044 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.051 18.793 8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.320 20.080 9.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.802 21.140 7.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.639 21.098 9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.033 19.998 8.063 1.00 0.00 H new ATOM 409 N HIS A 29 3.441 13.746 8.085 1.00 0.00 N ATOM 410 CA HIS A 29 2.941 12.376 8.072 1.00 0.00 C ATOM 411 C HIS A 29 4.060 11.392 7.746 1.00 0.00 C ATOM 412 O HIS A 29 4.160 10.901 6.621 1.00 0.00 O ATOM 413 CB HIS A 29 1.808 12.235 7.055 1.00 0.00 C ATOM 414 CG HIS A 29 2.245 12.449 5.638 1.00 0.00 C ATOM 415 ND1 HIS A 29 2.591 13.685 5.136 1.00 0.00 N ATOM 416 CD2 HIS A 29 2.393 11.574 4.616 1.00 0.00 C ATOM 417 CE1 HIS A 29 2.931 13.562 3.866 1.00 0.00 C ATOM 418 NE2 HIS A 29 2.820 12.291 3.525 1.00 0.00 N ATOM 0 H HIS A 29 3.279 14.262 7.220 1.00 0.00 H new ATOM 0 HA HIS A 29 2.558 12.145 9.066 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.371 11.240 7.146 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.023 12.951 7.297 1.00 0.00 H new ATOM 0 HD1 HIS A 29 2.585 14.558 5.663 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.210 10.510 4.652 1.00 0.00 H new ATOM 0 HE1 HIS A 29 3.246 14.365 3.216 1.00 0.00 H new ATOM 426 N LEU A 30 4.899 11.109 8.736 1.00 0.00 N ATOM 427 CA LEU A 30 6.012 10.183 8.554 1.00 0.00 C ATOM 428 C LEU A 30 5.598 8.758 8.905 1.00 0.00 C ATOM 429 O LEU A 30 5.952 7.808 8.207 1.00 0.00 O ATOM 430 CB LEU A 30 7.201 10.608 9.418 1.00 0.00 C ATOM 431 CG LEU A 30 7.988 11.823 8.925 1.00 0.00 C ATOM 432 CD1 LEU A 30 8.415 11.632 7.478 1.00 0.00 C ATOM 433 CD2 LEU A 30 7.160 13.091 9.077 1.00 0.00 C ATOM 0 H LEU A 30 4.830 11.507 9.673 1.00 0.00 H new ATOM 0 HA LEU A 30 6.305 10.208 7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.837 10.819 10.423 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.886 9.764 9.498 1.00 0.00 H new ATOM 0 HG LEU A 30 8.885 11.923 9.536 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.974 12.507 7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.046 10.747 7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.532 11.505 6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.735 13.946 8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.245 13.000 8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.906 13.236 10.127 1.00 0.00 H new ATOM 445 N GLY A 31 4.843 8.616 9.990 1.00 0.00 N ATOM 446 CA GLY A 31 4.390 7.304 10.413 1.00 0.00 C ATOM 447 C GLY A 31 5.452 6.237 10.228 1.00 0.00 C ATOM 448 O GLY A 31 6.410 6.166 10.998 1.00 0.00 O ATOM 0 H GLY A 31 4.537 9.387 10.584 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.099 7.344 11.463 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.501 7.030 9.846 1.00 0.00 H new ATOM 452 N ILE A 32 5.281 5.406 9.206 1.00 0.00 N ATOM 453 CA ILE A 32 6.231 4.338 8.923 1.00 0.00 C ATOM 454 C ILE A 32 6.436 4.167 7.421 1.00 0.00 C ATOM 455 O ILE A 32 5.497 4.247 6.629 1.00 0.00 O ATOM 456 CB ILE A 32 5.767 2.997 9.522 1.00 0.00 C ATOM 457 CG1 ILE A 32 5.670 3.101 11.045 1.00 0.00 C ATOM 458 CG2 ILE A 32 6.719 1.880 9.121 1.00 0.00 C ATOM 459 CD1 ILE A 32 4.599 2.217 11.644 1.00 0.00 C ATOM 0 H ILE A 32 4.493 5.452 8.560 1.00 0.00 H new ATOM 0 HA ILE A 32 7.175 4.626 9.386 1.00 0.00 H new ATOM 0 HB ILE A 32 4.778 2.763 9.129 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.633 2.837 11.481 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.469 4.137 11.318 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.378 0.939 9.552 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.742 1.794 8.035 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.720 2.106 9.489 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.587 2.342 12.727 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.627 2.495 11.236 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.809 1.175 11.402 1.00 0.00 H new ATOM 471 N PRO A 33 7.692 3.924 7.019 1.00 0.00 N ATOM 472 CA PRO A 33 8.049 3.735 5.610 1.00 0.00 C ATOM 473 C PRO A 33 7.512 2.423 5.047 1.00 0.00 C ATOM 474 O PRO A 33 7.019 1.573 5.789 1.00 0.00 O ATOM 475 CB PRO A 33 9.580 3.719 5.631 1.00 0.00 C ATOM 476 CG PRO A 33 9.936 3.274 7.008 1.00 0.00 C ATOM 477 CD PRO A 33 8.861 3.816 7.909 1.00 0.00 C ATOM 0 HA PRO A 33 7.625 4.513 4.975 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.979 3.038 4.879 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.989 4.706 5.416 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.983 2.187 7.067 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.916 3.652 7.299 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.666 3.149 8.749 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.138 4.783 8.328 1.00 0.00 H new ATOM 485 N CYS A 34 7.609 2.266 3.731 1.00 0.00 N ATOM 486 CA CYS A 34 7.132 1.058 3.068 1.00 0.00 C ATOM 487 C CYS A 34 8.167 -0.059 3.163 1.00 0.00 C ATOM 488 O CYS A 34 9.363 0.199 3.296 1.00 0.00 O ATOM 489 CB CYS A 34 6.813 1.349 1.601 1.00 0.00 C ATOM 490 SG CYS A 34 5.828 0.053 0.783 1.00 0.00 S ATOM 0 H CYS A 34 8.014 2.960 3.103 1.00 0.00 H new ATOM 0 HA CYS A 34 6.223 0.731 3.573 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.274 2.294 1.538 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.748 1.478 1.056 1.00 0.00 H new ATOM 495 N ASN A 35 7.698 -1.301 3.092 1.00 0.00 N ATOM 496 CA ASN A 35 8.583 -2.457 3.169 1.00 0.00 C ATOM 497 C ASN A 35 8.935 -2.968 1.775 1.00 0.00 C ATOM 498 O ASN A 35 10.004 -3.538 1.564 1.00 0.00 O ATOM 499 CB ASN A 35 7.925 -3.574 3.983 1.00 0.00 C ATOM 500 CG ASN A 35 8.303 -3.521 5.450 1.00 0.00 C ATOM 501 OD1 ASN A 35 7.771 -2.535 6.163 1.00 0.00 O flip ATOM 502 ND2 ASN A 35 9.065 -4.356 5.937 1.00 0.00 N flip ATOM 0 H ASN A 35 6.711 -1.532 2.981 1.00 0.00 H new ATOM 0 HA ASN A 35 9.503 -2.147 3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.842 -3.500 3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.216 -4.540 3.570 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.451 -5.097 5.352 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.311 -4.307 6.926 1.00 0.00 H new ATOM 509 N ASN A 36 8.027 -2.758 0.828 1.00 0.00 N ATOM 510 CA ASN A 36 8.241 -3.196 -0.547 1.00 0.00 C ATOM 511 C ASN A 36 9.066 -2.173 -1.322 1.00 0.00 C ATOM 512 O ASN A 36 10.251 -2.383 -1.582 1.00 0.00 O ATOM 513 CB ASN A 36 6.900 -3.422 -1.247 1.00 0.00 C ATOM 514 CG ASN A 36 6.991 -4.460 -2.349 1.00 0.00 C ATOM 515 OD1 ASN A 36 7.538 -5.545 -2.151 1.00 0.00 O ATOM 516 ND2 ASN A 36 6.454 -4.130 -3.518 1.00 0.00 N ATOM 0 H ASN A 36 7.136 -2.287 0.987 1.00 0.00 H new ATOM 0 HA ASN A 36 8.792 -4.136 -0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.159 -3.739 -0.513 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.549 -2.479 -1.667 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.485 -4.787 -4.297 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.011 -3.219 -3.637 1.00 0.00 H new ATOM 523 N CYS A 37 8.432 -1.064 -1.688 1.00 0.00 N ATOM 524 CA CYS A 37 9.105 -0.008 -2.433 1.00 0.00 C ATOM 525 C CYS A 37 10.066 0.764 -1.533 1.00 0.00 C ATOM 526 O CYS A 37 11.071 1.304 -1.998 1.00 0.00 O ATOM 527 CB CYS A 37 8.078 0.950 -3.041 1.00 0.00 C ATOM 528 SG CYS A 37 7.318 2.087 -1.838 1.00 0.00 S ATOM 0 H CYS A 37 7.452 -0.874 -1.480 1.00 0.00 H new ATOM 0 HA CYS A 37 9.679 -0.472 -3.235 1.00 0.00 H new ATOM 0 HB2 CYS A 37 8.562 1.536 -3.823 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.292 0.366 -3.520 1.00 0.00 H new ATOM 533 N LYS A 38 9.752 0.811 -0.243 1.00 0.00 N ATOM 534 CA LYS A 38 10.587 1.515 0.723 1.00 0.00 C ATOM 535 C LYS A 38 10.531 3.022 0.496 1.00 0.00 C ATOM 536 O LYS A 38 11.555 3.703 0.537 1.00 0.00 O ATOM 537 CB LYS A 38 12.034 1.027 0.628 1.00 0.00 C ATOM 538 CG LYS A 38 12.174 -0.483 0.709 1.00 0.00 C ATOM 539 CD LYS A 38 12.140 -0.969 2.149 1.00 0.00 C ATOM 540 CE LYS A 38 13.520 -0.919 2.787 1.00 0.00 C ATOM 541 NZ LYS A 38 13.585 -1.733 4.032 1.00 0.00 N ATOM 0 H LYS A 38 8.925 0.370 0.158 1.00 0.00 H new ATOM 0 HA LYS A 38 10.203 1.302 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.464 1.373 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.615 1.481 1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.369 -0.955 0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.111 -0.788 0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.449 -0.354 2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.760 -1.990 2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.262 -1.283 2.076 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.777 0.115 3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.541 -1.673 4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.895 -1.371 4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.365 -2.725 3.810 1.00 0.00 H new ATOM 555 N GLN A 39 9.328 3.536 0.257 1.00 0.00 N ATOM 556 CA GLN A 39 9.140 4.963 0.023 1.00 0.00 C ATOM 557 C GLN A 39 9.054 5.723 1.343 1.00 0.00 C ATOM 558 O GLN A 39 8.166 5.472 2.159 1.00 0.00 O ATOM 559 CB GLN A 39 7.875 5.204 -0.802 1.00 0.00 C ATOM 560 CG GLN A 39 7.711 6.645 -1.256 1.00 0.00 C ATOM 561 CD GLN A 39 6.895 6.766 -2.528 1.00 0.00 C ATOM 562 OE1 GLN A 39 5.621 6.399 -2.452 1.00 0.00 O flip ATOM 563 NE2 GLN A 39 7.403 7.185 -3.568 1.00 0.00 N flip ATOM 0 H GLN A 39 8.470 2.986 0.220 1.00 0.00 H new ATOM 0 HA GLN A 39 10.002 5.332 -0.533 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.893 4.556 -1.678 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.005 4.917 -0.211 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.230 7.219 -0.464 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.695 7.086 -1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.386 7.456 -3.582 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.841 7.261 -4.416 1.00 0.00 H new ATOM 572 N PHE A 40 9.981 6.653 1.546 1.00 0.00 N ATOM 573 CA PHE A 40 10.010 7.450 2.767 1.00 0.00 C ATOM 574 C PHE A 40 10.520 8.860 2.485 1.00 0.00 C ATOM 575 O PHE A 40 11.581 9.057 1.892 1.00 0.00 O ATOM 576 CB PHE A 40 10.894 6.777 3.819 1.00 0.00 C ATOM 577 CG PHE A 40 10.450 7.037 5.230 1.00 0.00 C ATOM 578 CD1 PHE A 40 9.124 6.867 5.596 1.00 0.00 C ATOM 579 CD2 PHE A 40 11.359 7.450 6.191 1.00 0.00 C ATOM 580 CE1 PHE A 40 8.713 7.105 6.894 1.00 0.00 C ATOM 581 CE2 PHE A 40 10.953 7.689 7.490 1.00 0.00 C ATOM 582 CZ PHE A 40 9.628 7.518 7.842 1.00 0.00 C ATOM 0 H PHE A 40 10.722 6.873 0.881 1.00 0.00 H new ATOM 0 HA PHE A 40 8.992 7.521 3.149 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.902 5.702 3.641 1.00 0.00 H new ATOM 0 HB3 PHE A 40 11.919 7.127 3.699 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.404 6.545 4.859 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.396 7.587 5.922 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.677 6.968 7.167 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.671 8.009 8.230 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.309 7.707 8.856 1.00 0.00 H new ATOM 592 N PRO A 41 9.745 9.866 2.917 1.00 0.00 N ATOM 593 CA PRO A 41 8.479 9.644 3.623 1.00 0.00 C ATOM 594 C PRO A 41 7.399 9.075 2.709 1.00 0.00 C ATOM 595 O PRO A 41 7.526 9.112 1.485 1.00 0.00 O ATOM 596 CB PRO A 41 8.091 11.044 4.103 1.00 0.00 C ATOM 597 CG PRO A 41 8.762 11.972 3.150 1.00 0.00 C ATOM 598 CD PRO A 41 10.045 11.298 2.751 1.00 0.00 C ATOM 0 HA PRO A 41 8.582 8.916 4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.010 11.180 4.093 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.425 11.218 5.126 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.133 12.160 2.280 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.957 12.937 3.617 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.320 11.534 1.723 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.876 11.610 3.383 1.00 0.00 H new ATOM 606 N ILE A 42 6.337 8.550 3.312 1.00 0.00 N ATOM 607 CA ILE A 42 5.235 7.976 2.552 1.00 0.00 C ATOM 608 C ILE A 42 4.158 9.018 2.272 1.00 0.00 C ATOM 609 O ILE A 42 3.635 9.647 3.191 1.00 0.00 O ATOM 610 CB ILE A 42 4.600 6.785 3.294 1.00 0.00 C ATOM 611 CG1 ILE A 42 5.572 5.604 3.334 1.00 0.00 C ATOM 612 CG2 ILE A 42 3.294 6.380 2.626 1.00 0.00 C ATOM 613 CD1 ILE A 42 4.954 4.331 3.869 1.00 0.00 C ATOM 0 H ILE A 42 6.217 8.511 4.324 1.00 0.00 H new ATOM 0 HA ILE A 42 5.652 7.626 1.608 1.00 0.00 H new ATOM 0 HB ILE A 42 4.383 7.088 4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.949 5.420 2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.429 5.870 3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.857 5.537 3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.600 7.220 2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.488 6.092 1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.700 3.536 3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.602 4.498 4.887 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.114 4.041 3.237 1.00 0.00 H new ATOM 625 N GLU A 43 3.830 9.194 0.995 1.00 0.00 N ATOM 626 CA GLU A 43 2.814 10.161 0.595 1.00 0.00 C ATOM 627 C GLU A 43 1.428 9.522 0.587 1.00 0.00 C ATOM 628 O GLU A 43 0.428 10.179 0.870 1.00 0.00 O ATOM 629 CB GLU A 43 3.134 10.726 -0.791 1.00 0.00 C ATOM 630 CG GLU A 43 2.738 9.804 -1.931 1.00 0.00 C ATOM 631 CD GLU A 43 3.811 8.784 -2.257 1.00 0.00 C ATOM 632 OE1 GLU A 43 5.005 9.100 -2.077 1.00 0.00 O ATOM 633 OE2 GLU A 43 3.456 7.668 -2.692 1.00 0.00 O ATOM 0 H GLU A 43 4.252 8.681 0.221 1.00 0.00 H new ATOM 0 HA GLU A 43 2.817 10.974 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.621 11.680 -0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.203 10.928 -0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.816 9.285 -1.670 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.527 10.400 -2.819 1.00 0.00 H new ATOM 640 N GLY A 44 1.379 8.233 0.261 1.00 0.00 N ATOM 641 CA GLY A 44 0.112 7.526 0.222 1.00 0.00 C ATOM 642 C GLY A 44 -0.298 6.996 1.581 1.00 0.00 C ATOM 643 O GLY A 44 0.468 7.069 2.542 1.00 0.00 O ATOM 0 H GLY A 44 2.193 7.667 0.024 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.663 8.195 -0.152 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.184 6.697 -0.481 1.00 0.00 H new ATOM 647 N LYS A 45 -1.511 6.460 1.664 1.00 0.00 N ATOM 648 CA LYS A 45 -2.024 5.915 2.916 1.00 0.00 C ATOM 649 C LYS A 45 -0.985 5.020 3.584 1.00 0.00 C ATOM 650 O LYS A 45 0.018 4.653 2.972 1.00 0.00 O ATOM 651 CB LYS A 45 -3.309 5.123 2.663 1.00 0.00 C ATOM 652 CG LYS A 45 -4.570 5.963 2.763 1.00 0.00 C ATOM 653 CD LYS A 45 -5.040 6.094 4.203 1.00 0.00 C ATOM 654 CE LYS A 45 -5.812 7.386 4.421 1.00 0.00 C ATOM 655 NZ LYS A 45 -4.977 8.586 4.142 1.00 0.00 N ATOM 0 H LYS A 45 -2.158 6.391 0.878 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.244 6.748 3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.260 4.673 1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.369 4.305 3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.382 6.954 2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.358 5.510 2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.672 5.244 4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.180 6.065 4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.690 7.397 3.776 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.171 7.425 5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.225 9.344 4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.972 8.343 4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.150 8.911 3.169 1.00 0.00 H new ATOM 669 N CYS A 46 -1.234 4.670 4.841 1.00 0.00 N ATOM 670 CA CYS A 46 -0.321 3.816 5.593 1.00 0.00 C ATOM 671 C CYS A 46 -0.977 2.481 5.928 1.00 0.00 C ATOM 672 O CYS A 46 -1.908 2.420 6.731 1.00 0.00 O ATOM 673 CB CYS A 46 0.125 4.517 6.877 1.00 0.00 C ATOM 674 SG CYS A 46 1.225 3.525 7.915 1.00 0.00 S ATOM 0 H CYS A 46 -2.061 4.964 5.361 1.00 0.00 H new ATOM 0 HA CYS A 46 0.553 3.624 4.971 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.631 5.446 6.614 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.758 4.787 7.456 1.00 0.00 H new ATOM 0 HG CYS A 46 1.549 4.203 8.976 1.00 0.00 H new ATOM 680 N TYR A 47 -0.486 1.414 5.307 1.00 0.00 N ATOM 681 CA TYR A 47 -1.027 0.080 5.537 1.00 0.00 C ATOM 682 C TYR A 47 -0.043 -0.779 6.324 1.00 0.00 C ATOM 683 O TYR A 47 1.169 -0.570 6.264 1.00 0.00 O ATOM 684 CB TYR A 47 -1.359 -0.595 4.205 1.00 0.00 C ATOM 685 CG TYR A 47 -2.332 0.190 3.354 1.00 0.00 C ATOM 686 CD1 TYR A 47 -1.919 1.311 2.646 1.00 0.00 C ATOM 687 CD2 TYR A 47 -3.665 -0.192 3.258 1.00 0.00 C ATOM 688 CE1 TYR A 47 -2.805 2.031 1.868 1.00 0.00 C ATOM 689 CE2 TYR A 47 -4.558 0.522 2.482 1.00 0.00 C ATOM 690 CZ TYR A 47 -4.123 1.632 1.789 1.00 0.00 C ATOM 691 OH TYR A 47 -5.008 2.346 1.014 1.00 0.00 O ATOM 0 H TYR A 47 0.286 1.447 4.641 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.941 0.182 6.123 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.437 -0.745 3.643 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.776 -1.583 4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.887 1.625 2.705 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.009 -1.061 3.799 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.468 2.901 1.325 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.591 0.212 2.419 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.895 1.933 1.066 1.00 0.00 H new ATOM 701 N LYS A 48 -0.572 -1.749 7.062 1.00 0.00 N ATOM 702 CA LYS A 48 0.257 -2.643 7.861 1.00 0.00 C ATOM 703 C LYS A 48 -0.303 -4.062 7.847 1.00 0.00 C ATOM 704 O LYS A 48 -1.517 -4.261 7.878 1.00 0.00 O ATOM 705 CB LYS A 48 0.351 -2.135 9.301 1.00 0.00 C ATOM 706 CG LYS A 48 1.390 -2.862 10.137 1.00 0.00 C ATOM 707 CD LYS A 48 1.068 -2.783 11.619 1.00 0.00 C ATOM 708 CE LYS A 48 2.328 -2.857 12.468 1.00 0.00 C ATOM 709 NZ LYS A 48 2.995 -4.184 12.357 1.00 0.00 N ATOM 0 H LYS A 48 -1.573 -1.936 7.123 1.00 0.00 H new ATOM 0 HA LYS A 48 1.255 -2.660 7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.588 -1.071 9.287 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.624 -2.238 9.778 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.439 -3.907 9.830 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.373 -2.429 9.954 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.541 -1.852 11.829 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.397 -3.598 11.890 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.021 -2.075 12.158 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.075 -2.664 13.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.840 -4.200 12.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.337 -4.930 12.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.275 -4.350 11.369 1.00 0.00 H new ATOM 723 N CYS A 49 0.590 -5.045 7.801 1.00 0.00 N ATOM 724 CA CYS A 49 0.186 -6.446 7.784 1.00 0.00 C ATOM 725 C CYS A 49 -0.062 -6.958 9.200 1.00 0.00 C ATOM 726 O CYS A 49 0.847 -6.985 10.031 1.00 0.00 O ATOM 727 CB CYS A 49 1.257 -7.299 7.102 1.00 0.00 C ATOM 728 SG CYS A 49 0.746 -9.018 6.782 1.00 0.00 S ATOM 0 H CYS A 49 1.599 -4.897 7.775 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.744 -6.523 7.221 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.532 -6.831 6.157 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.151 -7.307 7.725 1.00 0.00 H new ATOM 733 N THR A 50 -1.299 -7.363 9.469 1.00 0.00 N ATOM 734 CA THR A 50 -1.667 -7.873 10.784 1.00 0.00 C ATOM 735 C THR A 50 -1.269 -9.337 10.937 1.00 0.00 C ATOM 736 O THR A 50 -1.544 -9.959 11.962 1.00 0.00 O ATOM 737 CB THR A 50 -3.181 -7.735 11.036 1.00 0.00 C ATOM 738 OG1 THR A 50 -3.885 -8.798 10.384 1.00 0.00 O ATOM 739 CG2 THR A 50 -3.694 -6.396 10.530 1.00 0.00 C ATOM 0 H THR A 50 -2.063 -7.348 8.794 1.00 0.00 H new ATOM 0 HA THR A 50 -1.128 -7.274 11.518 1.00 0.00 H new ATOM 0 HB THR A 50 -3.354 -7.790 12.111 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.829 -8.553 10.286 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.765 -6.322 10.719 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.177 -5.589 11.049 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.508 -6.316 9.459 1.00 0.00 H new ATOM 747 N GLU A 51 -0.621 -9.880 9.911 1.00 0.00 N ATOM 748 CA GLU A 51 -0.185 -11.271 9.934 1.00 0.00 C ATOM 749 C GLU A 51 1.337 -11.364 9.976 1.00 0.00 C ATOM 750 O GLU A 51 1.897 -12.353 10.452 1.00 0.00 O ATOM 751 CB GLU A 51 -0.719 -12.015 8.708 1.00 0.00 C ATOM 752 CG GLU A 51 -2.236 -12.071 8.642 1.00 0.00 C ATOM 753 CD GLU A 51 -2.744 -13.312 7.932 1.00 0.00 C ATOM 754 OE1 GLU A 51 -2.130 -14.386 8.105 1.00 0.00 O ATOM 755 OE2 GLU A 51 -3.754 -13.208 7.205 1.00 0.00 O ATOM 0 H GLU A 51 -0.387 -9.378 9.054 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.584 -11.736 10.835 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.342 -11.531 7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.326 -13.032 8.711 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.641 -12.044 9.654 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.606 -11.185 8.127 1.00 0.00 H new ATOM 762 N CYS A 52 2.002 -10.328 9.475 1.00 0.00 N ATOM 763 CA CYS A 52 3.459 -10.292 9.454 1.00 0.00 C ATOM 764 C CYS A 52 3.998 -9.439 10.599 1.00 0.00 C ATOM 765 O CYS A 52 3.238 -8.963 11.443 1.00 0.00 O ATOM 766 CB CYS A 52 3.957 -9.742 8.116 1.00 0.00 C ATOM 767 SG CYS A 52 3.958 -10.965 6.765 1.00 0.00 S ATOM 0 H CYS A 52 1.554 -9.502 9.078 1.00 0.00 H new ATOM 0 HA CYS A 52 3.825 -11.311 9.579 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.332 -8.897 7.827 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.969 -9.359 8.246 1.00 0.00 H new ATOM 772 N ILE A 53 5.313 -9.250 10.620 1.00 0.00 N ATOM 773 CA ILE A 53 5.954 -8.454 11.659 1.00 0.00 C ATOM 774 C ILE A 53 6.704 -7.269 11.060 1.00 0.00 C ATOM 775 O ILE A 53 7.390 -7.404 10.047 1.00 0.00 O ATOM 776 CB ILE A 53 6.935 -9.300 12.492 1.00 0.00 C ATOM 777 CG1 ILE A 53 6.185 -10.413 13.227 1.00 0.00 C ATOM 778 CG2 ILE A 53 7.687 -8.420 13.479 1.00 0.00 C ATOM 779 CD1 ILE A 53 7.070 -11.242 14.132 1.00 0.00 C ATOM 0 H ILE A 53 5.955 -9.637 9.929 1.00 0.00 H new ATOM 0 HA ILE A 53 5.160 -8.087 12.310 1.00 0.00 H new ATOM 0 HB ILE A 53 7.659 -9.758 11.819 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.385 -9.971 13.821 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.713 -11.068 12.494 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.376 -9.032 14.060 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.247 -7.660 12.935 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.977 -7.937 14.150 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.472 -12.011 14.620 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.855 -11.713 13.541 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.521 -10.599 14.888 1.00 0.00 H new ATOM 791 N GLU A 54 6.569 -6.109 11.695 1.00 0.00 N ATOM 792 CA GLU A 54 7.236 -4.900 11.224 1.00 0.00 C ATOM 793 C GLU A 54 7.082 -4.747 9.714 1.00 0.00 C ATOM 794 O GLU A 54 8.068 -4.618 8.988 1.00 0.00 O ATOM 795 CB GLU A 54 8.720 -4.931 11.596 1.00 0.00 C ATOM 796 CG GLU A 54 8.976 -4.813 13.089 1.00 0.00 C ATOM 797 CD GLU A 54 10.319 -4.183 13.402 1.00 0.00 C ATOM 798 OE1 GLU A 54 11.313 -4.541 12.736 1.00 0.00 O ATOM 799 OE2 GLU A 54 10.376 -3.331 14.314 1.00 0.00 O ATOM 0 H GLU A 54 6.005 -5.981 12.535 1.00 0.00 H new ATOM 0 HA GLU A 54 6.766 -4.044 11.708 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.157 -5.861 11.233 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.232 -4.117 11.083 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.185 -4.217 13.544 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.929 -5.804 13.541 1.00 0.00 H new ATOM 806 N TYR A 55 5.838 -4.762 9.248 1.00 0.00 N ATOM 807 CA TYR A 55 5.554 -4.628 7.824 1.00 0.00 C ATOM 808 C TYR A 55 4.546 -3.510 7.572 1.00 0.00 C ATOM 809 O TYR A 55 3.527 -3.411 8.256 1.00 0.00 O ATOM 810 CB TYR A 55 5.019 -5.946 7.262 1.00 0.00 C ATOM 811 CG TYR A 55 5.224 -6.097 5.772 1.00 0.00 C ATOM 812 CD1 TYR A 55 6.430 -6.559 5.260 1.00 0.00 C ATOM 813 CD2 TYR A 55 4.212 -5.776 4.876 1.00 0.00 C ATOM 814 CE1 TYR A 55 6.622 -6.698 3.899 1.00 0.00 C ATOM 815 CE2 TYR A 55 4.394 -5.913 3.513 1.00 0.00 C ATOM 816 CZ TYR A 55 5.601 -6.374 3.030 1.00 0.00 C ATOM 817 OH TYR A 55 5.787 -6.511 1.673 1.00 0.00 O ATOM 0 H TYR A 55 5.011 -4.866 9.835 1.00 0.00 H new ATOM 0 HA TYR A 55 6.485 -4.375 7.317 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.509 -6.775 7.773 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.954 -6.020 7.483 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.231 -6.814 5.938 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.267 -5.413 5.251 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.566 -7.058 3.518 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.596 -5.661 2.830 1.00 0.00 H new ATOM 0 HH TYR A 55 4.971 -6.242 1.202 1.00 0.00 H new ATOM 827 N HIS A 56 4.840 -2.668 6.586 1.00 0.00 N ATOM 828 CA HIS A 56 3.960 -1.557 6.242 1.00 0.00 C ATOM 829 C HIS A 56 4.056 -1.228 4.755 1.00 0.00 C ATOM 830 O HIS A 56 5.149 -1.174 4.190 1.00 0.00 O ATOM 831 CB HIS A 56 4.313 -0.323 7.073 1.00 0.00 C ATOM 832 CG HIS A 56 4.477 -0.612 8.533 1.00 0.00 C ATOM 833 ND1 HIS A 56 5.580 -1.256 9.053 1.00 0.00 N ATOM 834 CD2 HIS A 56 3.672 -0.338 9.586 1.00 0.00 C ATOM 835 CE1 HIS A 56 5.444 -1.368 10.363 1.00 0.00 C ATOM 836 NE2 HIS A 56 4.295 -0.818 10.711 1.00 0.00 N ATOM 0 H HIS A 56 5.680 -2.734 6.012 1.00 0.00 H new ATOM 0 HA HIS A 56 2.935 -1.855 6.465 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.237 0.110 6.691 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.532 0.427 6.945 1.00 0.00 H new ATOM 0 HD1 HIS A 56 6.376 -1.593 8.512 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.717 0.165 9.548 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.152 -1.831 11.035 1.00 0.00 H new ATOM 844 N LEU A 57 2.906 -1.011 4.127 1.00 0.00 N ATOM 845 CA LEU A 57 2.860 -0.688 2.705 1.00 0.00 C ATOM 846 C LEU A 57 2.240 0.687 2.478 1.00 0.00 C ATOM 847 O LEU A 57 1.628 1.260 3.380 1.00 0.00 O ATOM 848 CB LEU A 57 2.064 -1.751 1.946 1.00 0.00 C ATOM 849 CG LEU A 57 2.830 -3.018 1.564 1.00 0.00 C ATOM 850 CD1 LEU A 57 1.931 -3.973 0.794 1.00 0.00 C ATOM 851 CD2 LEU A 57 4.064 -2.668 0.745 1.00 0.00 C ATOM 0 H LEU A 57 1.993 -1.053 4.580 1.00 0.00 H new ATOM 0 HA LEU A 57 3.883 -0.671 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.207 -2.038 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.670 -1.300 1.035 1.00 0.00 H new ATOM 0 HG LEU A 57 3.154 -3.514 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.493 -4.869 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.078 -4.249 1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.577 -3.486 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.597 -3.582 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.762 -2.149 -0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.718 -2.022 1.331 1.00 0.00 H new ATOM 863 N CYS A 58 2.399 1.210 1.267 1.00 0.00 N ATOM 864 CA CYS A 58 1.854 2.517 0.920 1.00 0.00 C ATOM 865 C CYS A 58 0.736 2.384 -0.110 1.00 0.00 C ATOM 866 O CYS A 58 0.735 1.459 -0.922 1.00 0.00 O ATOM 867 CB CYS A 58 2.958 3.426 0.376 1.00 0.00 C ATOM 868 SG CYS A 58 3.815 2.760 -1.087 1.00 0.00 S ATOM 0 H CYS A 58 2.901 0.748 0.509 1.00 0.00 H new ATOM 0 HA CYS A 58 1.440 2.962 1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.525 4.393 0.121 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.690 3.602 1.164 1.00 0.00 H new ATOM 873 N GLN A 59 -0.213 3.314 -0.069 1.00 0.00 N ATOM 874 CA GLN A 59 -1.336 3.300 -0.999 1.00 0.00 C ATOM 875 C GLN A 59 -0.890 2.844 -2.385 1.00 0.00 C ATOM 876 O GLN A 59 -1.580 2.068 -3.044 1.00 0.00 O ATOM 877 CB GLN A 59 -1.972 4.688 -1.085 1.00 0.00 C ATOM 878 CG GLN A 59 -2.958 4.836 -2.232 1.00 0.00 C ATOM 879 CD GLN A 59 -4.222 4.025 -2.023 1.00 0.00 C ATOM 880 OE1 GLN A 59 -5.233 4.541 -1.546 1.00 0.00 O ATOM 881 NE2 GLN A 59 -4.171 2.747 -2.380 1.00 0.00 N ATOM 0 H GLN A 59 -0.227 4.086 0.598 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.076 2.592 -0.625 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.484 4.903 -0.147 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.184 5.433 -1.196 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.220 5.888 -2.347 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.480 4.523 -3.160 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.312 2.361 -2.771 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.991 2.152 -2.263 1.00 0.00 H new ATOM 890 N GLU A 60 0.267 3.334 -2.819 1.00 0.00 N ATOM 891 CA GLU A 60 0.803 2.977 -4.127 1.00 0.00 C ATOM 892 C GLU A 60 0.974 1.466 -4.252 1.00 0.00 C ATOM 893 O GLU A 60 0.323 0.822 -5.075 1.00 0.00 O ATOM 894 CB GLU A 60 2.146 3.674 -4.360 1.00 0.00 C ATOM 895 CG GLU A 60 2.413 4.009 -5.818 1.00 0.00 C ATOM 896 CD GLU A 60 3.871 4.329 -6.085 1.00 0.00 C ATOM 897 OE1 GLU A 60 4.697 3.393 -6.066 1.00 0.00 O ATOM 898 OE2 GLU A 60 4.184 5.516 -6.314 1.00 0.00 O ATOM 0 H GLU A 60 0.850 3.978 -2.285 1.00 0.00 H new ATOM 0 HA GLU A 60 0.093 3.309 -4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.176 4.592 -3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.947 3.034 -3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.109 3.168 -6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.799 4.861 -6.110 1.00 0.00 H new ATOM 905 N CYS A 61 1.855 0.906 -3.429 1.00 0.00 N ATOM 906 CA CYS A 61 2.114 -0.528 -3.447 1.00 0.00 C ATOM 907 C CYS A 61 0.818 -1.317 -3.277 1.00 0.00 C ATOM 908 O CYS A 61 0.643 -2.379 -3.875 1.00 0.00 O ATOM 909 CB CYS A 61 3.101 -0.903 -2.339 1.00 0.00 C ATOM 910 SG CYS A 61 4.842 -0.558 -2.746 1.00 0.00 S ATOM 0 H CYS A 61 2.401 1.424 -2.741 1.00 0.00 H new ATOM 0 HA CYS A 61 2.549 -0.781 -4.414 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.836 -0.359 -1.432 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.995 -1.965 -2.116 1.00 0.00 H new ATOM 915 N PHE A 62 -0.086 -0.789 -2.459 1.00 0.00 N ATOM 916 CA PHE A 62 -1.365 -1.444 -2.209 1.00 0.00 C ATOM 917 C PHE A 62 -2.159 -1.596 -3.504 1.00 0.00 C ATOM 918 O PHE A 62 -2.906 -2.559 -3.677 1.00 0.00 O ATOM 919 CB PHE A 62 -2.180 -0.646 -1.189 1.00 0.00 C ATOM 920 CG PHE A 62 -3.271 -1.446 -0.536 1.00 0.00 C ATOM 921 CD1 PHE A 62 -2.986 -2.301 0.516 1.00 0.00 C ATOM 922 CD2 PHE A 62 -4.581 -1.342 -0.975 1.00 0.00 C ATOM 923 CE1 PHE A 62 -3.988 -3.038 1.119 1.00 0.00 C ATOM 924 CE2 PHE A 62 -5.587 -2.076 -0.376 1.00 0.00 C ATOM 925 CZ PHE A 62 -5.290 -2.926 0.672 1.00 0.00 C ATOM 0 H PHE A 62 0.043 0.090 -1.958 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.165 -2.437 -1.806 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.510 -0.264 -0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.621 0.219 -1.685 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.969 -2.393 0.869 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.819 -0.680 -1.794 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.753 -3.701 1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.604 -1.985 -0.727 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.074 -3.502 1.141 1.00 0.00 H new ATOM 935 N ASP A 63 -1.993 -0.638 -4.409 1.00 0.00 N ATOM 936 CA ASP A 63 -2.693 -0.664 -5.687 1.00 0.00 C ATOM 937 C ASP A 63 -2.399 -1.957 -6.442 1.00 0.00 C ATOM 938 O ASP A 63 -3.222 -2.432 -7.224 1.00 0.00 O ATOM 939 CB ASP A 63 -2.290 0.541 -6.539 1.00 0.00 C ATOM 940 CG ASP A 63 -2.898 0.498 -7.927 1.00 0.00 C ATOM 941 OD1 ASP A 63 -2.428 -0.308 -8.756 1.00 0.00 O ATOM 942 OD2 ASP A 63 -3.845 1.272 -8.184 1.00 0.00 O ATOM 0 H ASP A 63 -1.379 0.167 -4.281 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.763 -0.616 -5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.601 1.457 -6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.204 0.576 -6.622 1.00 0.00 H new ATOM 947 N SER A 64 -1.220 -2.521 -6.201 1.00 0.00 N ATOM 948 CA SER A 64 -0.814 -3.757 -6.861 1.00 0.00 C ATOM 949 C SER A 64 -1.494 -4.963 -6.220 1.00 0.00 C ATOM 950 O SER A 64 -1.671 -6.001 -6.858 1.00 0.00 O ATOM 951 CB SER A 64 0.706 -3.919 -6.797 1.00 0.00 C ATOM 952 OG SER A 64 1.134 -5.019 -7.581 1.00 0.00 O ATOM 0 H SER A 64 -0.529 -2.142 -5.554 1.00 0.00 H new ATOM 0 HA SER A 64 -1.122 -3.701 -7.905 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.187 -3.007 -7.150 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.016 -4.063 -5.762 1.00 0.00 H new ATOM 0 HG SER A 64 2.109 -5.101 -7.525 1.00 0.00 H new ATOM 958 N TYR A 65 -1.871 -4.818 -4.955 1.00 0.00 N ATOM 959 CA TYR A 65 -2.529 -5.896 -4.225 1.00 0.00 C ATOM 960 C TYR A 65 -1.657 -7.148 -4.201 1.00 0.00 C ATOM 961 O TYR A 65 -2.143 -8.260 -4.413 1.00 0.00 O ATOM 962 CB TYR A 65 -3.884 -6.216 -4.858 1.00 0.00 C ATOM 963 CG TYR A 65 -4.974 -5.239 -4.481 1.00 0.00 C ATOM 964 CD1 TYR A 65 -4.911 -3.909 -4.880 1.00 0.00 C ATOM 965 CD2 TYR A 65 -6.067 -5.645 -3.726 1.00 0.00 C ATOM 966 CE1 TYR A 65 -5.905 -3.013 -4.538 1.00 0.00 C ATOM 967 CE2 TYR A 65 -7.066 -4.755 -3.380 1.00 0.00 C ATOM 968 CZ TYR A 65 -6.980 -3.441 -3.788 1.00 0.00 C ATOM 969 OH TYR A 65 -7.973 -2.551 -3.444 1.00 0.00 O ATOM 0 H TYR A 65 -1.733 -3.965 -4.413 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.685 -5.564 -3.199 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.776 -6.226 -5.943 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.188 -7.219 -4.559 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.070 -3.570 -5.468 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.137 -6.673 -3.404 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.841 -1.983 -4.856 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.910 -5.087 -2.793 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.658 -3.013 -2.916 1.00 0.00 H new ATOM 979 N CYS A 66 -0.369 -6.959 -3.940 1.00 0.00 N ATOM 980 CA CYS A 66 0.572 -8.072 -3.887 1.00 0.00 C ATOM 981 C CYS A 66 0.508 -8.775 -2.535 1.00 0.00 C ATOM 982 O CYS A 66 0.108 -9.936 -2.446 1.00 0.00 O ATOM 983 CB CYS A 66 1.995 -7.578 -4.152 1.00 0.00 C ATOM 984 SG CYS A 66 3.227 -8.897 -4.260 1.00 0.00 S ATOM 0 H CYS A 66 0.048 -6.045 -3.762 1.00 0.00 H new ATOM 0 HA CYS A 66 0.294 -8.787 -4.661 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.004 -7.011 -5.083 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.283 -6.891 -3.357 1.00 0.00 H new ATOM 0 HG CYS A 66 4.398 -8.380 -4.488 1.00 0.00 H new ATOM 990 N HIS A 67 0.906 -8.064 -1.485 1.00 0.00 N ATOM 991 CA HIS A 67 0.895 -8.620 -0.137 1.00 0.00 C ATOM 992 C HIS A 67 -0.533 -8.753 0.384 1.00 0.00 C ATOM 993 O HIS A 67 -0.775 -9.399 1.405 1.00 0.00 O ATOM 994 CB HIS A 67 1.715 -7.740 0.807 1.00 0.00 C ATOM 995 CG HIS A 67 2.313 -8.491 1.958 1.00 0.00 C ATOM 996 ND1 HIS A 67 3.668 -8.528 2.209 1.00 0.00 N ATOM 997 CD2 HIS A 67 1.731 -9.234 2.928 1.00 0.00 C ATOM 998 CE1 HIS A 67 3.894 -9.263 3.284 1.00 0.00 C ATOM 999 NE2 HIS A 67 2.734 -9.703 3.739 1.00 0.00 N ATOM 0 H HIS A 67 1.240 -7.102 -1.542 1.00 0.00 H new ATOM 0 HA HIS A 67 1.343 -9.613 -0.176 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.514 -7.261 0.242 1.00 0.00 H new ATOM 0 HB3 HIS A 67 1.078 -6.945 1.194 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.384 -8.061 1.652 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.674 -9.423 3.043 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.862 -9.469 3.717 1.00 0.00 H new ATOM 1007 N LEU A 68 -1.475 -8.138 -0.322 1.00 0.00 N ATOM 1008 CA LEU A 68 -2.879 -8.187 0.069 1.00 0.00 C ATOM 1009 C LEU A 68 -3.266 -9.586 0.538 1.00 0.00 C ATOM 1010 O LEU A 68 -4.217 -9.756 1.300 1.00 0.00 O ATOM 1011 CB LEU A 68 -3.770 -7.764 -1.100 1.00 0.00 C ATOM 1012 CG LEU A 68 -4.148 -6.283 -1.155 1.00 0.00 C ATOM 1013 CD1 LEU A 68 -5.413 -6.025 -0.351 1.00 0.00 C ATOM 1014 CD2 LEU A 68 -3.003 -5.421 -0.643 1.00 0.00 C ATOM 0 H LEU A 68 -1.292 -7.599 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.024 -7.493 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.263 -8.024 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.687 -8.351 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.341 -6.015 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.667 -4.966 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.232 -6.614 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.248 -6.309 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.290 -4.370 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.778 -5.691 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.120 -5.584 -1.261 1.00 0.00 H new ATOM 1026 N SER A 69 -2.520 -10.586 0.077 1.00 0.00 N ATOM 1027 CA SER A 69 -2.785 -11.971 0.448 1.00 0.00 C ATOM 1028 C SER A 69 -3.042 -12.092 1.947 1.00 0.00 C ATOM 1029 O SER A 69 -3.797 -12.959 2.391 1.00 0.00 O ATOM 1030 CB SER A 69 -1.609 -12.863 0.046 1.00 0.00 C ATOM 1031 OG SER A 69 -1.359 -12.781 -1.346 1.00 0.00 O ATOM 0 H SER A 69 -1.728 -10.462 -0.554 1.00 0.00 H new ATOM 0 HA SER A 69 -3.678 -12.299 -0.083 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.717 -12.564 0.597 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.822 -13.896 0.320 1.00 0.00 H new ATOM 0 HG SER A 69 -0.602 -13.359 -1.577 1.00 0.00 H new ATOM 1037 N HIS A 70 -2.409 -11.218 2.722 1.00 0.00 N ATOM 1038 CA HIS A 70 -2.569 -11.226 4.172 1.00 0.00 C ATOM 1039 C HIS A 70 -3.565 -10.158 4.615 1.00 0.00 C ATOM 1040 O HIS A 70 -4.011 -9.338 3.812 1.00 0.00 O ATOM 1041 CB HIS A 70 -1.221 -10.997 4.856 1.00 0.00 C ATOM 1042 CG HIS A 70 -0.397 -12.241 4.988 1.00 0.00 C ATOM 1043 ND1 HIS A 70 0.917 -12.233 5.405 1.00 0.00 N ATOM 1044 CD2 HIS A 70 -0.709 -13.538 4.757 1.00 0.00 C ATOM 1045 CE1 HIS A 70 1.379 -13.471 5.423 1.00 0.00 C ATOM 1046 NE2 HIS A 70 0.411 -14.282 5.035 1.00 0.00 N ATOM 0 H HIS A 70 -1.781 -10.495 2.371 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.956 -12.202 4.465 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.657 -10.256 4.290 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.393 -10.578 5.847 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.662 -13.917 4.417 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.378 -13.769 5.707 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.484 -15.296 4.955 1.00 0.00 H new ATOM 1054 N THR A 71 -3.911 -10.175 5.898 1.00 0.00 N ATOM 1055 CA THR A 71 -4.856 -9.210 6.448 1.00 0.00 C ATOM 1056 C THR A 71 -4.176 -7.875 6.731 1.00 0.00 C ATOM 1057 O THR A 71 -3.475 -7.724 7.732 1.00 0.00 O ATOM 1058 CB THR A 71 -5.500 -9.731 7.746 1.00 0.00 C ATOM 1059 OG1 THR A 71 -5.954 -11.077 7.562 1.00 0.00 O ATOM 1060 CG2 THR A 71 -6.667 -8.849 8.163 1.00 0.00 C ATOM 0 H THR A 71 -3.551 -10.846 6.576 1.00 0.00 H new ATOM 0 HA THR A 71 -5.634 -9.067 5.698 1.00 0.00 H new ATOM 0 HB THR A 71 -4.747 -9.707 8.534 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.182 -11.678 7.505 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.106 -9.237 9.082 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.313 -7.832 8.331 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.420 -8.845 7.375 1.00 0.00 H new ATOM 1068 N PHE A 72 -4.388 -6.908 5.844 1.00 0.00 N ATOM 1069 CA PHE A 72 -3.795 -5.585 6.000 1.00 0.00 C ATOM 1070 C PHE A 72 -4.806 -4.601 6.581 1.00 0.00 C ATOM 1071 O PHE A 72 -5.996 -4.901 6.681 1.00 0.00 O ATOM 1072 CB PHE A 72 -3.282 -5.071 4.653 1.00 0.00 C ATOM 1073 CG PHE A 72 -1.844 -5.414 4.389 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -1.388 -6.713 4.543 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -0.948 -4.437 3.987 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -0.065 -7.032 4.300 1.00 0.00 C ATOM 1077 CE2 PHE A 72 0.376 -4.750 3.743 1.00 0.00 C ATOM 1078 CZ PHE A 72 0.818 -6.049 3.901 1.00 0.00 C ATOM 0 H PHE A 72 -4.966 -7.016 5.010 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.957 -5.669 6.692 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.899 -5.486 3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.401 -3.988 4.617 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.074 -7.486 4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.288 -3.419 3.863 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.277 -8.049 4.422 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.064 -3.979 3.429 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.853 -6.295 3.713 1.00 0.00 H new ATOM 1088 N THR A 73 -4.324 -3.423 6.963 1.00 0.00 N ATOM 1089 CA THR A 73 -5.183 -2.394 7.536 1.00 0.00 C ATOM 1090 C THR A 73 -4.608 -1.003 7.299 1.00 0.00 C ATOM 1091 O THR A 73 -3.401 -0.790 7.419 1.00 0.00 O ATOM 1092 CB THR A 73 -5.380 -2.605 9.049 1.00 0.00 C ATOM 1093 OG1 THR A 73 -4.113 -2.813 9.684 1.00 0.00 O ATOM 1094 CG2 THR A 73 -6.288 -3.796 9.316 1.00 0.00 C ATOM 0 H THR A 73 -3.342 -3.157 6.886 1.00 0.00 H new ATOM 0 HA THR A 73 -6.149 -2.475 7.037 1.00 0.00 H new ATOM 0 HB THR A 73 -5.850 -1.711 9.460 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.247 -2.945 10.646 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.412 -3.925 10.391 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.261 -3.622 8.857 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.842 -4.696 8.892 1.00 0.00 H new ATOM 1102 N PHE A 74 -5.479 -0.057 6.962 1.00 0.00 N ATOM 1103 CA PHE A 74 -5.057 1.315 6.707 1.00 0.00 C ATOM 1104 C PHE A 74 -5.427 2.223 7.876 1.00 0.00 C ATOM 1105 O PHE A 74 -6.453 2.028 8.528 1.00 0.00 O ATOM 1106 CB PHE A 74 -5.697 1.837 5.419 1.00 0.00 C ATOM 1107 CG PHE A 74 -7.129 2.260 5.589 1.00 0.00 C ATOM 1108 CD1 PHE A 74 -8.157 1.340 5.455 1.00 0.00 C ATOM 1109 CD2 PHE A 74 -7.446 3.576 5.883 1.00 0.00 C ATOM 1110 CE1 PHE A 74 -9.475 1.725 5.612 1.00 0.00 C ATOM 1111 CE2 PHE A 74 -8.763 3.967 6.041 1.00 0.00 C ATOM 1112 CZ PHE A 74 -9.778 3.040 5.904 1.00 0.00 C ATOM 0 H PHE A 74 -6.481 -0.216 6.859 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.973 1.320 6.594 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.117 2.684 5.052 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.644 1.060 4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.925 0.310 5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.656 4.305 5.990 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.267 0.998 5.506 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.998 4.996 6.271 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.807 3.344 6.025 1.00 0.00 H new ATOM 1122 N ARG A 75 -4.583 3.217 8.136 1.00 0.00 N ATOM 1123 CA ARG A 75 -4.819 4.154 9.227 1.00 0.00 C ATOM 1124 C ARG A 75 -5.397 5.465 8.702 1.00 0.00 C ATOM 1125 O ARG A 75 -5.603 5.626 7.500 1.00 0.00 O ATOM 1126 CB ARG A 75 -3.518 4.425 9.985 1.00 0.00 C ATOM 1127 CG ARG A 75 -2.483 5.181 9.168 1.00 0.00 C ATOM 1128 CD ARG A 75 -2.611 6.684 9.360 1.00 0.00 C ATOM 1129 NE ARG A 75 -1.556 7.417 8.664 1.00 0.00 N ATOM 1130 CZ ARG A 75 -1.619 7.754 7.381 1.00 0.00 C ATOM 1131 NH1 ARG A 75 -2.680 7.427 6.657 1.00 0.00 N ATOM 1132 NH2 ARG A 75 -0.618 8.421 6.820 1.00 0.00 N ATOM 0 H ARG A 75 -3.730 3.394 7.606 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.542 3.705 9.908 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.744 4.995 10.886 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.091 3.475 10.308 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.483 4.860 9.459 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.602 4.937 8.112 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.583 7.014 8.995 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.574 6.918 10.424 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.726 7.685 9.192 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.451 6.915 7.085 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.725 7.687 5.672 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.200 8.675 7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.666 8.680 5.835 1.00 0.00 H new ATOM 1146 N GLU A 76 -5.655 6.399 9.613 1.00 0.00 N ATOM 1147 CA GLU A 76 -6.210 7.695 9.241 1.00 0.00 C ATOM 1148 C GLU A 76 -5.447 8.829 9.919 1.00 0.00 C ATOM 1149 O GLU A 76 -4.664 8.601 10.841 1.00 0.00 O ATOM 1150 CB GLU A 76 -7.692 7.767 9.617 1.00 0.00 C ATOM 1151 CG GLU A 76 -8.597 6.988 8.677 1.00 0.00 C ATOM 1152 CD GLU A 76 -10.064 7.125 9.034 1.00 0.00 C ATOM 1153 OE1 GLU A 76 -10.429 6.793 10.181 1.00 0.00 O ATOM 1154 OE2 GLU A 76 -10.848 7.563 8.166 1.00 0.00 O ATOM 0 H GLU A 76 -5.489 6.282 10.613 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.110 7.808 8.161 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.820 7.386 10.630 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.005 8.811 9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.441 7.337 7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.318 5.935 8.700 1.00 0.00 H new ATOM 1161 N LYS A 77 -5.679 10.051 9.453 1.00 0.00 N ATOM 1162 CA LYS A 77 -5.015 11.223 10.013 1.00 0.00 C ATOM 1163 C LYS A 77 -5.103 11.222 11.536 1.00 0.00 C ATOM 1164 O LYS A 77 -5.928 10.518 12.119 1.00 0.00 O ATOM 1165 CB LYS A 77 -5.641 12.504 9.457 1.00 0.00 C ATOM 1166 CG LYS A 77 -7.160 12.490 9.459 1.00 0.00 C ATOM 1167 CD LYS A 77 -7.727 13.307 8.310 1.00 0.00 C ATOM 1168 CE LYS A 77 -7.987 14.747 8.725 1.00 0.00 C ATOM 1169 NZ LYS A 77 -9.351 14.921 9.297 1.00 0.00 N ATOM 0 H LYS A 77 -6.322 10.256 8.688 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.964 11.185 9.727 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.293 13.353 10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.289 12.657 8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.515 11.462 9.386 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.527 12.888 10.405 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.031 13.289 7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.656 12.854 7.963 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.243 15.053 9.460 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.869 15.401 7.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.490 15.916 9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.062 14.653 8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.455 14.316 10.137 1.00 0.00 H new ATOM 1183 N ARG A 78 -4.248 12.015 12.174 1.00 0.00 N ATOM 1184 CA ARG A 78 -4.230 12.106 13.629 1.00 0.00 C ATOM 1185 C ARG A 78 -5.646 12.063 14.194 1.00 0.00 C ATOM 1186 O ARG A 78 -6.609 12.410 13.511 1.00 0.00 O ATOM 1187 CB ARG A 78 -3.531 13.392 14.072 1.00 0.00 C ATOM 1188 CG ARG A 78 -2.028 13.241 14.242 1.00 0.00 C ATOM 1189 CD ARG A 78 -1.662 12.888 15.675 1.00 0.00 C ATOM 1190 NE ARG A 78 -2.192 13.858 16.630 1.00 0.00 N ATOM 1191 CZ ARG A 78 -1.863 13.877 17.917 1.00 0.00 C ATOM 1192 NH1 ARG A 78 -1.010 12.984 18.400 1.00 0.00 N ATOM 1193 NH2 ARG A 78 -2.388 14.791 18.723 1.00 0.00 N ATOM 0 H ARG A 78 -3.559 12.604 11.706 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.678 11.249 14.015 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.728 14.174 13.339 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.963 13.724 15.016 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.661 12.465 13.570 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.533 14.170 13.957 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.047 11.897 15.914 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.577 12.840 15.771 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.851 14.559 16.290 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.605 12.280 17.783 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.759 13.001 19.389 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.044 15.479 18.355 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.135 14.805 19.711 1.00 0.00 H new ATOM 1207 N ASN A 79 -5.765 11.634 15.446 1.00 0.00 N ATOM 1208 CA ASN A 79 -7.064 11.545 16.104 1.00 0.00 C ATOM 1209 C ASN A 79 -7.941 10.490 15.435 1.00 0.00 C ATOM 1210 O ASN A 79 -9.156 10.653 15.333 1.00 0.00 O ATOM 1211 CB ASN A 79 -7.769 12.903 16.073 1.00 0.00 C ATOM 1212 CG ASN A 79 -8.779 13.055 17.194 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -9.364 12.075 17.655 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -8.988 14.289 17.638 1.00 0.00 N ATOM 0 H ASN A 79 -4.978 11.342 16.026 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.899 11.252 17.141 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.026 13.697 16.147 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.273 13.026 15.114 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.656 14.454 18.391 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -8.480 15.072 17.226 1.00 0.00 H new ATOM 1221 N GLN A 80 -7.314 9.408 14.983 1.00 0.00 N ATOM 1222 CA GLN A 80 -8.037 8.327 14.325 1.00 0.00 C ATOM 1223 C GLN A 80 -7.414 6.975 14.656 1.00 0.00 C ATOM 1224 O GLN A 80 -6.363 6.903 15.292 1.00 0.00 O ATOM 1225 CB GLN A 80 -8.048 8.539 12.810 1.00 0.00 C ATOM 1226 CG GLN A 80 -8.566 9.906 12.391 1.00 0.00 C ATOM 1227 CD GLN A 80 -10.021 10.116 12.760 1.00 0.00 C ATOM 1228 OE1 GLN A 80 -10.388 11.148 13.324 1.00 0.00 O ATOM 1229 NE2 GLN A 80 -10.860 9.137 12.442 1.00 0.00 N ATOM 0 H GLN A 80 -6.308 9.257 15.061 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.063 8.334 14.693 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.036 8.410 12.426 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.665 7.768 12.348 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.960 10.680 12.862 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.448 10.021 11.313 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.513 8.299 11.975 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.852 9.223 12.665 1.00 0.00 H new ATOM 1238 N LYS A 81 -8.070 5.904 14.221 1.00 0.00 N ATOM 1239 CA LYS A 81 -7.580 4.553 14.469 1.00 0.00 C ATOM 1240 C LYS A 81 -7.582 3.729 13.186 1.00 0.00 C ATOM 1241 O LYS A 81 -8.305 4.039 12.239 1.00 0.00 O ATOM 1242 CB LYS A 81 -8.441 3.864 15.531 1.00 0.00 C ATOM 1243 CG LYS A 81 -8.325 4.493 16.909 1.00 0.00 C ATOM 1244 CD LYS A 81 -9.332 5.616 17.096 1.00 0.00 C ATOM 1245 CE LYS A 81 -9.495 5.980 18.563 1.00 0.00 C ATOM 1246 NZ LYS A 81 -8.323 6.739 19.080 1.00 0.00 N ATOM 0 H LYS A 81 -8.943 5.946 13.695 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.555 4.626 14.831 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.484 3.891 15.215 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.154 2.814 15.594 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.483 3.731 17.672 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.316 4.881 17.049 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.008 6.493 16.536 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.296 5.314 16.686 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.399 6.576 18.691 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.627 5.071 19.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.473 6.968 20.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.464 6.161 18.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.212 7.619 18.537 1.00 0.00 H new ATOM 1260 N TRP A 82 -6.769 2.679 13.162 1.00 0.00 N ATOM 1261 CA TRP A 82 -6.679 1.809 11.994 1.00 0.00 C ATOM 1262 C TRP A 82 -8.066 1.417 11.499 1.00 0.00 C ATOM 1263 O TRP A 82 -9.066 1.648 12.178 1.00 0.00 O ATOM 1264 CB TRP A 82 -5.869 0.555 12.328 1.00 0.00 C ATOM 1265 CG TRP A 82 -4.508 0.856 12.877 1.00 0.00 C ATOM 1266 CD1 TRP A 82 -4.152 0.928 14.194 1.00 0.00 C ATOM 1267 CD2 TRP A 82 -3.321 1.127 12.124 1.00 0.00 C ATOM 1268 NE1 TRP A 82 -2.816 1.227 14.304 1.00 0.00 N ATOM 1269 CE2 TRP A 82 -2.283 1.354 13.049 1.00 0.00 C ATOM 1270 CE3 TRP A 82 -3.033 1.199 10.758 1.00 0.00 C ATOM 1271 CZ2 TRP A 82 -0.982 1.648 12.650 1.00 0.00 C ATOM 1272 CZ3 TRP A 82 -1.741 1.491 10.364 1.00 0.00 C ATOM 1273 CH2 TRP A 82 -0.728 1.712 11.307 1.00 0.00 C ATOM 0 H TRP A 82 -6.163 2.409 13.937 1.00 0.00 H new ATOM 0 HA TRP A 82 -6.173 2.359 11.200 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.421 -0.043 13.053 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -5.764 -0.051 11.428 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -4.823 0.773 15.026 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -2.304 1.337 15.179 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -3.806 1.029 10.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.200 1.820 13.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.508 1.550 9.311 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.272 1.937 10.967 1.00 0.00 H new ATOM 1284 N ARG A 83 -8.120 0.822 10.312 1.00 0.00 N ATOM 1285 CA ARG A 83 -9.386 0.398 9.726 1.00 0.00 C ATOM 1286 C ARG A 83 -9.199 -0.856 8.877 1.00 0.00 C ATOM 1287 O ARG A 83 -8.174 -1.024 8.217 1.00 0.00 O ATOM 1288 CB ARG A 83 -9.979 1.521 8.873 1.00 0.00 C ATOM 1289 CG ARG A 83 -10.035 2.862 9.586 1.00 0.00 C ATOM 1290 CD ARG A 83 -11.135 3.747 9.021 1.00 0.00 C ATOM 1291 NE ARG A 83 -12.425 3.489 9.656 1.00 0.00 N ATOM 1292 CZ ARG A 83 -13.593 3.774 9.090 1.00 0.00 C ATOM 1293 NH1 ARG A 83 -13.632 4.323 7.884 1.00 0.00 N ATOM 1294 NH2 ARG A 83 -14.724 3.509 9.731 1.00 0.00 N ATOM 0 H ARG A 83 -7.301 0.623 9.737 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.074 0.166 10.539 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.387 1.627 7.964 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.986 1.240 8.566 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.206 2.703 10.651 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.074 3.367 9.489 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.865 4.794 9.160 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.219 3.580 7.947 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.429 3.067 10.585 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.764 4.528 7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.530 4.541 7.452 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.697 3.086 10.659 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.620 3.728 9.296 1.00 0.00 H new ATOM 1308 N SER A 84 -10.197 -1.734 8.899 1.00 0.00 N ATOM 1309 CA SER A 84 -10.142 -2.974 8.135 1.00 0.00 C ATOM 1310 C SER A 84 -10.418 -2.715 6.657 1.00 0.00 C ATOM 1311 O SER A 84 -11.210 -1.840 6.305 1.00 0.00 O ATOM 1312 CB SER A 84 -11.152 -3.983 8.685 1.00 0.00 C ATOM 1313 OG SER A 84 -11.276 -5.101 7.824 1.00 0.00 O ATOM 0 H SER A 84 -11.054 -1.609 9.438 1.00 0.00 H new ATOM 0 HA SER A 84 -9.138 -3.387 8.232 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.837 -4.315 9.674 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.123 -3.502 8.804 1.00 0.00 H new ATOM 0 HG SER A 84 -11.926 -5.732 8.198 1.00 0.00 H new ATOM 1319 N LEU A 85 -9.758 -3.481 5.795 1.00 0.00 N ATOM 1320 CA LEU A 85 -9.931 -3.336 4.354 1.00 0.00 C ATOM 1321 C LEU A 85 -10.795 -4.461 3.793 1.00 0.00 C ATOM 1322 O LEU A 85 -10.785 -5.579 4.307 1.00 0.00 O ATOM 1323 CB LEU A 85 -8.570 -3.326 3.655 1.00 0.00 C ATOM 1324 CG LEU A 85 -7.718 -2.074 3.864 1.00 0.00 C ATOM 1325 CD1 LEU A 85 -6.238 -2.423 3.829 1.00 0.00 C ATOM 1326 CD2 LEU A 85 -8.045 -1.025 2.811 1.00 0.00 C ATOM 0 H LEU A 85 -9.098 -4.209 6.069 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.435 -2.388 4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.001 -4.190 3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.732 -3.456 2.585 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.949 -1.660 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.647 -1.519 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.014 -3.139 4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.990 -2.861 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.429 -0.141 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.842 -1.429 1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.098 -0.753 2.883 1.00 0.00 H new ATOM 1338 N GLU A 86 -11.540 -4.157 2.734 1.00 0.00 N ATOM 1339 CA GLU A 86 -12.408 -5.143 2.103 1.00 0.00 C ATOM 1340 C GLU A 86 -11.635 -5.978 1.087 1.00 0.00 C ATOM 1341 O GLU A 86 -10.581 -5.566 0.601 1.00 0.00 O ATOM 1342 CB GLU A 86 -13.589 -4.452 1.419 1.00 0.00 C ATOM 1343 CG GLU A 86 -13.181 -3.547 0.268 1.00 0.00 C ATOM 1344 CD GLU A 86 -14.282 -2.585 -0.135 1.00 0.00 C ATOM 1345 OE1 GLU A 86 -14.920 -2.002 0.767 1.00 0.00 O ATOM 1346 OE2 GLU A 86 -14.505 -2.415 -1.352 1.00 0.00 O ATOM 0 H GLU A 86 -11.559 -3.236 2.296 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.786 -5.807 2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.277 -5.211 1.047 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.132 -3.863 2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.294 -2.980 0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.906 -4.159 -0.591 1.00 0.00 H new ATOM 1353 N LYS A 87 -12.164 -7.155 0.771 1.00 0.00 N ATOM 1354 CA LYS A 87 -11.526 -8.050 -0.187 1.00 0.00 C ATOM 1355 C LYS A 87 -11.362 -7.368 -1.542 1.00 0.00 C ATOM 1356 O LYS A 87 -12.092 -6.432 -1.869 1.00 0.00 O ATOM 1357 CB LYS A 87 -12.347 -9.331 -0.345 1.00 0.00 C ATOM 1358 CG LYS A 87 -11.973 -10.420 0.646 1.00 0.00 C ATOM 1359 CD LYS A 87 -12.677 -10.226 1.979 1.00 0.00 C ATOM 1360 CE LYS A 87 -14.113 -10.724 1.928 1.00 0.00 C ATOM 1361 NZ LYS A 87 -14.989 -9.987 2.880 1.00 0.00 N ATOM 0 H LYS A 87 -13.034 -7.512 1.165 1.00 0.00 H new ATOM 0 HA LYS A 87 -10.537 -8.305 0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.404 -9.092 -0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.217 -9.713 -1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.235 -11.394 0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.894 -10.419 0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.134 -10.758 2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.666 -9.170 2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.501 -10.611 0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.137 -11.788 2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.959 -10.356 2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.634 -10.115 3.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.987 -8.975 2.642 1.00 0.00 H new ATOM 1375 N ARG A 88 -10.401 -7.845 -2.326 1.00 0.00 N ATOM 1376 CA ARG A 88 -10.142 -7.281 -3.646 1.00 0.00 C ATOM 1377 C ARG A 88 -11.310 -7.550 -4.590 1.00 0.00 C ATOM 1378 O ARG A 88 -12.026 -8.540 -4.443 1.00 0.00 O ATOM 1379 CB ARG A 88 -8.855 -7.866 -4.230 1.00 0.00 C ATOM 1380 CG ARG A 88 -8.923 -9.364 -4.475 1.00 0.00 C ATOM 1381 CD ARG A 88 -9.459 -9.679 -5.863 1.00 0.00 C ATOM 1382 NE ARG A 88 -8.582 -9.172 -6.916 1.00 0.00 N ATOM 1383 CZ ARG A 88 -7.492 -9.807 -7.332 1.00 0.00 C ATOM 1384 NH1 ARG A 88 -7.147 -10.966 -6.789 1.00 0.00 N ATOM 1385 NH2 ARG A 88 -6.745 -9.282 -8.295 1.00 0.00 N ATOM 0 H ARG A 88 -9.789 -8.620 -2.071 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.026 -6.203 -3.537 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -8.631 -7.362 -5.170 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.029 -7.655 -3.551 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -7.930 -9.798 -4.361 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -9.562 -9.828 -3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -9.571 -10.758 -5.972 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.451 -9.243 -5.976 1.00 0.00 H new ATOM 0 HE ARG A 88 -8.820 -8.283 -7.355 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.719 -11.373 -6.049 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.309 -11.451 -7.111 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.008 -8.391 -8.716 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.908 -9.770 -8.614 1.00 0.00 H new ATOM 1399 N ALA A 89 -11.498 -6.660 -5.560 1.00 0.00 N ATOM 1400 CA ALA A 89 -12.577 -6.802 -6.529 1.00 0.00 C ATOM 1401 C ALA A 89 -12.424 -8.086 -7.337 1.00 0.00 C ATOM 1402 O ALA A 89 -11.658 -8.137 -8.299 1.00 0.00 O ATOM 1403 CB ALA A 89 -12.617 -5.595 -7.454 1.00 0.00 C ATOM 0 H ALA A 89 -10.916 -5.833 -5.695 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.518 -6.858 -5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.428 -5.714 -8.173 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -12.783 -4.692 -6.867 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.669 -5.513 -7.986 1.00 0.00 H new ATOM 1409 N ASP A 90 -13.158 -9.120 -6.940 1.00 0.00 N ATOM 1410 CA ASP A 90 -13.104 -10.404 -7.629 1.00 0.00 C ATOM 1411 C ASP A 90 -13.358 -10.231 -9.123 1.00 0.00 C ATOM 1412 O ASP A 90 -14.170 -9.402 -9.532 1.00 0.00 O ATOM 1413 CB ASP A 90 -14.130 -11.370 -7.033 1.00 0.00 C ATOM 1414 CG ASP A 90 -14.198 -11.282 -5.521 1.00 0.00 C ATOM 1415 OD1 ASP A 90 -14.969 -10.443 -5.010 1.00 0.00 O ATOM 1416 OD2 ASP A 90 -13.479 -12.051 -4.849 1.00 0.00 O ATOM 0 H ASP A 90 -13.797 -9.094 -6.145 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.105 -10.818 -7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -15.113 -11.154 -7.451 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -13.876 -12.389 -7.324 1.00 0.00 H new ATOM 1421 N GLU A 91 -12.656 -11.019 -9.932 1.00 0.00 N ATOM 1422 CA GLU A 91 -12.805 -10.950 -11.381 1.00 0.00 C ATOM 1423 C GLU A 91 -14.249 -11.223 -11.793 1.00 0.00 C ATOM 1424 O GLU A 91 -14.859 -10.437 -12.518 1.00 0.00 O ATOM 1425 CB GLU A 91 -11.871 -11.954 -12.060 1.00 0.00 C ATOM 1426 CG GLU A 91 -11.573 -11.622 -13.513 1.00 0.00 C ATOM 1427 CD GLU A 91 -10.573 -12.577 -14.136 1.00 0.00 C ATOM 1428 OE1 GLU A 91 -11.003 -13.628 -14.656 1.00 0.00 O ATOM 1429 OE2 GLU A 91 -9.363 -12.273 -14.104 1.00 0.00 O ATOM 0 H GLU A 91 -11.980 -11.711 -9.609 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.538 -9.943 -11.701 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.933 -11.997 -11.506 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.318 -12.947 -12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.500 -11.648 -14.085 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.187 -10.605 -13.578 1.00 0.00 H new ATOM 1436 N VAL A 92 -14.789 -12.345 -11.327 1.00 0.00 N ATOM 1437 CA VAL A 92 -16.161 -12.723 -11.645 1.00 0.00 C ATOM 1438 C VAL A 92 -17.160 -11.859 -10.884 1.00 0.00 C ATOM 1439 O VAL A 92 -16.975 -11.574 -9.701 1.00 0.00 O ATOM 1440 CB VAL A 92 -16.426 -14.204 -11.318 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -16.098 -14.496 -9.861 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -17.868 -14.569 -11.631 1.00 0.00 C ATOM 0 H VAL A 92 -14.297 -13.008 -10.728 1.00 0.00 H new ATOM 0 HA VAL A 92 -16.292 -12.566 -12.716 1.00 0.00 H new ATOM 0 HB VAL A 92 -15.776 -14.818 -11.942 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.291 -15.547 -9.648 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.047 -14.275 -9.673 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -16.720 -13.875 -9.216 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -18.037 -15.619 -11.394 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -18.538 -13.950 -11.034 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -18.065 -14.400 -12.690 1.00 0.00 H new ATOM 1452 N SER A 93 -18.220 -11.445 -11.571 1.00 0.00 N ATOM 1453 CA SER A 93 -19.248 -10.610 -10.960 1.00 0.00 C ATOM 1454 C SER A 93 -20.565 -11.372 -10.838 1.00 0.00 C ATOM 1455 O SER A 93 -21.633 -10.838 -11.132 1.00 0.00 O ATOM 1456 CB SER A 93 -19.457 -9.338 -11.783 1.00 0.00 C ATOM 1457 OG SER A 93 -19.852 -9.646 -13.109 1.00 0.00 O ATOM 0 H SER A 93 -18.389 -11.674 -12.550 1.00 0.00 H new ATOM 0 HA SER A 93 -18.912 -10.336 -9.960 1.00 0.00 H new ATOM 0 HB2 SER A 93 -20.216 -8.716 -11.310 1.00 0.00 H new ATOM 0 HB3 SER A 93 -18.535 -8.757 -11.801 1.00 0.00 H new ATOM 0 HG SER A 93 -19.981 -8.816 -13.613 1.00 0.00 H new ATOM 1463 N GLY A 94 -20.478 -12.625 -10.402 1.00 0.00 N ATOM 1464 CA GLY A 94 -21.668 -13.441 -10.249 1.00 0.00 C ATOM 1465 C GLY A 94 -22.549 -13.420 -11.483 1.00 0.00 C ATOM 1466 O GLY A 94 -23.509 -12.655 -11.574 1.00 0.00 O ATOM 0 H GLY A 94 -19.605 -13.089 -10.152 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -21.375 -14.468 -10.033 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -22.240 -13.086 -9.392 1.00 0.00 H new ATOM 1470 N PRO A 95 -22.222 -14.277 -12.462 1.00 0.00 N ATOM 1471 CA PRO A 95 -22.977 -14.372 -13.715 1.00 0.00 C ATOM 1472 C PRO A 95 -24.361 -14.979 -13.513 1.00 0.00 C ATOM 1473 O PRO A 95 -24.670 -15.502 -12.442 1.00 0.00 O ATOM 1474 CB PRO A 95 -22.112 -15.291 -14.581 1.00 0.00 C ATOM 1475 CG PRO A 95 -21.335 -16.109 -13.608 1.00 0.00 C ATOM 1476 CD PRO A 95 -21.090 -15.219 -12.421 1.00 0.00 C ATOM 0 HA PRO A 95 -23.158 -13.392 -14.157 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -22.726 -15.920 -15.226 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -21.452 -14.716 -15.231 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -21.889 -17.002 -13.318 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -20.394 -16.445 -14.044 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -21.073 -15.786 -11.490 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -20.134 -14.702 -12.497 1.00 0.00 H new ATOM 1484 N SER A 96 -25.191 -14.906 -14.548 1.00 0.00 N ATOM 1485 CA SER A 96 -26.544 -15.445 -14.483 1.00 0.00 C ATOM 1486 C SER A 96 -26.603 -16.842 -15.094 1.00 0.00 C ATOM 1487 O SER A 96 -26.025 -17.093 -16.152 1.00 0.00 O ATOM 1488 CB SER A 96 -27.521 -14.518 -15.207 1.00 0.00 C ATOM 1489 OG SER A 96 -28.844 -14.697 -14.731 1.00 0.00 O ATOM 0 H SER A 96 -24.950 -14.479 -15.442 1.00 0.00 H new ATOM 0 HA SER A 96 -26.830 -15.514 -13.434 1.00 0.00 H new ATOM 0 HB2 SER A 96 -27.217 -13.481 -15.064 1.00 0.00 H new ATOM 0 HB3 SER A 96 -27.487 -14.715 -16.279 1.00 0.00 H new ATOM 0 HG SER A 96 -29.448 -14.091 -15.209 1.00 0.00 H new ATOM 1495 N SER A 97 -27.305 -17.747 -14.420 1.00 0.00 N ATOM 1496 CA SER A 97 -27.436 -19.120 -14.894 1.00 0.00 C ATOM 1497 C SER A 97 -28.301 -19.181 -16.149 1.00 0.00 C ATOM 1498 O SER A 97 -27.952 -19.844 -17.125 1.00 0.00 O ATOM 1499 CB SER A 97 -28.041 -20.003 -13.801 1.00 0.00 C ATOM 1500 OG SER A 97 -28.055 -21.365 -14.194 1.00 0.00 O ATOM 0 H SER A 97 -27.792 -17.555 -13.544 1.00 0.00 H new ATOM 0 HA SER A 97 -26.441 -19.490 -15.141 1.00 0.00 H new ATOM 0 HB2 SER A 97 -27.467 -19.893 -12.881 1.00 0.00 H new ATOM 0 HB3 SER A 97 -29.057 -19.674 -13.584 1.00 0.00 H new ATOM 0 HG SER A 97 -28.445 -21.908 -13.478 1.00 0.00 H new ATOM 1506 N GLY A 98 -29.433 -18.484 -16.115 1.00 0.00 N ATOM 1507 CA GLY A 98 -30.331 -18.471 -17.255 1.00 0.00 C ATOM 1508 C GLY A 98 -31.731 -18.928 -16.895 1.00 0.00 C ATOM 1509 O GLY A 98 -32.428 -18.212 -16.179 1.00 0.00 O ATOM 0 H GLY A 98 -29.744 -17.928 -15.318 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -30.376 -17.463 -17.667 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -29.931 -19.117 -18.036 1.00 0.00 H new TER 1513 GLY A 98 HETATM 1514 ZN ZN A 201 5.339 1.132 -1.245 1.00 0.00 ZN HETATM 1515 ZN ZN A 401 2.032 -10.506 5.491 1.00 0.00 ZN