USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 625 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 39 HIS HD1 : A 39 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 8 SER OG : rot 20:sc= 0.719 USER MOD Set 1.2: A 29 HIS : no HD1:sc= -0.678 K(o=0.04,f=-5.7!) USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0471 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= 0.0985 F(o=-2!,f=0.098) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 27:sc= 0.00743 USER MOD Single : A 19 THR OG1 : rot -150:sc= 0.143 USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.0449 F(o=-0.57,f=-0.045) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -1.77! X(o=-1.8!,f=-1.7) USER MOD Single : A 35 SER OG : rot -136:sc= -0.198 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -103:sc= 1.6 (180deg=-0.22) USER MOD Single : A 46 SER OG : rot -120:sc= -0.453 USER MOD Single : A 49 SER OG : rot 110:sc= -0.485 USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= -0.0213 (180deg=-0.26) USER MOD Single : A 53 GLN : amide:sc= -4.28! C(o=-4.3!,f=-8.7!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -94:sc= 0.19 USER MOD Single : A 66 LYS NZ :NH3+ -116:sc= 0.00371 (180deg=-0.0048) USER MOD Single : A 72 SER OG : rot 36:sc= 0.54 USER MOD Single : A 73 ASN : amide:sc= 0.355 K(o=0.36,f=-2.5!) USER MOD Single : A 79 MET CE :methyl -177:sc= -3.43! (180deg=-3.52!) USER MOD Single : A 80 GLN : amide:sc= -0.793 X(o=-0.79,f=-0.8) USER MOD Single : A 85 THR OG1 : rot 71:sc= 0.0388 USER MOD Single : A 88 SER OG : rot 82:sc= 1.22 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.336 -16.529 13.181 1.00 0.00 N ATOM 2 CA GLY A 1 3.143 -15.127 13.503 1.00 0.00 C ATOM 3 C GLY A 1 4.224 -14.589 14.420 1.00 0.00 C ATOM 4 O GLY A 1 4.838 -15.342 15.176 1.00 0.00 O ATOM 0 H1 GLY A 1 3.707 -16.615 12.213 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.013 -16.949 13.850 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.427 -17.029 13.249 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.129 -14.544 12.582 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.170 -14.997 13.977 1.00 0.00 H new ATOM 8 N SER A 2 4.459 -13.283 14.351 1.00 0.00 N ATOM 9 CA SER A 2 5.477 -12.645 15.177 1.00 0.00 C ATOM 10 C SER A 2 4.896 -11.456 15.936 1.00 0.00 C ATOM 11 O SER A 2 4.955 -11.399 17.164 1.00 0.00 O ATOM 12 CB SER A 2 6.653 -12.187 14.312 1.00 0.00 C ATOM 13 OG SER A 2 7.842 -12.091 15.076 1.00 0.00 O ATOM 0 H SER A 2 3.958 -12.646 13.732 1.00 0.00 H new ATOM 0 HA SER A 2 5.832 -13.378 15.902 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.800 -12.889 13.492 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.425 -11.219 13.866 1.00 0.00 H new ATOM 0 HG SER A 2 8.578 -11.798 14.500 1.00 0.00 H new ATOM 19 N SER A 3 4.333 -10.507 15.194 1.00 0.00 N ATOM 20 CA SER A 3 3.744 -9.316 15.795 1.00 0.00 C ATOM 21 C SER A 3 2.239 -9.489 15.979 1.00 0.00 C ATOM 22 O SER A 3 1.522 -9.829 15.039 1.00 0.00 O ATOM 23 CB SER A 3 4.025 -8.088 14.926 1.00 0.00 C ATOM 24 OG SER A 3 5.418 -7.861 14.800 1.00 0.00 O ATOM 0 H SER A 3 4.272 -10.540 14.176 1.00 0.00 H new ATOM 0 HA SER A 3 4.199 -9.170 16.775 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.585 -8.229 13.939 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.549 -7.211 15.365 1.00 0.00 H new ATOM 0 HG SER A 3 5.571 -7.072 14.239 1.00 0.00 H new ATOM 30 N GLY A 4 1.768 -9.251 17.200 1.00 0.00 N ATOM 31 CA GLY A 4 0.352 -9.386 17.487 1.00 0.00 C ATOM 32 C GLY A 4 -0.472 -8.266 16.882 1.00 0.00 C ATOM 33 O GLY A 4 0.072 -7.249 16.451 1.00 0.00 O ATOM 0 H GLY A 4 2.342 -8.967 17.994 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.004 -10.342 17.104 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.203 -9.400 18.567 1.00 0.00 H new ATOM 37 N SER A 5 -1.787 -8.453 16.847 1.00 0.00 N ATOM 38 CA SER A 5 -2.687 -7.452 16.285 1.00 0.00 C ATOM 39 C SER A 5 -3.581 -6.856 17.367 1.00 0.00 C ATOM 40 O SER A 5 -3.733 -7.428 18.447 1.00 0.00 O ATOM 41 CB SER A 5 -3.547 -8.072 15.181 1.00 0.00 C ATOM 42 OG SER A 5 -4.219 -9.228 15.648 1.00 0.00 O ATOM 0 H SER A 5 -2.253 -9.288 17.201 1.00 0.00 H new ATOM 0 HA SER A 5 -2.081 -6.653 15.859 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.275 -7.341 14.829 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.919 -8.332 14.329 1.00 0.00 H new ATOM 0 HG SER A 5 -4.763 -9.605 14.925 1.00 0.00 H new ATOM 48 N SER A 6 -4.170 -5.702 17.070 1.00 0.00 N ATOM 49 CA SER A 6 -5.046 -5.024 18.019 1.00 0.00 C ATOM 50 C SER A 6 -6.512 -5.281 17.683 1.00 0.00 C ATOM 51 O SER A 6 -7.307 -5.635 18.553 1.00 0.00 O ATOM 52 CB SER A 6 -4.767 -3.520 18.019 1.00 0.00 C ATOM 53 OG SER A 6 -3.430 -3.249 18.401 1.00 0.00 O ATOM 0 H SER A 6 -4.057 -5.217 16.180 1.00 0.00 H new ATOM 0 HA SER A 6 -4.843 -5.423 19.013 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.954 -3.112 17.026 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.452 -3.020 18.703 1.00 0.00 H new ATOM 0 HG SER A 6 -3.277 -2.281 18.391 1.00 0.00 H new ATOM 59 N GLY A 7 -6.862 -5.100 16.413 1.00 0.00 N ATOM 60 CA GLY A 7 -8.232 -5.317 15.984 1.00 0.00 C ATOM 61 C GLY A 7 -8.609 -4.455 14.795 1.00 0.00 C ATOM 62 O GLY A 7 -7.743 -4.011 14.041 1.00 0.00 O ATOM 0 H GLY A 7 -6.222 -4.807 15.674 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.367 -6.367 15.725 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.907 -5.104 16.813 1.00 0.00 H new ATOM 66 N SER A 8 -9.906 -4.218 14.626 1.00 0.00 N ATOM 67 CA SER A 8 -10.398 -3.409 13.518 1.00 0.00 C ATOM 68 C SER A 8 -11.261 -2.258 14.026 1.00 0.00 C ATOM 69 O SER A 8 -12.479 -2.376 14.164 1.00 0.00 O ATOM 70 CB SER A 8 -11.201 -4.273 12.544 1.00 0.00 C ATOM 71 OG SER A 8 -10.348 -4.936 11.627 1.00 0.00 O ATOM 0 H SER A 8 -10.635 -4.575 15.243 1.00 0.00 H new ATOM 0 HA SER A 8 -9.537 -2.991 12.996 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.783 -5.008 13.100 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.910 -3.649 12.000 1.00 0.00 H new ATOM 0 HG SER A 8 -9.438 -4.964 11.989 1.00 0.00 H new ATOM 77 N PRO A 9 -10.616 -1.117 14.311 1.00 0.00 N ATOM 78 CA PRO A 9 -11.305 0.078 14.808 1.00 0.00 C ATOM 79 C PRO A 9 -12.183 0.726 13.743 1.00 0.00 C ATOM 80 O PRO A 9 -11.685 1.380 12.827 1.00 0.00 O ATOM 81 CB PRO A 9 -10.156 1.014 15.195 1.00 0.00 C ATOM 82 CG PRO A 9 -9.012 0.580 14.346 1.00 0.00 C ATOM 83 CD PRO A 9 -9.166 -0.905 14.170 1.00 0.00 C ATOM 0 HA PRO A 9 -11.981 -0.154 15.631 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.414 2.056 15.008 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.917 0.930 16.255 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.025 1.090 13.383 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.061 0.820 14.821 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.805 -1.234 13.196 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.604 -1.459 14.922 1.00 0.00 H new ATOM 91 N MET A 10 -13.493 0.541 13.871 1.00 0.00 N ATOM 92 CA MET A 10 -14.441 1.109 12.919 1.00 0.00 C ATOM 93 C MET A 10 -15.198 2.279 13.540 1.00 0.00 C ATOM 94 O MET A 10 -16.126 2.083 14.325 1.00 0.00 O ATOM 95 CB MET A 10 -15.428 0.039 12.449 1.00 0.00 C ATOM 96 CG MET A 10 -16.554 0.588 11.588 1.00 0.00 C ATOM 97 SD MET A 10 -17.795 -0.659 11.190 1.00 0.00 S ATOM 98 CE MET A 10 -17.360 -1.039 9.494 1.00 0.00 C ATOM 0 H MET A 10 -13.922 0.003 14.624 1.00 0.00 H new ATOM 0 HA MET A 10 -13.880 1.477 12.060 1.00 0.00 H new ATOM 0 HB2 MET A 10 -14.887 -0.720 11.884 1.00 0.00 H new ATOM 0 HB3 MET A 10 -15.856 -0.457 13.320 1.00 0.00 H new ATOM 0 HG2 MET A 10 -17.032 1.418 12.108 1.00 0.00 H new ATOM 0 HG3 MET A 10 -16.137 0.988 10.664 1.00 0.00 H new ATOM 0 HE1 MET A 10 -18.039 -1.798 9.105 1.00 0.00 H new ATOM 0 HE2 MET A 10 -17.438 -0.137 8.887 1.00 0.00 H new ATOM 0 HE3 MET A 10 -16.337 -1.414 9.456 1.00 0.00 H new ATOM 108 N ALA A 11 -14.797 3.494 13.182 1.00 0.00 N ATOM 109 CA ALA A 11 -15.439 4.695 13.703 1.00 0.00 C ATOM 110 C ALA A 11 -15.893 5.610 12.571 1.00 0.00 C ATOM 111 O ALA A 11 -15.280 5.644 11.505 1.00 0.00 O ATOM 112 CB ALA A 11 -14.495 5.436 14.638 1.00 0.00 C ATOM 0 H ALA A 11 -14.031 3.673 12.533 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.322 4.390 14.264 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.988 6.330 15.019 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.225 4.787 15.471 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.595 5.722 14.094 1.00 0.00 H new ATOM 118 N ASN A 12 -16.970 6.350 12.809 1.00 0.00 N ATOM 119 CA ASN A 12 -17.506 7.265 11.808 1.00 0.00 C ATOM 120 C ASN A 12 -16.580 8.462 11.614 1.00 0.00 C ATOM 121 O ASN A 12 -16.797 9.528 12.190 1.00 0.00 O ATOM 122 CB ASN A 12 -18.899 7.746 12.220 1.00 0.00 C ATOM 123 CG ASN A 12 -18.980 8.088 13.695 1.00 0.00 C ATOM 124 OD1 ASN A 12 -19.135 7.068 14.531 1.00 0.00 O flip ATOM 125 ND2 ASN A 12 -18.905 9.256 14.077 1.00 0.00 N flip ATOM 0 H ASN A 12 -17.489 6.334 13.687 1.00 0.00 H new ATOM 0 HA ASN A 12 -17.579 6.727 10.863 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -19.166 8.624 11.631 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -19.631 6.972 11.989 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -18.786 10.008 13.398 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -18.962 9.472 15.072 1.00 0.00 H new ATOM 132 N SER A 13 -15.547 8.278 10.798 1.00 0.00 N ATOM 133 CA SER A 13 -14.586 9.341 10.530 1.00 0.00 C ATOM 134 C SER A 13 -13.631 8.941 9.410 1.00 0.00 C ATOM 135 O SER A 13 -13.653 7.805 8.937 1.00 0.00 O ATOM 136 CB SER A 13 -13.793 9.672 11.796 1.00 0.00 C ATOM 137 OG SER A 13 -12.844 8.660 12.083 1.00 0.00 O ATOM 0 H SER A 13 -15.354 7.403 10.311 1.00 0.00 H new ATOM 0 HA SER A 13 -15.140 10.225 10.214 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.284 10.627 11.670 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.476 9.783 12.638 1.00 0.00 H new ATOM 0 HG SER A 13 -12.349 8.896 12.895 1.00 0.00 H new ATOM 143 N GLY A 14 -12.793 9.883 8.989 1.00 0.00 N ATOM 144 CA GLY A 14 -11.842 9.611 7.927 1.00 0.00 C ATOM 145 C GLY A 14 -10.411 9.881 8.347 1.00 0.00 C ATOM 146 O GLY A 14 -9.862 10.955 8.102 1.00 0.00 O ATOM 0 H GLY A 14 -12.756 10.831 9.365 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.936 8.570 7.617 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.085 10.225 7.060 1.00 0.00 H new ATOM 150 N PRO A 15 -9.784 8.889 8.998 1.00 0.00 N ATOM 151 CA PRO A 15 -8.400 9.002 9.468 1.00 0.00 C ATOM 152 C PRO A 15 -7.397 9.014 8.319 1.00 0.00 C ATOM 153 O PRO A 15 -6.551 9.905 8.230 1.00 0.00 O ATOM 154 CB PRO A 15 -8.214 7.748 10.326 1.00 0.00 C ATOM 155 CG PRO A 15 -9.200 6.770 9.787 1.00 0.00 C ATOM 156 CD PRO A 15 -10.378 7.582 9.324 1.00 0.00 C ATOM 0 HA PRO A 15 -8.227 9.934 10.006 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.196 7.365 10.252 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.400 7.958 11.379 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.772 6.198 8.963 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.497 6.053 10.552 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.860 7.132 8.456 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -11.137 7.668 10.101 1.00 0.00 H new ATOM 164 N LEU A 16 -7.497 8.022 7.442 1.00 0.00 N ATOM 165 CA LEU A 16 -6.598 7.919 6.297 1.00 0.00 C ATOM 166 C LEU A 16 -7.330 7.369 5.078 1.00 0.00 C ATOM 167 O LEU A 16 -8.375 6.729 5.205 1.00 0.00 O ATOM 168 CB LEU A 16 -5.406 7.023 6.638 1.00 0.00 C ATOM 169 CG LEU A 16 -4.779 7.237 8.016 1.00 0.00 C ATOM 170 CD1 LEU A 16 -5.382 6.278 9.032 1.00 0.00 C ATOM 171 CD2 LEU A 16 -3.269 7.063 7.948 1.00 0.00 C ATOM 0 H LEU A 16 -8.191 7.277 7.501 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.236 8.919 6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.725 5.983 6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.635 7.175 5.882 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.993 8.256 8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.924 6.445 10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.456 6.450 9.102 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.199 5.251 8.716 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.840 7.219 8.938 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.034 6.055 7.605 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.850 7.790 7.252 1.00 0.00 H new ATOM 183 N CYS A 17 -6.774 7.619 3.897 1.00 0.00 N ATOM 184 CA CYS A 17 -7.374 7.147 2.654 1.00 0.00 C ATOM 185 C CYS A 17 -6.310 6.587 1.716 1.00 0.00 C ATOM 186 O CYS A 17 -5.195 7.105 1.645 1.00 0.00 O ATOM 187 CB CYS A 17 -8.132 8.283 1.966 1.00 0.00 C ATOM 188 SG CYS A 17 -7.109 9.723 1.576 1.00 0.00 S ATOM 0 H CYS A 17 -5.909 8.146 3.774 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.075 6.348 2.897 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.574 7.905 1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.954 8.598 2.608 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.873 9.349 1.425 1.00 0.00 H new ATOM 194 N CYS A 18 -6.661 5.526 0.998 1.00 0.00 N ATOM 195 CA CYS A 18 -5.736 4.893 0.065 1.00 0.00 C ATOM 196 C CYS A 18 -5.181 5.912 -0.926 1.00 0.00 C ATOM 197 O CYS A 18 -5.802 6.942 -1.188 1.00 0.00 O ATOM 198 CB CYS A 18 -6.435 3.760 -0.689 1.00 0.00 C ATOM 199 SG CYS A 18 -5.319 2.750 -1.714 1.00 0.00 S ATOM 0 H CYS A 18 -7.580 5.086 1.044 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.906 4.481 0.638 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.935 3.113 0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.210 4.186 -1.326 1.00 0.00 H new ATOM 204 N THR A 19 -4.007 5.616 -1.475 1.00 0.00 N ATOM 205 CA THR A 19 -3.368 6.505 -2.437 1.00 0.00 C ATOM 206 C THR A 19 -3.864 6.233 -3.852 1.00 0.00 C ATOM 207 O THR A 19 -4.024 7.155 -4.652 1.00 0.00 O ATOM 208 CB THR A 19 -1.835 6.358 -2.405 1.00 0.00 C ATOM 209 OG1 THR A 19 -1.314 6.917 -1.194 1.00 0.00 O ATOM 210 CG2 THR A 19 -1.200 7.048 -3.602 1.00 0.00 C ATOM 0 H THR A 19 -3.480 4.767 -1.270 1.00 0.00 H new ATOM 0 HA THR A 19 -3.634 7.523 -2.152 1.00 0.00 H new ATOM 0 HB THR A 19 -1.593 5.296 -2.448 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.409 7.258 -1.354 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.117 6.931 -3.557 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.576 6.600 -4.522 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.451 8.109 -3.586 1.00 0.00 H new ATOM 218 N ILE A 20 -4.106 4.962 -4.155 1.00 0.00 N ATOM 219 CA ILE A 20 -4.586 4.569 -5.474 1.00 0.00 C ATOM 220 C ILE A 20 -6.092 4.773 -5.594 1.00 0.00 C ATOM 221 O ILE A 20 -6.580 5.301 -6.594 1.00 0.00 O ATOM 222 CB ILE A 20 -4.253 3.096 -5.779 1.00 0.00 C ATOM 223 CG1 ILE A 20 -2.737 2.899 -5.856 1.00 0.00 C ATOM 224 CG2 ILE A 20 -4.916 2.661 -7.077 1.00 0.00 C ATOM 225 CD1 ILE A 20 -2.310 1.452 -5.743 1.00 0.00 C ATOM 0 H ILE A 20 -3.977 4.187 -3.505 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.076 5.205 -6.197 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.641 2.476 -4.971 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.373 3.304 -6.800 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.263 3.473 -5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.671 1.618 -7.279 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.997 2.769 -6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.556 3.283 -7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.224 1.387 -5.806 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.643 1.048 -4.787 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.755 0.877 -6.555 1.00 0.00 H new ATOM 237 N CYS A 21 -6.825 4.353 -4.568 1.00 0.00 N ATOM 238 CA CYS A 21 -8.276 4.490 -4.557 1.00 0.00 C ATOM 239 C CYS A 21 -8.685 5.905 -4.158 1.00 0.00 C ATOM 240 O CYS A 21 -9.549 6.515 -4.790 1.00 0.00 O ATOM 241 CB CYS A 21 -8.897 3.477 -3.594 1.00 0.00 C ATOM 242 SG CYS A 21 -8.275 1.777 -3.799 1.00 0.00 S ATOM 0 H CYS A 21 -6.437 3.915 -3.733 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.643 4.295 -5.565 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.707 3.801 -2.571 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.978 3.476 -3.732 1.00 0.00 H new ATOM 247 N HIS A 22 -8.059 6.422 -3.106 1.00 0.00 N ATOM 248 CA HIS A 22 -8.357 7.766 -2.623 1.00 0.00 C ATOM 249 C HIS A 22 -9.804 7.865 -2.151 1.00 0.00 C ATOM 250 O HIS A 22 -10.489 8.850 -2.424 1.00 0.00 O ATOM 251 CB HIS A 22 -8.095 8.796 -3.723 1.00 0.00 C ATOM 252 CG HIS A 22 -6.680 9.284 -3.762 1.00 0.00 C ATOM 253 ND1 HIS A 22 -5.804 9.541 -2.762 1.00 0.00 N flip ATOM 254 CD2 HIS A 22 -6.014 9.568 -4.935 1.00 0.00 C flip ATOM 255 CE1 HIS A 22 -4.637 9.969 -3.344 1.00 0.00 C flip ATOM 256 NE2 HIS A 22 -4.789 9.977 -4.656 1.00 0.00 N flip ATOM 0 H HIS A 22 -7.342 5.931 -2.571 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.702 7.975 -1.777 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -8.346 8.356 -4.688 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -8.760 9.647 -3.578 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -6.429 9.471 -5.927 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -3.740 10.253 -2.815 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.082 10.252 -5.337 1.00 0.00 H new ATOM 264 N GLU A 23 -10.262 6.838 -1.441 1.00 0.00 N ATOM 265 CA GLU A 23 -11.628 6.810 -0.933 1.00 0.00 C ATOM 266 C GLU A 23 -11.648 6.481 0.557 1.00 0.00 C ATOM 267 O GLU A 23 -11.891 7.353 1.392 1.00 0.00 O ATOM 268 CB GLU A 23 -12.462 5.784 -1.704 1.00 0.00 C ATOM 269 CG GLU A 23 -12.464 6.007 -3.207 1.00 0.00 C ATOM 270 CD GLU A 23 -13.553 6.962 -3.654 1.00 0.00 C ATOM 271 OE1 GLU A 23 -13.523 8.136 -3.230 1.00 0.00 O ATOM 272 OE2 GLU A 23 -14.436 6.535 -4.427 1.00 0.00 O ATOM 0 H GLU A 23 -9.707 6.015 -1.205 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.061 7.800 -1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.079 4.785 -1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.489 5.815 -1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.494 6.399 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.595 5.050 -3.712 1.00 0.00 H new ATOM 279 N ARG A 24 -11.391 5.219 0.882 1.00 0.00 N ATOM 280 CA ARG A 24 -11.381 4.774 2.270 1.00 0.00 C ATOM 281 C ARG A 24 -10.440 3.587 2.454 1.00 0.00 C ATOM 282 O ARG A 24 -9.976 2.992 1.480 1.00 0.00 O ATOM 283 CB ARG A 24 -12.794 4.392 2.716 1.00 0.00 C ATOM 284 CG ARG A 24 -13.616 5.572 3.210 1.00 0.00 C ATOM 285 CD ARG A 24 -12.997 6.203 4.448 1.00 0.00 C ATOM 286 NE ARG A 24 -13.991 6.891 5.266 1.00 0.00 N ATOM 287 CZ ARG A 24 -14.555 8.044 4.922 1.00 0.00 C ATOM 288 NH1 ARG A 24 -14.226 8.632 3.781 1.00 0.00 N ATOM 289 NH2 ARG A 24 -15.452 8.609 5.720 1.00 0.00 N ATOM 0 H ARG A 24 -11.187 4.486 0.203 1.00 0.00 H new ATOM 0 HA ARG A 24 -11.023 5.598 2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -13.314 3.921 1.882 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.727 3.649 3.510 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.694 6.319 2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -14.630 5.241 3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.509 5.431 5.043 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.224 6.909 4.147 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.268 6.463 6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.538 8.200 3.164 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.661 9.517 3.519 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.709 8.158 6.598 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.884 9.494 5.455 1.00 0.00 H new ATOM 303 N LEU A 25 -10.162 3.247 3.708 1.00 0.00 N ATOM 304 CA LEU A 25 -9.276 2.131 4.020 1.00 0.00 C ATOM 305 C LEU A 25 -9.849 1.281 5.149 1.00 0.00 C ATOM 306 O LEU A 25 -9.948 1.732 6.289 1.00 0.00 O ATOM 307 CB LEU A 25 -7.890 2.648 4.408 1.00 0.00 C ATOM 308 CG LEU A 25 -6.942 2.963 3.251 1.00 0.00 C ATOM 309 CD1 LEU A 25 -5.727 3.730 3.749 1.00 0.00 C ATOM 310 CD2 LEU A 25 -6.515 1.683 2.547 1.00 0.00 C ATOM 0 H LEU A 25 -10.537 3.728 4.525 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.188 1.508 3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.015 3.552 5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.414 1.906 5.049 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.472 3.589 2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.064 3.945 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.050 4.666 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.195 3.130 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.840 1.927 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.004 1.031 3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.395 1.173 2.154 1.00 0.00 H new ATOM 322 N GLU A 26 -10.223 0.047 4.822 1.00 0.00 N ATOM 323 CA GLU A 26 -10.784 -0.867 5.810 1.00 0.00 C ATOM 324 C GLU A 26 -10.145 -0.648 7.179 1.00 0.00 C ATOM 325 O GLU A 26 -10.813 -0.240 8.129 1.00 0.00 O ATOM 326 CB GLU A 26 -10.584 -2.318 5.367 1.00 0.00 C ATOM 327 CG GLU A 26 -11.217 -2.637 4.024 1.00 0.00 C ATOM 328 CD GLU A 26 -11.106 -4.105 3.660 1.00 0.00 C ATOM 329 OE1 GLU A 26 -9.969 -4.587 3.479 1.00 0.00 O ATOM 330 OE2 GLU A 26 -12.157 -4.771 3.558 1.00 0.00 O ATOM 0 H GLU A 26 -10.148 -0.342 3.882 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.852 -0.664 5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.516 -2.529 5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.004 -2.981 6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.268 -2.350 4.045 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.739 -2.037 3.250 1.00 0.00 H new ATOM 337 N ASP A 27 -8.849 -0.923 7.270 1.00 0.00 N ATOM 338 CA ASP A 27 -8.118 -0.757 8.521 1.00 0.00 C ATOM 339 C ASP A 27 -6.619 -0.934 8.303 1.00 0.00 C ATOM 340 O ASP A 27 -6.175 -1.265 7.203 1.00 0.00 O ATOM 341 CB ASP A 27 -8.616 -1.759 9.564 1.00 0.00 C ATOM 342 CG ASP A 27 -9.800 -1.235 10.352 1.00 0.00 C ATOM 343 OD1 ASP A 27 -9.660 -0.177 11.000 1.00 0.00 O ATOM 344 OD2 ASP A 27 -10.868 -1.883 10.321 1.00 0.00 O ATOM 0 H ASP A 27 -8.283 -1.262 6.492 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.296 0.255 8.886 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.897 -2.687 9.067 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.804 -1.998 10.250 1.00 0.00 H new ATOM 349 N THR A 28 -5.842 -0.709 9.358 1.00 0.00 N ATOM 350 CA THR A 28 -4.392 -0.841 9.281 1.00 0.00 C ATOM 351 C THR A 28 -3.991 -1.945 8.310 1.00 0.00 C ATOM 352 O THR A 28 -2.968 -1.848 7.632 1.00 0.00 O ATOM 353 CB THR A 28 -3.782 -1.142 10.663 1.00 0.00 C ATOM 354 OG1 THR A 28 -4.446 -2.262 11.258 1.00 0.00 O ATOM 355 CG2 THR A 28 -3.895 0.067 11.579 1.00 0.00 C ATOM 0 H THR A 28 -6.192 -0.435 10.276 1.00 0.00 H new ATOM 0 HA THR A 28 -4.006 0.113 8.921 1.00 0.00 H new ATOM 0 HB THR A 28 -2.726 -1.377 10.527 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.051 -2.448 12.135 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.458 -0.169 12.549 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.363 0.909 11.137 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.945 0.328 11.709 1.00 0.00 H new ATOM 363 N HIS A 29 -4.804 -2.995 8.246 1.00 0.00 N ATOM 364 CA HIS A 29 -4.534 -4.118 7.355 1.00 0.00 C ATOM 365 C HIS A 29 -3.873 -3.641 6.065 1.00 0.00 C ATOM 366 O HIS A 29 -2.894 -4.228 5.604 1.00 0.00 O ATOM 367 CB HIS A 29 -5.829 -4.863 7.033 1.00 0.00 C ATOM 368 CG HIS A 29 -6.691 -5.113 8.232 1.00 0.00 C ATOM 369 ND1 HIS A 29 -6.195 -5.584 9.429 1.00 0.00 N ATOM 370 CD2 HIS A 29 -8.022 -4.954 8.414 1.00 0.00 C ATOM 371 CE1 HIS A 29 -7.185 -5.705 10.296 1.00 0.00 C ATOM 372 NE2 HIS A 29 -8.305 -5.328 9.705 1.00 0.00 N ATOM 0 H HIS A 29 -5.655 -3.092 8.800 1.00 0.00 H new ATOM 0 HA HIS A 29 -3.850 -4.797 7.863 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.397 -4.288 6.301 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.583 -5.817 6.567 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.731 -4.599 7.680 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -7.094 -6.053 11.314 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.229 -5.317 10.137 1.00 0.00 H new ATOM 380 N PHE A 30 -4.415 -2.574 5.487 1.00 0.00 N ATOM 381 CA PHE A 30 -3.879 -2.020 4.249 1.00 0.00 C ATOM 382 C PHE A 30 -2.356 -1.946 4.301 1.00 0.00 C ATOM 383 O PHE A 30 -1.762 -1.883 5.378 1.00 0.00 O ATOM 384 CB PHE A 30 -4.460 -0.627 3.996 1.00 0.00 C ATOM 385 CG PHE A 30 -3.766 0.461 4.764 1.00 0.00 C ATOM 386 CD1 PHE A 30 -2.586 1.015 4.295 1.00 0.00 C ATOM 387 CD2 PHE A 30 -4.294 0.929 5.957 1.00 0.00 C ATOM 388 CE1 PHE A 30 -1.945 2.016 4.999 1.00 0.00 C ATOM 389 CE2 PHE A 30 -3.658 1.931 6.665 1.00 0.00 C ATOM 390 CZ PHE A 30 -2.482 2.474 6.187 1.00 0.00 C ATOM 0 H PHE A 30 -5.225 -2.076 5.856 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.165 -2.680 3.430 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.399 -0.405 2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.517 -0.630 4.261 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.162 0.660 3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.212 0.506 6.337 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.026 2.440 4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.081 2.289 7.592 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.983 3.255 6.741 1.00 0.00 H new ATOM 400 N VAL A 31 -1.728 -1.955 3.130 1.00 0.00 N ATOM 401 CA VAL A 31 -0.274 -1.889 3.040 1.00 0.00 C ATOM 402 C VAL A 31 0.213 -0.445 3.080 1.00 0.00 C ATOM 403 O VAL A 31 -0.063 0.338 2.171 1.00 0.00 O ATOM 404 CB VAL A 31 0.240 -2.558 1.751 1.00 0.00 C ATOM 405 CG1 VAL A 31 1.759 -2.522 1.701 1.00 0.00 C ATOM 406 CG2 VAL A 31 -0.272 -3.987 1.653 1.00 0.00 C ATOM 0 H VAL A 31 -2.204 -2.007 2.229 1.00 0.00 H new ATOM 0 HA VAL A 31 0.122 -2.427 3.901 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.141 -2.001 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.104 -2.999 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.099 -1.487 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.164 -3.055 2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.100 -4.445 0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.078 -4.559 2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.362 -3.983 1.639 1.00 0.00 H new ATOM 416 N GLN A 32 0.940 -0.101 4.138 1.00 0.00 N ATOM 417 CA GLN A 32 1.466 1.250 4.296 1.00 0.00 C ATOM 418 C GLN A 32 2.983 1.264 4.147 1.00 0.00 C ATOM 419 O GLN A 32 3.693 0.541 4.847 1.00 0.00 O ATOM 420 CB GLN A 32 1.070 1.818 5.660 1.00 0.00 C ATOM 421 CG GLN A 32 0.974 3.335 5.683 1.00 0.00 C ATOM 422 CD GLN A 32 2.324 4.003 5.854 1.00 0.00 C ATOM 423 OE1 GLN A 32 3.072 3.689 6.780 1.00 0.00 O ATOM 424 NE2 GLN A 32 2.645 4.930 4.958 1.00 0.00 N ATOM 0 H GLN A 32 1.178 -0.738 4.898 1.00 0.00 H new ATOM 0 HA GLN A 32 1.037 1.874 3.512 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.109 1.397 5.954 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.800 1.497 6.404 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.517 3.680 4.756 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.316 3.641 6.496 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.995 5.159 4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.542 5.412 5.022 1.00 0.00 H new ATOM 433 N CYS A 33 3.476 2.090 3.231 1.00 0.00 N ATOM 434 CA CYS A 33 4.909 2.198 2.988 1.00 0.00 C ATOM 435 C CYS A 33 5.656 2.525 4.279 1.00 0.00 C ATOM 436 O CYS A 33 5.325 3.470 4.995 1.00 0.00 O ATOM 437 CB CYS A 33 5.190 3.274 1.937 1.00 0.00 C ATOM 438 SG CYS A 33 6.657 2.943 0.909 1.00 0.00 S ATOM 0 H CYS A 33 2.903 2.696 2.644 1.00 0.00 H new ATOM 0 HA CYS A 33 5.263 1.236 2.617 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.319 3.370 1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.320 4.232 2.439 1.00 0.00 H new ATOM 443 N PRO A 34 6.688 1.725 4.584 1.00 0.00 N ATOM 444 CA PRO A 34 7.504 1.909 5.787 1.00 0.00 C ATOM 445 C PRO A 34 8.370 3.162 5.715 1.00 0.00 C ATOM 446 O PRO A 34 8.913 3.612 6.724 1.00 0.00 O ATOM 447 CB PRO A 34 8.381 0.655 5.817 1.00 0.00 C ATOM 448 CG PRO A 34 8.459 0.214 4.397 1.00 0.00 C ATOM 449 CD PRO A 34 7.139 0.579 3.776 1.00 0.00 C ATOM 0 HA PRO A 34 6.890 2.038 6.679 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.370 0.873 6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.944 -0.119 6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.283 0.707 3.880 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.638 -0.859 4.331 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.249 0.847 2.725 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.431 -0.248 3.821 1.00 0.00 H new ATOM 457 N SER A 35 8.493 3.722 4.516 1.00 0.00 N ATOM 458 CA SER A 35 9.296 4.922 4.312 1.00 0.00 C ATOM 459 C SER A 35 8.409 6.120 3.985 1.00 0.00 C ATOM 460 O SER A 35 8.666 7.237 4.433 1.00 0.00 O ATOM 461 CB SER A 35 10.307 4.699 3.185 1.00 0.00 C ATOM 462 OG SER A 35 9.708 4.037 2.085 1.00 0.00 O ATOM 0 H SER A 35 8.047 3.364 3.671 1.00 0.00 H new ATOM 0 HA SER A 35 9.834 5.131 5.237 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.711 5.658 2.860 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.145 4.109 3.556 1.00 0.00 H new ATOM 0 HG SER A 35 10.306 3.330 1.764 1.00 0.00 H new ATOM 468 N VAL A 36 7.364 5.878 3.200 1.00 0.00 N ATOM 469 CA VAL A 36 6.438 6.935 2.813 1.00 0.00 C ATOM 470 C VAL A 36 5.137 6.842 3.603 1.00 0.00 C ATOM 471 O VAL A 36 4.421 5.842 3.552 1.00 0.00 O ATOM 472 CB VAL A 36 6.116 6.876 1.308 1.00 0.00 C ATOM 473 CG1 VAL A 36 5.203 8.026 0.912 1.00 0.00 C ATOM 474 CG2 VAL A 36 7.398 6.897 0.489 1.00 0.00 C ATOM 0 H VAL A 36 7.138 4.959 2.820 1.00 0.00 H new ATOM 0 HA VAL A 36 6.929 7.883 3.035 1.00 0.00 H new ATOM 0 HB VAL A 36 5.594 5.942 1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.986 7.968 -0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.272 7.962 1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.695 8.973 1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.153 6.855 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.948 7.814 0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.013 6.037 0.754 1.00 0.00 H new ATOM 484 N PRO A 37 4.822 7.909 4.352 1.00 0.00 N ATOM 485 CA PRO A 37 3.605 7.973 5.167 1.00 0.00 C ATOM 486 C PRO A 37 2.343 8.074 4.317 1.00 0.00 C ATOM 487 O PRO A 37 1.345 7.407 4.588 1.00 0.00 O ATOM 488 CB PRO A 37 3.798 9.248 5.992 1.00 0.00 C ATOM 489 CG PRO A 37 4.717 10.091 5.178 1.00 0.00 C ATOM 490 CD PRO A 37 5.629 9.136 4.461 1.00 0.00 C ATOM 0 HA PRO A 37 3.470 7.075 5.770 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.848 9.753 6.167 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.226 9.026 6.969 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.160 10.704 4.470 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.285 10.772 5.811 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.917 9.515 3.481 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.549 8.963 5.019 1.00 0.00 H new ATOM 498 N SER A 38 2.394 8.913 3.287 1.00 0.00 N ATOM 499 CA SER A 38 1.254 9.104 2.399 1.00 0.00 C ATOM 500 C SER A 38 0.882 7.798 1.703 1.00 0.00 C ATOM 501 O SER A 38 -0.290 7.429 1.635 1.00 0.00 O ATOM 502 CB SER A 38 1.566 10.180 1.357 1.00 0.00 C ATOM 503 OG SER A 38 0.395 10.569 0.659 1.00 0.00 O ATOM 0 H SER A 38 3.213 9.471 3.047 1.00 0.00 H new ATOM 0 HA SER A 38 0.406 9.428 3.002 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.006 11.048 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.306 9.803 0.651 1.00 0.00 H new ATOM 0 HG SER A 38 0.621 11.258 0.000 1.00 0.00 H new ATOM 509 N HIS A 39 1.891 7.103 1.187 1.00 0.00 N ATOM 510 CA HIS A 39 1.672 5.837 0.496 1.00 0.00 C ATOM 511 C HIS A 39 0.767 4.921 1.314 1.00 0.00 C ATOM 512 O HIS A 39 1.167 4.411 2.361 1.00 0.00 O ATOM 513 CB HIS A 39 3.007 5.144 0.222 1.00 0.00 C ATOM 514 CG HIS A 39 3.660 5.584 -1.052 1.00 0.00 C ATOM 515 ND1 HIS A 39 4.957 5.255 -1.386 1.00 0.00 N ATOM 516 CD2 HIS A 39 3.187 6.330 -2.078 1.00 0.00 C ATOM 517 CE1 HIS A 39 5.254 5.781 -2.560 1.00 0.00 C ATOM 518 NE2 HIS A 39 4.197 6.438 -3.002 1.00 0.00 N ATOM 0 H HIS A 39 2.867 7.395 1.234 1.00 0.00 H new ATOM 0 HA HIS A 39 1.180 6.049 -0.453 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.685 5.337 1.054 1.00 0.00 H new ATOM 0 HB3 HIS A 39 2.847 4.066 0.185 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.199 6.760 -2.155 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.201 5.690 -3.072 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.140 6.944 -3.886 1.00 0.00 H new ATOM 526 N LYS A 40 -0.453 4.716 0.831 1.00 0.00 N ATOM 527 CA LYS A 40 -1.415 3.861 1.516 1.00 0.00 C ATOM 528 C LYS A 40 -2.113 2.928 0.531 1.00 0.00 C ATOM 529 O LYS A 40 -3.218 3.212 0.069 1.00 0.00 O ATOM 530 CB LYS A 40 -2.452 4.712 2.251 1.00 0.00 C ATOM 531 CG LYS A 40 -2.005 5.159 3.632 1.00 0.00 C ATOM 532 CD LYS A 40 -2.901 6.256 4.181 1.00 0.00 C ATOM 533 CE LYS A 40 -2.362 7.637 3.844 1.00 0.00 C ATOM 534 NZ LYS A 40 -2.942 8.166 2.578 1.00 0.00 N ATOM 0 H LYS A 40 -0.800 5.131 -0.034 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.872 3.254 2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.679 5.592 1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.377 4.142 2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.014 4.307 4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.977 5.518 3.584 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.905 6.146 3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.985 6.151 5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.586 8.323 4.661 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.277 7.591 3.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.245 8.075 1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.796 7.625 2.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.190 9.168 2.702 1.00 0.00 H new ATOM 548 N PHE A 41 -1.461 1.814 0.215 1.00 0.00 N ATOM 549 CA PHE A 41 -2.019 0.840 -0.715 1.00 0.00 C ATOM 550 C PHE A 41 -2.684 -0.310 0.036 1.00 0.00 C ATOM 551 O PHE A 41 -2.058 -0.968 0.868 1.00 0.00 O ATOM 552 CB PHE A 41 -0.925 0.296 -1.636 1.00 0.00 C ATOM 553 CG PHE A 41 0.176 1.282 -1.905 1.00 0.00 C ATOM 554 CD1 PHE A 41 0.066 2.200 -2.937 1.00 0.00 C ATOM 555 CD2 PHE A 41 1.322 1.291 -1.125 1.00 0.00 C ATOM 556 CE1 PHE A 41 1.078 3.107 -3.187 1.00 0.00 C ATOM 557 CE2 PHE A 41 2.337 2.196 -1.370 1.00 0.00 C ATOM 558 CZ PHE A 41 2.214 3.106 -2.402 1.00 0.00 C ATOM 0 H PHE A 41 -0.546 1.564 0.589 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.775 1.343 -1.318 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.497 -0.601 -1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.374 -0.003 -2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.821 2.207 -3.553 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.423 0.582 -0.316 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.981 3.816 -3.996 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.225 2.192 -0.756 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.005 3.816 -2.595 1.00 0.00 H new ATOM 568 N CYS A 42 -3.958 -0.546 -0.262 1.00 0.00 N ATOM 569 CA CYS A 42 -4.710 -1.614 0.385 1.00 0.00 C ATOM 570 C CYS A 42 -4.426 -2.958 -0.280 1.00 0.00 C ATOM 571 O CYS A 42 -3.668 -3.037 -1.247 1.00 0.00 O ATOM 572 CB CYS A 42 -6.209 -1.314 0.334 1.00 0.00 C ATOM 573 SG CYS A 42 -6.803 -0.768 -1.299 1.00 0.00 S ATOM 0 H CYS A 42 -4.491 -0.011 -0.948 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.393 -1.669 1.426 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.758 -2.209 0.628 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.440 -0.543 1.069 1.00 0.00 H new ATOM 578 N PHE A 43 -5.041 -4.013 0.245 1.00 0.00 N ATOM 579 CA PHE A 43 -4.855 -5.354 -0.296 1.00 0.00 C ATOM 580 C PHE A 43 -5.105 -5.373 -1.802 1.00 0.00 C ATOM 581 O PHE A 43 -4.264 -5.804 -2.591 1.00 0.00 O ATOM 582 CB PHE A 43 -5.793 -6.343 0.400 1.00 0.00 C ATOM 583 CG PHE A 43 -5.197 -6.972 1.627 1.00 0.00 C ATOM 584 CD1 PHE A 43 -4.437 -6.219 2.507 1.00 0.00 C ATOM 585 CD2 PHE A 43 -5.397 -8.315 1.900 1.00 0.00 C ATOM 586 CE1 PHE A 43 -3.887 -6.795 3.637 1.00 0.00 C ATOM 587 CE2 PHE A 43 -4.850 -8.897 3.028 1.00 0.00 C ATOM 588 CZ PHE A 43 -4.095 -8.136 3.898 1.00 0.00 C ATOM 0 H PHE A 43 -5.672 -3.965 1.045 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.823 -5.652 -0.113 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.712 -5.827 0.676 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.068 -7.128 -0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.272 -5.170 2.308 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.988 -8.915 1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.295 -6.198 4.315 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.013 -9.946 3.229 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.668 -8.588 4.781 1.00 0.00 H new ATOM 598 N PRO A 44 -6.289 -4.893 -2.210 1.00 0.00 N ATOM 599 CA PRO A 44 -6.678 -4.843 -3.623 1.00 0.00 C ATOM 600 C PRO A 44 -5.878 -3.810 -4.408 1.00 0.00 C ATOM 601 O PRO A 44 -6.308 -3.351 -5.467 1.00 0.00 O ATOM 602 CB PRO A 44 -8.156 -4.448 -3.570 1.00 0.00 C ATOM 603 CG PRO A 44 -8.307 -3.720 -2.279 1.00 0.00 C ATOM 604 CD PRO A 44 -7.339 -4.362 -1.325 1.00 0.00 C ATOM 0 HA PRO A 44 -6.494 -5.790 -4.130 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.427 -3.816 -4.415 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -8.802 -5.325 -3.608 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.088 -2.659 -2.402 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -9.329 -3.794 -1.907 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.938 -3.640 -0.613 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.813 -5.153 -0.744 1.00 0.00 H new ATOM 612 N CYS A 45 -4.712 -3.448 -3.884 1.00 0.00 N ATOM 613 CA CYS A 45 -3.851 -2.468 -4.536 1.00 0.00 C ATOM 614 C CYS A 45 -2.413 -2.972 -4.609 1.00 0.00 C ATOM 615 O CYS A 45 -1.707 -2.725 -5.587 1.00 0.00 O ATOM 616 CB CYS A 45 -3.899 -1.136 -3.785 1.00 0.00 C ATOM 617 SG CYS A 45 -5.147 0.030 -4.418 1.00 0.00 S ATOM 0 H CYS A 45 -4.341 -3.819 -3.009 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.217 -2.318 -5.552 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.101 -1.332 -2.732 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.917 -0.665 -3.839 1.00 0.00 H new ATOM 622 N SER A 46 -1.986 -3.680 -3.568 1.00 0.00 N ATOM 623 CA SER A 46 -0.631 -4.215 -3.512 1.00 0.00 C ATOM 624 C SER A 46 -0.490 -5.433 -4.421 1.00 0.00 C ATOM 625 O SER A 46 0.506 -5.580 -5.129 1.00 0.00 O ATOM 626 CB SER A 46 -0.268 -4.593 -2.075 1.00 0.00 C ATOM 627 OG SER A 46 0.328 -3.502 -1.395 1.00 0.00 O ATOM 0 H SER A 46 -2.559 -3.896 -2.752 1.00 0.00 H new ATOM 0 HA SER A 46 0.053 -3.441 -3.861 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.164 -4.912 -1.542 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.418 -5.440 -2.081 1.00 0.00 H new ATOM 0 HG SER A 46 1.229 -3.752 -1.103 1.00 0.00 H new ATOM 633 N ARG A 47 -1.495 -6.302 -4.395 1.00 0.00 N ATOM 634 CA ARG A 47 -1.483 -7.507 -5.215 1.00 0.00 C ATOM 635 C ARG A 47 -1.171 -7.172 -6.670 1.00 0.00 C ATOM 636 O ARG A 47 -0.156 -7.609 -7.213 1.00 0.00 O ATOM 637 CB ARG A 47 -2.832 -8.224 -5.124 1.00 0.00 C ATOM 638 CG ARG A 47 -3.264 -8.531 -3.700 1.00 0.00 C ATOM 639 CD ARG A 47 -4.758 -8.802 -3.617 1.00 0.00 C ATOM 640 NE ARG A 47 -5.146 -9.972 -4.400 1.00 0.00 N ATOM 641 CZ ARG A 47 -6.367 -10.157 -4.888 1.00 0.00 C ATOM 642 NH1 ARG A 47 -7.314 -9.254 -4.675 1.00 0.00 N ATOM 643 NH2 ARG A 47 -6.644 -11.248 -5.592 1.00 0.00 N ATOM 0 H ARG A 47 -2.327 -6.194 -3.815 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.702 -8.166 -4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.594 -7.608 -5.601 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.777 -9.156 -5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.715 -9.397 -3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.009 -7.692 -3.052 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.042 -8.952 -2.575 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.305 -7.929 -3.974 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.441 -10.686 -4.582 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.106 -8.414 -4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.251 -9.399 -5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.918 -11.945 -5.759 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.582 -11.389 -5.966 1.00 0.00 H new ATOM 657 N GLU A 48 -2.049 -6.394 -7.295 1.00 0.00 N ATOM 658 CA GLU A 48 -1.866 -6.002 -8.688 1.00 0.00 C ATOM 659 C GLU A 48 -0.396 -5.722 -8.986 1.00 0.00 C ATOM 660 O GLU A 48 0.067 -5.908 -10.111 1.00 0.00 O ATOM 661 CB GLU A 48 -2.707 -4.765 -9.007 1.00 0.00 C ATOM 662 CG GLU A 48 -4.204 -5.026 -8.995 1.00 0.00 C ATOM 663 CD GLU A 48 -5.012 -3.810 -9.405 1.00 0.00 C ATOM 664 OE1 GLU A 48 -4.862 -3.361 -10.561 1.00 0.00 O ATOM 665 OE2 GLU A 48 -5.794 -3.308 -8.571 1.00 0.00 O ATOM 0 H GLU A 48 -2.893 -6.023 -6.859 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.195 -6.829 -9.318 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.477 -3.983 -8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.421 -4.385 -9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.430 -5.852 -9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.506 -5.338 -7.995 1.00 0.00 H new ATOM 672 N SER A 49 0.333 -5.274 -7.969 1.00 0.00 N ATOM 673 CA SER A 49 1.749 -4.963 -8.122 1.00 0.00 C ATOM 674 C SER A 49 2.605 -6.206 -7.898 1.00 0.00 C ATOM 675 O SER A 49 3.613 -6.409 -8.575 1.00 0.00 O ATOM 676 CB SER A 49 2.161 -3.864 -7.141 1.00 0.00 C ATOM 677 OG SER A 49 1.792 -2.584 -7.625 1.00 0.00 O ATOM 0 H SER A 49 -0.034 -5.118 -7.030 1.00 0.00 H new ATOM 0 HA SER A 49 1.910 -4.610 -9.141 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.690 -4.040 -6.174 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.239 -3.899 -6.982 1.00 0.00 H new ATOM 0 HG SER A 49 1.061 -2.226 -7.079 1.00 0.00 H new ATOM 683 N ILE A 50 2.195 -7.035 -6.943 1.00 0.00 N ATOM 684 CA ILE A 50 2.923 -8.259 -6.630 1.00 0.00 C ATOM 685 C ILE A 50 2.923 -9.217 -7.817 1.00 0.00 C ATOM 686 O ILE A 50 3.868 -9.981 -8.012 1.00 0.00 O ATOM 687 CB ILE A 50 2.320 -8.974 -5.407 1.00 0.00 C ATOM 688 CG1 ILE A 50 2.360 -8.058 -4.182 1.00 0.00 C ATOM 689 CG2 ILE A 50 3.068 -10.270 -5.130 1.00 0.00 C ATOM 690 CD1 ILE A 50 1.618 -8.615 -2.987 1.00 0.00 C ATOM 0 H ILE A 50 1.363 -6.881 -6.373 1.00 0.00 H new ATOM 0 HA ILE A 50 3.948 -7.968 -6.402 1.00 0.00 H new ATOM 0 HB ILE A 50 1.279 -9.216 -5.622 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.399 -7.881 -3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.932 -7.091 -4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.630 -10.764 -4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.993 -10.926 -5.997 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.117 -10.049 -4.931 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.688 -7.913 -2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.570 -8.766 -3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.060 -9.568 -2.696 1.00 0.00 H new ATOM 702 N LYS A 51 1.857 -9.170 -8.608 1.00 0.00 N ATOM 703 CA LYS A 51 1.733 -10.031 -9.779 1.00 0.00 C ATOM 704 C LYS A 51 2.453 -9.424 -10.979 1.00 0.00 C ATOM 705 O LYS A 51 3.178 -10.115 -11.694 1.00 0.00 O ATOM 706 CB LYS A 51 0.258 -10.258 -10.117 1.00 0.00 C ATOM 707 CG LYS A 51 -0.570 -10.733 -8.935 1.00 0.00 C ATOM 708 CD LYS A 51 -1.725 -11.614 -9.382 1.00 0.00 C ATOM 709 CE LYS A 51 -2.983 -10.797 -9.636 1.00 0.00 C ATOM 710 NZ LYS A 51 -3.566 -10.269 -8.372 1.00 0.00 N ATOM 0 H LYS A 51 1.065 -8.544 -8.460 1.00 0.00 H new ATOM 0 HA LYS A 51 2.197 -10.989 -9.545 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.166 -9.329 -10.497 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.186 -10.993 -10.919 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.065 -11.287 -8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.957 -9.871 -8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.447 -12.147 -10.291 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.926 -12.367 -8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.748 -9.967 -10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.721 -11.416 -10.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.564 -10.021 -8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.501 -10.995 -7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.041 -9.422 -8.075 1.00 0.00 H new ATOM 724 N ALA A 52 2.249 -8.128 -11.192 1.00 0.00 N ATOM 725 CA ALA A 52 2.881 -7.428 -12.303 1.00 0.00 C ATOM 726 C ALA A 52 4.401 -7.453 -12.175 1.00 0.00 C ATOM 727 O ALA A 52 5.106 -7.819 -13.115 1.00 0.00 O ATOM 728 CB ALA A 52 2.379 -5.993 -12.378 1.00 0.00 C ATOM 0 H ALA A 52 1.651 -7.542 -10.610 1.00 0.00 H new ATOM 0 HA ALA A 52 2.612 -7.944 -13.225 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.860 -5.483 -13.212 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.299 -5.993 -12.526 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.618 -5.475 -11.449 1.00 0.00 H new ATOM 734 N GLN A 53 4.897 -7.061 -11.006 1.00 0.00 N ATOM 735 CA GLN A 53 6.334 -7.037 -10.756 1.00 0.00 C ATOM 736 C GLN A 53 6.896 -8.453 -10.681 1.00 0.00 C ATOM 737 O GLN A 53 7.734 -8.842 -11.494 1.00 0.00 O ATOM 738 CB GLN A 53 6.635 -6.287 -9.458 1.00 0.00 C ATOM 739 CG GLN A 53 6.525 -4.776 -9.589 1.00 0.00 C ATOM 740 CD GLN A 53 6.568 -4.070 -8.248 1.00 0.00 C ATOM 741 OE1 GLN A 53 7.562 -3.430 -7.902 1.00 0.00 O ATOM 742 NE2 GLN A 53 5.488 -4.181 -7.485 1.00 0.00 N ATOM 0 H GLN A 53 4.326 -6.756 -10.218 1.00 0.00 H new ATOM 0 HA GLN A 53 6.813 -6.518 -11.586 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.947 -6.627 -8.684 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.641 -6.542 -9.125 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.338 -4.409 -10.215 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.594 -4.526 -10.097 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.687 -4.721 -7.811 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.459 -3.726 -6.572 1.00 0.00 H new ATOM 751 N GLY A 54 6.430 -9.219 -9.700 1.00 0.00 N ATOM 752 CA GLY A 54 6.899 -10.583 -9.537 1.00 0.00 C ATOM 753 C GLY A 54 6.249 -11.282 -8.360 1.00 0.00 C ATOM 754 O GLY A 54 6.733 -11.193 -7.232 1.00 0.00 O ATOM 0 H GLY A 54 5.736 -8.920 -9.015 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.695 -11.146 -10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.980 -10.578 -9.401 1.00 0.00 H new ATOM 758 N ALA A 55 5.148 -11.979 -8.622 1.00 0.00 N ATOM 759 CA ALA A 55 4.431 -12.697 -7.575 1.00 0.00 C ATOM 760 C ALA A 55 5.373 -13.594 -6.780 1.00 0.00 C ATOM 761 O ALA A 55 5.292 -13.666 -5.553 1.00 0.00 O ATOM 762 CB ALA A 55 3.300 -13.518 -8.178 1.00 0.00 C ATOM 0 H ALA A 55 4.733 -12.062 -9.550 1.00 0.00 H new ATOM 0 HA ALA A 55 4.007 -11.963 -6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.773 -14.049 -7.385 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.605 -12.856 -8.695 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.710 -14.238 -8.886 1.00 0.00 H new ATOM 768 N THR A 56 6.268 -14.278 -7.486 1.00 0.00 N ATOM 769 CA THR A 56 7.225 -15.172 -6.847 1.00 0.00 C ATOM 770 C THR A 56 8.524 -14.444 -6.519 1.00 0.00 C ATOM 771 O THR A 56 9.115 -14.654 -5.461 1.00 0.00 O ATOM 772 CB THR A 56 7.541 -16.387 -7.739 1.00 0.00 C ATOM 773 OG1 THR A 56 6.325 -17.003 -8.178 1.00 0.00 O ATOM 774 CG2 THR A 56 8.388 -17.404 -6.988 1.00 0.00 C ATOM 0 H THR A 56 6.350 -14.230 -8.502 1.00 0.00 H new ATOM 0 HA THR A 56 6.764 -15.520 -5.923 1.00 0.00 H new ATOM 0 HB THR A 56 8.103 -16.037 -8.605 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.535 -17.774 -8.746 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.598 -18.253 -7.638 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.326 -16.941 -6.681 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.847 -17.747 -6.106 1.00 0.00 H new ATOM 782 N GLY A 57 8.963 -13.587 -7.435 1.00 0.00 N ATOM 783 CA GLY A 57 10.190 -12.840 -7.224 1.00 0.00 C ATOM 784 C GLY A 57 10.004 -11.678 -6.269 1.00 0.00 C ATOM 785 O GLY A 57 9.160 -11.730 -5.376 1.00 0.00 O ATOM 0 H GLY A 57 8.492 -13.396 -8.319 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.956 -13.509 -6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.553 -12.465 -8.181 1.00 0.00 H new ATOM 789 N GLU A 58 10.797 -10.627 -6.457 1.00 0.00 N ATOM 790 CA GLU A 58 10.717 -9.449 -5.602 1.00 0.00 C ATOM 791 C GLU A 58 9.589 -8.525 -6.053 1.00 0.00 C ATOM 792 O GLU A 58 9.142 -8.587 -7.199 1.00 0.00 O ATOM 793 CB GLU A 58 12.047 -8.692 -5.613 1.00 0.00 C ATOM 794 CG GLU A 58 12.465 -8.217 -6.994 1.00 0.00 C ATOM 795 CD GLU A 58 13.919 -7.792 -7.050 1.00 0.00 C ATOM 796 OE1 GLU A 58 14.465 -7.408 -5.994 1.00 0.00 O ATOM 797 OE2 GLU A 58 14.512 -7.844 -8.147 1.00 0.00 O ATOM 0 H GLU A 58 11.501 -10.568 -7.193 1.00 0.00 H new ATOM 0 HA GLU A 58 10.506 -9.783 -4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.971 -7.831 -4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.826 -9.338 -5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.296 -9.016 -7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.834 -7.380 -7.292 1.00 0.00 H new ATOM 804 N VAL A 59 9.134 -7.668 -5.144 1.00 0.00 N ATOM 805 CA VAL A 59 8.059 -6.731 -5.448 1.00 0.00 C ATOM 806 C VAL A 59 8.307 -5.379 -4.788 1.00 0.00 C ATOM 807 O VAL A 59 8.196 -5.242 -3.569 1.00 0.00 O ATOM 808 CB VAL A 59 6.694 -7.274 -4.986 1.00 0.00 C ATOM 809 CG1 VAL A 59 5.590 -6.274 -5.295 1.00 0.00 C ATOM 810 CG2 VAL A 59 6.407 -8.617 -5.638 1.00 0.00 C ATOM 0 H VAL A 59 9.493 -7.603 -4.191 1.00 0.00 H new ATOM 0 HA VAL A 59 8.043 -6.606 -6.531 1.00 0.00 H new ATOM 0 HB VAL A 59 6.727 -7.421 -3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.633 -6.674 -4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.792 -5.337 -4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.553 -6.093 -6.369 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.439 -8.986 -5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.393 -8.500 -6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.184 -9.330 -5.360 1.00 0.00 H new ATOM 820 N TYR A 60 8.641 -4.383 -5.600 1.00 0.00 N ATOM 821 CA TYR A 60 8.906 -3.041 -5.095 1.00 0.00 C ATOM 822 C TYR A 60 7.604 -2.287 -4.841 1.00 0.00 C ATOM 823 O TYR A 60 6.528 -2.729 -5.246 1.00 0.00 O ATOM 824 CB TYR A 60 9.774 -2.263 -6.085 1.00 0.00 C ATOM 825 CG TYR A 60 11.204 -2.750 -6.150 1.00 0.00 C ATOM 826 CD1 TYR A 60 11.492 -4.102 -6.294 1.00 0.00 C ATOM 827 CD2 TYR A 60 12.267 -1.859 -6.067 1.00 0.00 C ATOM 828 CE1 TYR A 60 12.797 -4.552 -6.353 1.00 0.00 C ATOM 829 CE2 TYR A 60 13.575 -2.300 -6.126 1.00 0.00 C ATOM 830 CZ TYR A 60 13.835 -3.647 -6.269 1.00 0.00 C ATOM 831 OH TYR A 60 15.136 -4.090 -6.328 1.00 0.00 O ATOM 0 H TYR A 60 8.735 -4.479 -6.611 1.00 0.00 H new ATOM 0 HA TYR A 60 9.440 -3.135 -4.150 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.330 -2.333 -7.078 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.770 -1.209 -5.808 1.00 0.00 H new ATOM 0 HD1 TYR A 60 10.682 -4.813 -6.361 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.067 -0.804 -5.954 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.003 -5.606 -6.464 1.00 0.00 H new ATOM 0 HE2 TYR A 60 14.390 -1.594 -6.061 1.00 0.00 H new ATOM 0 HH TYR A 60 15.745 -3.326 -6.256 1.00 0.00 H new ATOM 841 N CYS A 61 7.711 -1.146 -4.168 1.00 0.00 N ATOM 842 CA CYS A 61 6.544 -0.329 -3.859 1.00 0.00 C ATOM 843 C CYS A 61 5.511 -0.409 -4.980 1.00 0.00 C ATOM 844 O CYS A 61 5.835 -0.314 -6.164 1.00 0.00 O ATOM 845 CB CYS A 61 6.959 1.126 -3.636 1.00 0.00 C ATOM 846 SG CYS A 61 5.725 2.123 -2.740 1.00 0.00 S ATOM 0 H CYS A 61 8.594 -0.767 -3.826 1.00 0.00 H new ATOM 0 HA CYS A 61 6.093 -0.715 -2.945 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.897 1.144 -3.081 1.00 0.00 H new ATOM 0 HB3 CYS A 61 7.152 1.590 -4.603 1.00 0.00 H new ATOM 851 N PRO A 62 4.237 -0.587 -4.599 1.00 0.00 N ATOM 852 CA PRO A 62 3.131 -0.683 -5.557 1.00 0.00 C ATOM 853 C PRO A 62 2.843 0.648 -6.244 1.00 0.00 C ATOM 854 O PRO A 62 1.891 0.765 -7.016 1.00 0.00 O ATOM 855 CB PRO A 62 1.944 -1.103 -4.686 1.00 0.00 C ATOM 856 CG PRO A 62 2.283 -0.612 -3.321 1.00 0.00 C ATOM 857 CD PRO A 62 3.779 -0.708 -3.205 1.00 0.00 C ATOM 0 HA PRO A 62 3.351 -1.379 -6.366 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.014 -0.663 -5.045 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.809 -2.185 -4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.946 0.415 -3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.793 -1.215 -2.557 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.185 0.086 -2.578 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.088 -1.654 -2.761 1.00 0.00 H new ATOM 865 N SER A 63 3.670 1.648 -5.958 1.00 0.00 N ATOM 866 CA SER A 63 3.502 2.971 -6.547 1.00 0.00 C ATOM 867 C SER A 63 4.427 3.154 -7.746 1.00 0.00 C ATOM 868 O SER A 63 4.118 3.901 -8.674 1.00 0.00 O ATOM 869 CB SER A 63 3.780 4.056 -5.504 1.00 0.00 C ATOM 870 OG SER A 63 5.172 4.240 -5.318 1.00 0.00 O ATOM 0 H SER A 63 4.463 1.567 -5.322 1.00 0.00 H new ATOM 0 HA SER A 63 2.471 3.061 -6.889 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.325 4.994 -5.821 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.317 3.781 -4.556 1.00 0.00 H new ATOM 0 HG SER A 63 5.478 3.686 -4.570 1.00 0.00 H new ATOM 876 N GLY A 64 5.564 2.467 -7.719 1.00 0.00 N ATOM 877 CA GLY A 64 6.518 2.566 -8.808 1.00 0.00 C ATOM 878 C GLY A 64 7.619 3.568 -8.525 1.00 0.00 C ATOM 879 O GLY A 64 8.143 4.200 -9.442 1.00 0.00 O ATOM 0 H GLY A 64 5.842 1.843 -6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.960 1.586 -8.990 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.995 2.854 -9.720 1.00 0.00 H new ATOM 883 N GLU A 65 7.970 3.716 -7.251 1.00 0.00 N ATOM 884 CA GLU A 65 9.015 4.651 -6.850 1.00 0.00 C ATOM 885 C GLU A 65 10.204 3.910 -6.246 1.00 0.00 C ATOM 886 O GLU A 65 11.299 4.462 -6.128 1.00 0.00 O ATOM 887 CB GLU A 65 8.465 5.663 -5.844 1.00 0.00 C ATOM 888 CG GLU A 65 7.316 6.498 -6.385 1.00 0.00 C ATOM 889 CD GLU A 65 7.646 7.152 -7.713 1.00 0.00 C ATOM 890 OE1 GLU A 65 8.731 7.759 -7.823 1.00 0.00 O ATOM 891 OE2 GLU A 65 6.817 7.055 -8.643 1.00 0.00 O ATOM 0 H GLU A 65 7.546 3.201 -6.479 1.00 0.00 H new ATOM 0 HA GLU A 65 9.354 5.182 -7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.129 5.131 -4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.271 6.328 -5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.436 5.865 -6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.058 7.269 -5.659 1.00 0.00 H new ATOM 898 N LYS A 66 9.982 2.657 -5.864 1.00 0.00 N ATOM 899 CA LYS A 66 11.034 1.839 -5.272 1.00 0.00 C ATOM 900 C LYS A 66 11.503 2.432 -3.947 1.00 0.00 C ATOM 901 O LYS A 66 12.703 2.577 -3.711 1.00 0.00 O ATOM 902 CB LYS A 66 12.216 1.716 -6.235 1.00 0.00 C ATOM 903 CG LYS A 66 11.819 1.262 -7.629 1.00 0.00 C ATOM 904 CD LYS A 66 12.944 1.479 -8.628 1.00 0.00 C ATOM 905 CE LYS A 66 13.915 0.308 -8.636 1.00 0.00 C ATOM 906 NZ LYS A 66 13.375 -0.855 -9.394 1.00 0.00 N ATOM 0 H LYS A 66 9.082 2.185 -5.954 1.00 0.00 H new ATOM 0 HA LYS A 66 10.625 0.847 -5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.719 2.681 -6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.937 1.010 -5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.550 0.206 -7.606 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.933 1.809 -7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.526 1.613 -9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.480 2.396 -8.381 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.860 0.623 -9.079 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.128 0.006 -7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.239 -1.658 -8.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.463 -0.597 -9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.045 -1.123 -10.143 1.00 0.00 H new ATOM 920 N CYS A 67 10.551 2.773 -3.086 1.00 0.00 N ATOM 921 CA CYS A 67 10.867 3.350 -1.784 1.00 0.00 C ATOM 922 C CYS A 67 11.646 2.358 -0.925 1.00 0.00 C ATOM 923 O CYS A 67 11.185 1.254 -0.635 1.00 0.00 O ATOM 924 CB CYS A 67 9.584 3.768 -1.063 1.00 0.00 C ATOM 925 SG CYS A 67 8.355 4.573 -2.140 1.00 0.00 S ATOM 0 H CYS A 67 9.553 2.660 -3.266 1.00 0.00 H new ATOM 0 HA CYS A 67 11.488 4.231 -1.946 1.00 0.00 H new ATOM 0 HB2 CYS A 67 9.131 2.887 -0.609 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.841 4.448 -0.251 1.00 0.00 H new ATOM 930 N PRO A 68 12.856 2.760 -0.507 1.00 0.00 N ATOM 931 CA PRO A 68 13.724 1.923 0.325 1.00 0.00 C ATOM 932 C PRO A 68 13.184 1.754 1.741 1.00 0.00 C ATOM 933 O PRO A 68 12.274 2.473 2.159 1.00 0.00 O ATOM 934 CB PRO A 68 15.046 2.694 0.346 1.00 0.00 C ATOM 935 CG PRO A 68 14.661 4.112 0.098 1.00 0.00 C ATOM 936 CD PRO A 68 13.468 4.064 -0.815 1.00 0.00 C ATOM 0 HA PRO A 68 13.811 0.910 -0.068 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.554 2.583 1.304 1.00 0.00 H new ATOM 0 HB3 PRO A 68 15.729 2.329 -0.421 1.00 0.00 H new ATOM 0 HG2 PRO A 68 14.418 4.619 1.032 1.00 0.00 H new ATOM 0 HG3 PRO A 68 15.481 4.664 -0.360 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.780 4.887 -0.621 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.761 4.133 -1.863 1.00 0.00 H new ATOM 944 N LEU A 69 13.748 0.802 2.475 1.00 0.00 N ATOM 945 CA LEU A 69 13.322 0.540 3.846 1.00 0.00 C ATOM 946 C LEU A 69 13.616 1.736 4.746 1.00 0.00 C ATOM 947 O LEU A 69 14.469 2.567 4.433 1.00 0.00 O ATOM 948 CB LEU A 69 14.024 -0.706 4.389 1.00 0.00 C ATOM 949 CG LEU A 69 13.403 -2.049 4.003 1.00 0.00 C ATOM 950 CD1 LEU A 69 14.471 -3.129 3.924 1.00 0.00 C ATOM 951 CD2 LEU A 69 12.318 -2.440 4.996 1.00 0.00 C ATOM 0 H LEU A 69 14.501 0.199 2.145 1.00 0.00 H new ATOM 0 HA LEU A 69 12.245 0.370 3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.058 -0.695 4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.049 -0.639 5.477 1.00 0.00 H new ATOM 0 HG LEU A 69 12.947 -1.947 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.010 -4.077 3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.212 -2.854 3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.958 -3.231 4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.887 -3.398 4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.750 -2.524 5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.538 -1.678 5.002 1.00 0.00 H new ATOM 963 N VAL A 70 12.905 1.815 5.866 1.00 0.00 N ATOM 964 CA VAL A 70 13.092 2.907 6.814 1.00 0.00 C ATOM 965 C VAL A 70 14.372 2.722 7.621 1.00 0.00 C ATOM 966 O VAL A 70 15.082 3.685 7.908 1.00 0.00 O ATOM 967 CB VAL A 70 11.899 3.020 7.782 1.00 0.00 C ATOM 968 CG1 VAL A 70 11.626 1.682 8.451 1.00 0.00 C ATOM 969 CG2 VAL A 70 12.157 4.102 8.820 1.00 0.00 C ATOM 0 H VAL A 70 12.194 1.136 6.139 1.00 0.00 H new ATOM 0 HA VAL A 70 13.165 3.824 6.230 1.00 0.00 H new ATOM 0 HB VAL A 70 11.014 3.300 7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.780 1.781 9.131 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.395 0.936 7.691 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.507 1.369 9.011 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.304 4.169 9.496 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.053 3.854 9.389 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.299 5.060 8.320 1.00 0.00 H new ATOM 979 N GLY A 71 14.661 1.476 7.984 1.00 0.00 N ATOM 980 CA GLY A 71 15.856 1.186 8.754 1.00 0.00 C ATOM 981 C GLY A 71 16.951 0.560 7.913 1.00 0.00 C ATOM 982 O GLY A 71 17.877 -0.052 8.444 1.00 0.00 O ATOM 0 H GLY A 71 14.089 0.662 7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 71 16.228 2.107 9.202 1.00 0.00 H new ATOM 0 HA3 GLY A 71 15.602 0.513 9.573 1.00 0.00 H new ATOM 986 N SER A 72 16.844 0.711 6.597 1.00 0.00 N ATOM 987 CA SER A 72 17.829 0.150 5.681 1.00 0.00 C ATOM 988 C SER A 72 17.773 0.852 4.327 1.00 0.00 C ATOM 989 O SER A 72 16.907 1.692 4.087 1.00 0.00 O ATOM 990 CB SER A 72 17.593 -1.350 5.500 1.00 0.00 C ATOM 991 OG SER A 72 18.332 -2.100 6.449 1.00 0.00 O ATOM 0 H SER A 72 16.085 1.217 6.141 1.00 0.00 H new ATOM 0 HA SER A 72 18.818 0.305 6.111 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.531 -1.570 5.606 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.881 -1.648 4.492 1.00 0.00 H new ATOM 0 HG SER A 72 18.356 -1.616 7.301 1.00 0.00 H new ATOM 997 N ASN A 73 18.703 0.499 3.446 1.00 0.00 N ATOM 998 CA ASN A 73 18.761 1.094 2.115 1.00 0.00 C ATOM 999 C ASN A 73 18.315 0.095 1.052 1.00 0.00 C ATOM 1000 O ASN A 73 18.844 0.078 -0.060 1.00 0.00 O ATOM 1001 CB ASN A 73 20.180 1.580 1.812 1.00 0.00 C ATOM 1002 CG ASN A 73 21.237 0.756 2.521 1.00 0.00 C ATOM 1003 OD1 ASN A 73 21.108 -0.462 2.649 1.00 0.00 O ATOM 1004 ND2 ASN A 73 22.289 1.418 2.987 1.00 0.00 N ATOM 0 H ASN A 73 19.427 -0.196 3.629 1.00 0.00 H new ATOM 0 HA ASN A 73 18.081 1.945 2.095 1.00 0.00 H new ATOM 0 HB2 ASN A 73 20.353 1.540 0.737 1.00 0.00 H new ATOM 0 HB3 ASN A 73 20.275 2.624 2.112 1.00 0.00 H new ATOM 0 HD21 ASN A 73 23.032 0.917 3.474 1.00 0.00 H new ATOM 0 HD22 ASN A 73 22.354 2.428 2.858 1.00 0.00 H new ATOM 1011 N VAL A 74 17.339 -0.737 1.402 1.00 0.00 N ATOM 1012 CA VAL A 74 16.821 -1.739 0.478 1.00 0.00 C ATOM 1013 C VAL A 74 15.311 -1.609 0.317 1.00 0.00 C ATOM 1014 O VAL A 74 14.570 -1.448 1.288 1.00 0.00 O ATOM 1015 CB VAL A 74 17.156 -3.166 0.951 1.00 0.00 C ATOM 1016 CG1 VAL A 74 16.494 -4.197 0.049 1.00 0.00 C ATOM 1017 CG2 VAL A 74 18.662 -3.372 0.996 1.00 0.00 C ATOM 0 H VAL A 74 16.891 -0.737 2.319 1.00 0.00 H new ATOM 0 HA VAL A 74 17.302 -1.562 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 74 16.765 -3.297 1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.742 -5.199 0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 74 15.413 -4.061 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.852 -4.070 -0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.881 -4.386 1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 74 19.080 -3.222 0.000 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.107 -2.656 1.688 1.00 0.00 H new ATOM 1027 N PRO A 75 14.840 -1.681 -0.937 1.00 0.00 N ATOM 1028 CA PRO A 75 13.413 -1.576 -1.254 1.00 0.00 C ATOM 1029 C PRO A 75 12.623 -2.792 -0.784 1.00 0.00 C ATOM 1030 O PRO A 75 12.706 -3.866 -1.379 1.00 0.00 O ATOM 1031 CB PRO A 75 13.395 -1.485 -2.782 1.00 0.00 C ATOM 1032 CG PRO A 75 14.653 -2.156 -3.216 1.00 0.00 C ATOM 1033 CD PRO A 75 15.666 -1.872 -2.141 1.00 0.00 C ATOM 0 HA PRO A 75 12.947 -0.725 -0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.518 -1.981 -3.198 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.364 -0.448 -3.117 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.502 -3.229 -3.336 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.988 -1.772 -4.179 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.367 -2.698 -2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.256 -0.984 -2.369 1.00 0.00 H new ATOM 1041 N TRP A 76 11.857 -2.616 0.287 1.00 0.00 N ATOM 1042 CA TRP A 76 11.052 -3.700 0.837 1.00 0.00 C ATOM 1043 C TRP A 76 10.381 -4.498 -0.276 1.00 0.00 C ATOM 1044 O TRP A 76 9.582 -3.962 -1.042 1.00 0.00 O ATOM 1045 CB TRP A 76 9.993 -3.143 1.791 1.00 0.00 C ATOM 1046 CG TRP A 76 9.281 -1.940 1.251 1.00 0.00 C ATOM 1047 CD1 TRP A 76 9.755 -0.660 1.205 1.00 0.00 C ATOM 1048 CD2 TRP A 76 7.968 -1.905 0.683 1.00 0.00 C ATOM 1049 NE1 TRP A 76 8.814 0.169 0.643 1.00 0.00 N ATOM 1050 CE2 TRP A 76 7.709 -0.571 0.313 1.00 0.00 C ATOM 1051 CE3 TRP A 76 6.985 -2.871 0.448 1.00 0.00 C ATOM 1052 CZ2 TRP A 76 6.510 -0.181 -0.277 1.00 0.00 C ATOM 1053 CZ3 TRP A 76 5.795 -2.482 -0.137 1.00 0.00 C ATOM 1054 CH2 TRP A 76 5.566 -1.147 -0.495 1.00 0.00 C ATOM 0 H TRP A 76 11.777 -1.733 0.791 1.00 0.00 H new ATOM 0 HA TRP A 76 11.714 -4.367 1.389 1.00 0.00 H new ATOM 0 HB2 TRP A 76 9.262 -3.923 2.006 1.00 0.00 H new ATOM 0 HB3 TRP A 76 10.468 -2.881 2.737 1.00 0.00 H new ATOM 0 HD1 TRP A 76 10.726 -0.346 1.558 1.00 0.00 H new ATOM 0 HE1 TRP A 76 8.921 1.173 0.495 1.00 0.00 H new ATOM 0 HE3 TRP A 76 7.153 -3.903 0.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 6.331 0.848 -0.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 5.028 -3.220 -0.321 1.00 0.00 H new ATOM 0 HH2 TRP A 76 4.626 -0.875 -0.952 1.00 0.00 H new ATOM 1065 N ALA A 77 10.712 -5.783 -0.358 1.00 0.00 N ATOM 1066 CA ALA A 77 10.139 -6.655 -1.376 1.00 0.00 C ATOM 1067 C ALA A 77 9.311 -7.768 -0.743 1.00 0.00 C ATOM 1068 O ALA A 77 9.841 -8.622 -0.031 1.00 0.00 O ATOM 1069 CB ALA A 77 11.240 -7.244 -2.246 1.00 0.00 C ATOM 0 H ALA A 77 11.373 -6.243 0.268 1.00 0.00 H new ATOM 0 HA ALA A 77 9.477 -6.056 -2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.798 -7.893 -3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.788 -6.438 -2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.924 -7.823 -1.625 1.00 0.00 H new ATOM 1075 N PHE A 78 8.009 -7.753 -1.006 1.00 0.00 N ATOM 1076 CA PHE A 78 7.107 -8.760 -0.460 1.00 0.00 C ATOM 1077 C PHE A 78 7.704 -10.158 -0.599 1.00 0.00 C ATOM 1078 O PHE A 78 8.372 -10.463 -1.586 1.00 0.00 O ATOM 1079 CB PHE A 78 5.752 -8.700 -1.169 1.00 0.00 C ATOM 1080 CG PHE A 78 4.994 -7.431 -0.906 1.00 0.00 C ATOM 1081 CD1 PHE A 78 4.509 -7.148 0.361 1.00 0.00 C ATOM 1082 CD2 PHE A 78 4.766 -6.520 -1.925 1.00 0.00 C ATOM 1083 CE1 PHE A 78 3.810 -5.980 0.606 1.00 0.00 C ATOM 1084 CE2 PHE A 78 4.069 -5.351 -1.686 1.00 0.00 C ATOM 1085 CZ PHE A 78 3.591 -5.080 -0.419 1.00 0.00 C ATOM 0 H PHE A 78 7.555 -7.054 -1.594 1.00 0.00 H new ATOM 0 HA PHE A 78 6.965 -8.548 0.600 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.908 -8.805 -2.243 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.146 -9.548 -0.850 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.679 -7.847 1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.138 -6.726 -2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.436 -5.772 1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.898 -4.650 -2.489 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.047 -4.166 -0.230 1.00 0.00 H new ATOM 1095 N MET A 79 7.459 -11.001 0.399 1.00 0.00 N ATOM 1096 CA MET A 79 7.971 -12.366 0.388 1.00 0.00 C ATOM 1097 C MET A 79 6.829 -13.376 0.430 1.00 0.00 C ATOM 1098 O MET A 79 5.715 -13.050 0.839 1.00 0.00 O ATOM 1099 CB MET A 79 8.910 -12.590 1.576 1.00 0.00 C ATOM 1100 CG MET A 79 8.203 -12.574 2.921 1.00 0.00 C ATOM 1101 SD MET A 79 8.194 -10.939 3.681 1.00 0.00 S ATOM 1102 CE MET A 79 6.440 -10.705 3.961 1.00 0.00 C ATOM 0 H MET A 79 6.910 -10.763 1.225 1.00 0.00 H new ATOM 0 HA MET A 79 8.527 -12.512 -0.538 1.00 0.00 H new ATOM 0 HB2 MET A 79 9.417 -13.547 1.453 1.00 0.00 H new ATOM 0 HB3 MET A 79 9.680 -11.819 1.570 1.00 0.00 H new ATOM 0 HG2 MET A 79 7.176 -12.916 2.791 1.00 0.00 H new ATOM 0 HG3 MET A 79 8.692 -13.280 3.593 1.00 0.00 H new ATOM 0 HE1 MET A 79 6.267 -9.713 4.379 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.905 -10.799 3.016 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.079 -11.460 4.659 1.00 0.00 H new ATOM 1112 N GLN A 80 7.114 -14.603 0.006 1.00 0.00 N ATOM 1113 CA GLN A 80 6.109 -15.660 -0.006 1.00 0.00 C ATOM 1114 C GLN A 80 5.105 -15.468 1.126 1.00 0.00 C ATOM 1115 O GLN A 80 3.901 -15.638 0.936 1.00 0.00 O ATOM 1116 CB GLN A 80 6.778 -17.030 0.118 1.00 0.00 C ATOM 1117 CG GLN A 80 7.616 -17.409 -1.093 1.00 0.00 C ATOM 1118 CD GLN A 80 6.887 -17.178 -2.402 1.00 0.00 C ATOM 1119 OE1 GLN A 80 5.692 -17.449 -2.517 1.00 0.00 O ATOM 1120 NE2 GLN A 80 7.606 -16.673 -3.398 1.00 0.00 N ATOM 0 H GLN A 80 8.032 -14.890 -0.334 1.00 0.00 H new ATOM 0 HA GLN A 80 5.575 -15.609 -0.955 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.412 -17.037 1.005 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.010 -17.788 0.270 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.539 -16.828 -1.088 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.900 -18.459 -1.020 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.594 -16.463 -3.258 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.170 -16.495 -4.303 1.00 0.00 H new ATOM 1129 N GLY A 81 5.608 -15.111 2.304 1.00 0.00 N ATOM 1130 CA GLY A 81 4.741 -14.902 3.448 1.00 0.00 C ATOM 1131 C GLY A 81 3.569 -13.995 3.129 1.00 0.00 C ATOM 1132 O GLY A 81 2.457 -14.468 2.893 1.00 0.00 O ATOM 0 H GLY A 81 6.601 -14.963 2.486 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.367 -15.864 3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.320 -14.470 4.264 1.00 0.00 H new ATOM 1136 N GLU A 82 3.816 -12.689 3.125 1.00 0.00 N ATOM 1137 CA GLU A 82 2.771 -11.715 2.836 1.00 0.00 C ATOM 1138 C GLU A 82 2.226 -11.905 1.423 1.00 0.00 C ATOM 1139 O GLU A 82 1.016 -12.019 1.224 1.00 0.00 O ATOM 1140 CB GLU A 82 3.309 -10.292 2.999 1.00 0.00 C ATOM 1141 CG GLU A 82 2.249 -9.283 3.408 1.00 0.00 C ATOM 1142 CD GLU A 82 2.816 -8.144 4.233 1.00 0.00 C ATOM 1143 OE1 GLU A 82 3.537 -8.422 5.213 1.00 0.00 O ATOM 1144 OE2 GLU A 82 2.537 -6.974 3.897 1.00 0.00 O ATOM 0 H GLU A 82 4.731 -12.281 3.319 1.00 0.00 H new ATOM 0 HA GLU A 82 1.958 -11.872 3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.102 -10.296 3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.759 -9.973 2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.774 -8.878 2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.472 -9.790 3.980 1.00 0.00 H new ATOM 1151 N ILE A 83 3.127 -11.939 0.447 1.00 0.00 N ATOM 1152 CA ILE A 83 2.737 -12.116 -0.946 1.00 0.00 C ATOM 1153 C ILE A 83 1.490 -12.988 -1.061 1.00 0.00 C ATOM 1154 O ILE A 83 0.641 -12.762 -1.923 1.00 0.00 O ATOM 1155 CB ILE A 83 3.871 -12.751 -1.772 1.00 0.00 C ATOM 1156 CG1 ILE A 83 5.082 -11.817 -1.817 1.00 0.00 C ATOM 1157 CG2 ILE A 83 3.388 -13.069 -3.179 1.00 0.00 C ATOM 1158 CD1 ILE A 83 6.246 -12.375 -2.606 1.00 0.00 C ATOM 0 H ILE A 83 4.132 -11.846 0.595 1.00 0.00 H new ATOM 0 HA ILE A 83 2.522 -11.124 -1.342 1.00 0.00 H new ATOM 0 HB ILE A 83 4.172 -13.683 -1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.780 -10.865 -2.254 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.410 -11.611 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.201 -13.517 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.553 -13.767 -3.128 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.064 -12.151 -3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.069 -11.660 -2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 83 6.574 -13.312 -2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.935 -12.555 -3.635 1.00 0.00 H new ATOM 1170 N ALA A 84 1.387 -13.982 -0.186 1.00 0.00 N ATOM 1171 CA ALA A 84 0.243 -14.885 -0.187 1.00 0.00 C ATOM 1172 C ALA A 84 -0.870 -14.362 0.715 1.00 0.00 C ATOM 1173 O ALA A 84 -2.050 -14.435 0.370 1.00 0.00 O ATOM 1174 CB ALA A 84 0.669 -16.278 0.250 1.00 0.00 C ATOM 0 H ALA A 84 2.082 -14.183 0.533 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.145 -14.939 -1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.196 -16.941 0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.424 -16.660 -0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.085 -16.232 1.257 1.00 0.00 H new ATOM 1180 N THR A 85 -0.487 -13.836 1.874 1.00 0.00 N ATOM 1181 CA THR A 85 -1.452 -13.303 2.828 1.00 0.00 C ATOM 1182 C THR A 85 -2.333 -12.240 2.182 1.00 0.00 C ATOM 1183 O THR A 85 -3.546 -12.214 2.392 1.00 0.00 O ATOM 1184 CB THR A 85 -0.750 -12.694 4.057 1.00 0.00 C ATOM 1185 OG1 THR A 85 -0.085 -13.722 4.800 1.00 0.00 O ATOM 1186 CG2 THR A 85 -1.751 -11.980 4.953 1.00 0.00 C ATOM 0 H THR A 85 0.485 -13.768 2.175 1.00 0.00 H new ATOM 0 HA THR A 85 -2.072 -14.139 3.151 1.00 0.00 H new ATOM 0 HB THR A 85 -0.017 -11.967 3.707 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.697 -14.034 4.299 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.232 -11.558 5.814 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.235 -11.180 4.393 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.504 -12.690 5.295 1.00 0.00 H new ATOM 1194 N ILE A 86 -1.716 -11.364 1.395 1.00 0.00 N ATOM 1195 CA ILE A 86 -2.446 -10.300 0.717 1.00 0.00 C ATOM 1196 C ILE A 86 -3.212 -10.839 -0.486 1.00 0.00 C ATOM 1197 O ILE A 86 -4.415 -10.612 -0.622 1.00 0.00 O ATOM 1198 CB ILE A 86 -1.499 -9.179 0.249 1.00 0.00 C ATOM 1199 CG1 ILE A 86 -0.756 -8.577 1.443 1.00 0.00 C ATOM 1200 CG2 ILE A 86 -2.279 -8.103 -0.493 1.00 0.00 C ATOM 1201 CD1 ILE A 86 0.365 -7.641 1.048 1.00 0.00 C ATOM 0 H ILE A 86 -0.713 -11.371 1.212 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.152 -9.891 1.440 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.765 -9.606 -0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.467 -8.036 2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.347 -9.384 2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.597 -7.317 -0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.767 -8.542 -1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.033 -7.678 0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.847 -7.252 1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.097 -8.182 0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.040 -6.813 0.466 1.00 0.00 H new ATOM 1213 N LEU A 87 -2.508 -11.555 -1.356 1.00 0.00 N ATOM 1214 CA LEU A 87 -3.122 -12.129 -2.548 1.00 0.00 C ATOM 1215 C LEU A 87 -4.465 -12.770 -2.214 1.00 0.00 C ATOM 1216 O LEU A 87 -5.470 -12.510 -2.877 1.00 0.00 O ATOM 1217 CB LEU A 87 -2.190 -13.168 -3.176 1.00 0.00 C ATOM 1218 CG LEU A 87 -1.143 -12.628 -4.150 1.00 0.00 C ATOM 1219 CD1 LEU A 87 -0.200 -13.738 -4.589 1.00 0.00 C ATOM 1220 CD2 LEU A 87 -1.816 -11.990 -5.357 1.00 0.00 C ATOM 0 H LEU A 87 -1.512 -11.752 -1.258 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.292 -11.324 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.673 -13.695 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.800 -13.904 -3.700 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.559 -11.863 -3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.539 -13.335 -5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.308 -14.150 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.770 -14.525 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.055 -11.611 -6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.425 -12.734 -5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.450 -11.167 -5.027 1.00 0.00 H new ATOM 1232 N SER A 88 -4.476 -13.607 -1.182 1.00 0.00 N ATOM 1233 CA SER A 88 -5.695 -14.286 -0.761 1.00 0.00 C ATOM 1234 C SER A 88 -6.903 -13.361 -0.884 1.00 0.00 C ATOM 1235 O SER A 88 -7.809 -13.607 -1.679 1.00 0.00 O ATOM 1236 CB SER A 88 -5.559 -14.775 0.683 1.00 0.00 C ATOM 1237 OG SER A 88 -4.430 -15.618 0.831 1.00 0.00 O ATOM 0 H SER A 88 -3.654 -13.831 -0.622 1.00 0.00 H new ATOM 0 HA SER A 88 -5.848 -15.144 -1.416 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.469 -13.920 1.353 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.460 -15.314 0.974 1.00 0.00 H new ATOM 0 HG SER A 88 -3.623 -15.070 0.930 1.00 0.00 H new ATOM 1243 N GLY A 89 -6.906 -12.294 -0.091 1.00 0.00 N ATOM 1244 CA GLY A 89 -8.006 -11.347 -0.126 1.00 0.00 C ATOM 1245 C GLY A 89 -9.299 -11.942 0.396 1.00 0.00 C ATOM 1246 O GLY A 89 -10.080 -12.535 -0.349 1.00 0.00 O ATOM 0 H GLY A 89 -6.167 -12.068 0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.747 -10.471 0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -8.154 -11.005 -1.150 1.00 0.00 H new ATOM 1250 N PRO A 90 -9.540 -11.786 1.706 1.00 0.00 N ATOM 1251 CA PRO A 90 -10.746 -12.306 2.357 1.00 0.00 C ATOM 1252 C PRO A 90 -12.003 -11.551 1.936 1.00 0.00 C ATOM 1253 O PRO A 90 -12.077 -10.329 2.066 1.00 0.00 O ATOM 1254 CB PRO A 90 -10.467 -12.092 3.846 1.00 0.00 C ATOM 1255 CG PRO A 90 -9.498 -10.961 3.891 1.00 0.00 C ATOM 1256 CD PRO A 90 -8.653 -11.090 2.654 1.00 0.00 C ATOM 0 HA PRO A 90 -10.936 -13.346 2.091 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -11.381 -11.852 4.390 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -10.050 -12.989 4.304 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.017 -10.003 3.911 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.884 -11.009 4.790 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.345 -10.116 2.275 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.744 -11.660 2.846 1.00 0.00 H new ATOM 1264 N SER A 91 -12.989 -12.286 1.433 1.00 0.00 N ATOM 1265 CA SER A 91 -14.241 -11.685 0.990 1.00 0.00 C ATOM 1266 C SER A 91 -15.115 -11.309 2.183 1.00 0.00 C ATOM 1267 O SER A 91 -14.920 -11.809 3.291 1.00 0.00 O ATOM 1268 CB SER A 91 -14.998 -12.648 0.073 1.00 0.00 C ATOM 1269 OG SER A 91 -16.048 -11.984 -0.609 1.00 0.00 O ATOM 0 H SER A 91 -12.945 -13.299 1.322 1.00 0.00 H new ATOM 0 HA SER A 91 -14.003 -10.778 0.435 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.309 -13.084 -0.650 1.00 0.00 H new ATOM 0 HB3 SER A 91 -15.405 -13.471 0.661 1.00 0.00 H new ATOM 0 HG SER A 91 -16.515 -12.621 -1.190 1.00 0.00 H new ATOM 1275 N SER A 92 -16.078 -10.424 1.948 1.00 0.00 N ATOM 1276 CA SER A 92 -16.980 -9.977 3.003 1.00 0.00 C ATOM 1277 C SER A 92 -18.400 -10.471 2.749 1.00 0.00 C ATOM 1278 O SER A 92 -19.094 -9.975 1.863 1.00 0.00 O ATOM 1279 CB SER A 92 -16.969 -8.450 3.099 1.00 0.00 C ATOM 1280 OG SER A 92 -17.969 -7.988 3.990 1.00 0.00 O ATOM 0 H SER A 92 -16.254 -10.002 1.036 1.00 0.00 H new ATOM 0 HA SER A 92 -16.631 -10.396 3.947 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.990 -8.111 3.438 1.00 0.00 H new ATOM 0 HB3 SER A 92 -17.131 -8.019 2.111 1.00 0.00 H new ATOM 0 HG SER A 92 -17.940 -7.009 4.035 1.00 0.00 H new ATOM 1286 N GLY A 93 -18.827 -11.455 3.535 1.00 0.00 N ATOM 1287 CA GLY A 93 -20.162 -12.002 3.381 1.00 0.00 C ATOM 1288 C GLY A 93 -21.207 -10.927 3.157 1.00 0.00 C ATOM 1289 O GLY A 93 -22.388 -11.183 3.383 1.00 0.00 O ATOM 0 H GLY A 93 -18.272 -11.883 4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -20.172 -12.695 2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -20.421 -12.576 4.271 1.00 0.00 H new TER 1293 GLY A 93 HETATM 1294 ZN ZN A 200 -6.399 1.019 -2.740 1.00 0.00 ZN HETATM 1295 ZN ZN A 400 6.350 3.805 -1.250 1.00 0.00 ZN