USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 613 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 59 HIS HE2 : A 59 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot 47:sc= -0.928 USER MOD Set 1.2: A 40 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 48 ASN : amide:sc= -3.24! C(o=-4.2!,f=-2!) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.083 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0819 USER MOD Single : A 3 SER OG : rot 55:sc= 1.26 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 9 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.024) USER MOD Single : A 10 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.36) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 173:sc= 0 (180deg=-0.0663) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc=-0.00233 X(o=-0.0023,f=-0.01) USER MOD Single : A 33 LYS NZ :NH3+ -116:sc= -0.0572 (180deg=-1.37) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 59:sc= 1.19 USER MOD Single : A 47 ASN : amide:sc= -0.738 X(o=-0.74,f=-0.37) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -4.91! C(o=-4.9!,f=-6.1!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.505 K(o=-0.51,f=-1.3!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 153:sc= -0.319 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -49:sc= 0.717 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.34) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.299 75.668 -1.148 1.00 0.00 N ATOM 2 CA GLY A 1 7.981 74.599 -2.076 1.00 0.00 C ATOM 3 C GLY A 1 7.509 73.341 -1.373 1.00 0.00 C ATOM 4 O GLY A 1 7.464 73.290 -0.144 1.00 0.00 O ATOM 0 H1 GLY A 1 7.730 76.508 -1.378 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.086 75.360 -0.178 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.309 75.903 -1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.207 74.938 -2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.862 74.368 -2.675 1.00 0.00 H new ATOM 8 N SER A 2 7.156 72.325 -2.153 1.00 0.00 N ATOM 9 CA SER A 2 6.680 71.064 -1.598 1.00 0.00 C ATOM 10 C SER A 2 6.469 70.030 -2.700 1.00 0.00 C ATOM 11 O SER A 2 6.566 70.343 -3.887 1.00 0.00 O ATOM 12 CB SER A 2 5.375 71.281 -0.830 1.00 0.00 C ATOM 13 OG SER A 2 4.997 70.111 -0.126 1.00 0.00 O ATOM 0 H SER A 2 7.191 72.351 -3.172 1.00 0.00 H new ATOM 0 HA SER A 2 7.439 70.688 -0.912 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.495 72.108 -0.130 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.583 71.563 -1.524 1.00 0.00 H new ATOM 0 HG SER A 2 4.161 70.276 0.358 1.00 0.00 H new ATOM 19 N SER A 3 6.181 68.796 -2.298 1.00 0.00 N ATOM 20 CA SER A 3 5.960 67.714 -3.250 1.00 0.00 C ATOM 21 C SER A 3 5.454 66.461 -2.541 1.00 0.00 C ATOM 22 O SER A 3 5.337 66.432 -1.317 1.00 0.00 O ATOM 23 CB SER A 3 7.253 67.399 -4.005 1.00 0.00 C ATOM 24 OG SER A 3 7.368 68.193 -5.173 1.00 0.00 O ATOM 0 H SER A 3 6.095 68.521 -1.320 1.00 0.00 H new ATOM 0 HA SER A 3 5.201 68.039 -3.962 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.110 67.577 -3.355 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.272 66.343 -4.276 1.00 0.00 H new ATOM 0 HG SER A 3 7.297 69.140 -4.933 1.00 0.00 H new ATOM 30 N GLY A 4 5.156 65.427 -3.321 1.00 0.00 N ATOM 31 CA GLY A 4 4.665 64.186 -2.752 1.00 0.00 C ATOM 32 C GLY A 4 4.577 63.073 -3.777 1.00 0.00 C ATOM 33 O GLY A 4 4.837 63.288 -4.961 1.00 0.00 O ATOM 0 H GLY A 4 5.246 65.427 -4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.323 63.877 -1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.680 64.354 -2.317 1.00 0.00 H new ATOM 37 N SER A 5 4.210 61.879 -3.322 1.00 0.00 N ATOM 38 CA SER A 5 4.093 60.726 -4.208 1.00 0.00 C ATOM 39 C SER A 5 3.518 59.525 -3.463 1.00 0.00 C ATOM 40 O SER A 5 3.809 59.313 -2.286 1.00 0.00 O ATOM 41 CB SER A 5 5.459 60.369 -4.797 1.00 0.00 C ATOM 42 OG SER A 5 5.321 59.746 -6.063 1.00 0.00 O ATOM 0 H SER A 5 3.989 61.685 -2.345 1.00 0.00 H new ATOM 0 HA SER A 5 3.413 60.988 -5.018 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.063 61.271 -4.896 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.989 59.703 -4.116 1.00 0.00 H new ATOM 0 HG SER A 5 6.208 59.529 -6.419 1.00 0.00 H new ATOM 48 N SER A 6 2.698 58.743 -4.159 1.00 0.00 N ATOM 49 CA SER A 6 2.078 57.565 -3.564 1.00 0.00 C ATOM 50 C SER A 6 1.891 56.465 -4.604 1.00 0.00 C ATOM 51 O SER A 6 2.112 56.678 -5.796 1.00 0.00 O ATOM 52 CB SER A 6 0.728 57.931 -2.945 1.00 0.00 C ATOM 53 OG SER A 6 -0.208 58.302 -3.943 1.00 0.00 O ATOM 0 H SER A 6 2.448 58.904 -5.135 1.00 0.00 H new ATOM 0 HA SER A 6 2.740 57.193 -2.782 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.343 57.083 -2.378 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.858 58.753 -2.241 1.00 0.00 H new ATOM 0 HG SER A 6 -1.063 58.529 -3.521 1.00 0.00 H new ATOM 59 N GLY A 7 1.482 55.287 -4.144 1.00 0.00 N ATOM 60 CA GLY A 7 1.273 54.170 -5.047 1.00 0.00 C ATOM 61 C GLY A 7 0.115 53.289 -4.621 1.00 0.00 C ATOM 62 O GLY A 7 -0.202 53.200 -3.434 1.00 0.00 O ATOM 0 H GLY A 7 1.292 55.086 -3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.087 54.549 -6.052 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.182 53.571 -5.096 1.00 0.00 H new ATOM 66 N ILE A 8 -0.520 52.639 -5.590 1.00 0.00 N ATOM 67 CA ILE A 8 -1.649 51.762 -5.308 1.00 0.00 C ATOM 68 C ILE A 8 -1.550 50.464 -6.104 1.00 0.00 C ATOM 69 O ILE A 8 -1.014 50.442 -7.212 1.00 0.00 O ATOM 70 CB ILE A 8 -2.989 52.448 -5.633 1.00 0.00 C ATOM 71 CG1 ILE A 8 -3.136 53.739 -4.824 1.00 0.00 C ATOM 72 CG2 ILE A 8 -4.150 51.505 -5.351 1.00 0.00 C ATOM 73 CD1 ILE A 8 -2.564 54.955 -5.519 1.00 0.00 C ATOM 0 H ILE A 8 -0.272 52.703 -6.577 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.614 51.536 -4.242 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.002 52.702 -6.693 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.192 53.911 -4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.640 53.614 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.090 52.005 -5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.051 50.611 -5.967 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.142 51.223 -4.298 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.703 55.833 -4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.500 54.803 -5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.076 55.106 -6.469 1.00 0.00 H new ATOM 85 N HIS A 9 -2.071 49.384 -5.531 1.00 0.00 N ATOM 86 CA HIS A 9 -2.043 48.082 -6.187 1.00 0.00 C ATOM 87 C HIS A 9 -2.827 47.050 -5.381 1.00 0.00 C ATOM 88 O HIS A 9 -2.906 47.135 -4.155 1.00 0.00 O ATOM 89 CB HIS A 9 -0.600 47.612 -6.374 1.00 0.00 C ATOM 90 CG HIS A 9 -0.410 46.717 -7.560 1.00 0.00 C ATOM 91 ND1 HIS A 9 0.440 45.632 -7.555 1.00 0.00 N ATOM 92 CD2 HIS A 9 -0.968 46.751 -8.793 1.00 0.00 C ATOM 93 CE1 HIS A 9 0.398 45.038 -8.734 1.00 0.00 C ATOM 94 NE2 HIS A 9 -0.449 45.697 -9.503 1.00 0.00 N ATOM 0 H HIS A 9 -2.518 49.385 -4.614 1.00 0.00 H new ATOM 0 HA HIS A 9 -2.513 48.186 -7.165 1.00 0.00 H new ATOM 0 HB2 HIS A 9 0.046 48.483 -6.480 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -0.279 47.084 -5.476 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -1.687 47.473 -9.151 1.00 0.00 H new ATOM 0 HE1 HIS A 9 0.961 44.162 -9.020 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -0.680 45.461 -10.468 1.00 0.00 H new ATOM 102 N HIS A 10 -3.406 46.077 -6.078 1.00 0.00 N ATOM 103 CA HIS A 10 -4.183 45.029 -5.427 1.00 0.00 C ATOM 104 C HIS A 10 -4.634 43.979 -6.438 1.00 0.00 C ATOM 105 O HIS A 10 -4.448 44.144 -7.644 1.00 0.00 O ATOM 106 CB HIS A 10 -5.400 45.631 -4.722 1.00 0.00 C ATOM 107 CG HIS A 10 -5.861 44.836 -3.539 1.00 0.00 C ATOM 108 ND1 HIS A 10 -5.058 44.577 -2.448 1.00 0.00 N ATOM 109 CD2 HIS A 10 -7.049 44.243 -3.280 1.00 0.00 C ATOM 110 CE1 HIS A 10 -5.733 43.858 -1.569 1.00 0.00 C ATOM 111 NE2 HIS A 10 -6.945 43.642 -2.049 1.00 0.00 N ATOM 0 H HIS A 10 -3.352 45.993 -7.093 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.546 44.545 -4.687 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.158 46.643 -4.397 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.220 45.713 -5.436 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.918 44.242 -3.922 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.358 43.506 -0.619 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.683 43.115 -1.582 1.00 0.00 H new ATOM 119 N LEU A 11 -5.226 42.900 -5.938 1.00 0.00 N ATOM 120 CA LEU A 11 -5.703 41.822 -6.798 1.00 0.00 C ATOM 121 C LEU A 11 -6.957 41.177 -6.218 1.00 0.00 C ATOM 122 O LEU A 11 -7.033 40.867 -5.029 1.00 0.00 O ATOM 123 CB LEU A 11 -4.610 40.766 -6.979 1.00 0.00 C ATOM 124 CG LEU A 11 -4.734 39.878 -8.217 1.00 0.00 C ATOM 125 CD1 LEU A 11 -4.375 40.659 -9.472 1.00 0.00 C ATOM 126 CD2 LEU A 11 -3.850 38.647 -8.081 1.00 0.00 C ATOM 0 H LEU A 11 -5.387 42.748 -4.942 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.952 42.249 -7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.646 41.273 -7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.601 40.126 -6.097 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.770 39.549 -8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.469 40.011 -10.343 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.050 41.509 -9.577 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.349 41.018 -9.396 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.951 38.026 -8.971 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.811 38.956 -7.970 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.154 38.076 -7.204 1.00 0.00 H new ATOM 138 N PRO A 12 -7.967 40.968 -7.076 1.00 0.00 N ATOM 139 CA PRO A 12 -9.236 40.356 -6.672 1.00 0.00 C ATOM 140 C PRO A 12 -9.085 38.876 -6.337 1.00 0.00 C ATOM 141 O PRO A 12 -8.607 38.078 -7.144 1.00 0.00 O ATOM 142 CB PRO A 12 -10.125 40.537 -7.905 1.00 0.00 C ATOM 143 CG PRO A 12 -9.174 40.634 -9.047 1.00 0.00 C ATOM 144 CD PRO A 12 -7.946 41.314 -8.508 1.00 0.00 C ATOM 0 HA PRO A 12 -9.639 40.812 -5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.807 39.696 -8.028 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.738 41.435 -7.823 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.933 39.646 -9.439 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.607 41.205 -9.868 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.040 40.954 -8.996 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.983 42.392 -8.662 1.00 0.00 H new ATOM 152 N PRO A 13 -9.500 38.499 -5.119 1.00 0.00 N ATOM 153 CA PRO A 13 -9.422 37.112 -4.651 1.00 0.00 C ATOM 154 C PRO A 13 -10.404 36.198 -5.376 1.00 0.00 C ATOM 155 O PRO A 13 -11.402 36.659 -5.931 1.00 0.00 O ATOM 156 CB PRO A 13 -9.786 37.218 -3.167 1.00 0.00 C ATOM 157 CG PRO A 13 -10.617 38.450 -3.068 1.00 0.00 C ATOM 158 CD PRO A 13 -10.080 39.397 -4.106 1.00 0.00 C ATOM 0 HA PRO A 13 -8.440 36.675 -4.834 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.338 36.340 -2.831 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.894 37.291 -2.545 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.668 38.227 -3.250 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.551 38.886 -2.071 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.868 40.021 -4.527 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.330 40.069 -3.688 1.00 0.00 H new ATOM 166 N VAL A 14 -10.115 34.901 -5.368 1.00 0.00 N ATOM 167 CA VAL A 14 -10.973 33.922 -6.024 1.00 0.00 C ATOM 168 C VAL A 14 -11.212 32.712 -5.128 1.00 0.00 C ATOM 169 O VAL A 14 -10.386 31.802 -5.061 1.00 0.00 O ATOM 170 CB VAL A 14 -10.366 33.447 -7.358 1.00 0.00 C ATOM 171 CG1 VAL A 14 -11.252 32.392 -8.002 1.00 0.00 C ATOM 172 CG2 VAL A 14 -10.157 34.626 -8.297 1.00 0.00 C ATOM 0 H VAL A 14 -9.293 34.504 -4.914 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.924 34.417 -6.222 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.394 32.996 -7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.807 32.069 -8.943 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.346 31.537 -7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.239 32.813 -8.193 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.728 34.273 -9.235 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.115 35.108 -8.495 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.479 35.343 -7.835 1.00 0.00 H new ATOM 182 N LYS A 15 -12.349 32.708 -4.440 1.00 0.00 N ATOM 183 CA LYS A 15 -12.700 31.609 -3.548 1.00 0.00 C ATOM 184 C LYS A 15 -13.945 30.881 -4.046 1.00 0.00 C ATOM 185 O LYS A 15 -14.991 31.493 -4.258 1.00 0.00 O ATOM 186 CB LYS A 15 -12.936 32.133 -2.129 1.00 0.00 C ATOM 187 CG LYS A 15 -11.681 32.669 -1.463 1.00 0.00 C ATOM 188 CD LYS A 15 -12.015 33.649 -0.351 1.00 0.00 C ATOM 189 CE LYS A 15 -10.846 33.828 0.605 1.00 0.00 C ATOM 190 NZ LYS A 15 -9.789 34.706 0.030 1.00 0.00 N ATOM 0 H LYS A 15 -13.043 33.454 -4.483 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.869 30.904 -3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.686 32.924 -2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.347 31.330 -1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.101 31.840 -1.057 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.055 33.161 -2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.284 34.613 -0.783 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.885 33.293 0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.205 34.256 1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.419 32.854 0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.010 34.803 0.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.429 34.285 -0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.190 35.644 -0.174 1.00 0.00 H new ATOM 204 N ALA A 16 -13.824 29.570 -4.228 1.00 0.00 N ATOM 205 CA ALA A 16 -14.940 28.758 -4.697 1.00 0.00 C ATOM 206 C ALA A 16 -15.600 28.013 -3.542 1.00 0.00 C ATOM 207 O ALA A 16 -14.936 27.396 -2.709 1.00 0.00 O ATOM 208 CB ALA A 16 -14.468 27.776 -5.760 1.00 0.00 C ATOM 0 H ALA A 16 -12.964 29.048 -4.058 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.682 29.424 -5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.312 27.176 -6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.049 28.326 -6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.705 27.122 -5.338 1.00 0.00 H new ATOM 214 N PRO A 17 -16.939 28.071 -3.488 1.00 0.00 N ATOM 215 CA PRO A 17 -17.719 27.408 -2.439 1.00 0.00 C ATOM 216 C PRO A 17 -17.692 25.889 -2.570 1.00 0.00 C ATOM 217 O PRO A 17 -17.911 25.345 -3.653 1.00 0.00 O ATOM 218 CB PRO A 17 -19.137 27.939 -2.661 1.00 0.00 C ATOM 219 CG PRO A 17 -19.180 28.314 -4.102 1.00 0.00 C ATOM 220 CD PRO A 17 -17.795 28.789 -4.448 1.00 0.00 C ATOM 0 HA PRO A 17 -17.323 27.615 -1.445 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -19.885 27.181 -2.427 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.343 28.798 -2.022 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -19.466 27.462 -4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -19.917 29.097 -4.280 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -17.533 28.548 -5.478 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -17.702 29.870 -4.340 1.00 0.00 H new ATOM 228 N LEU A 18 -17.424 25.209 -1.460 1.00 0.00 N ATOM 229 CA LEU A 18 -17.369 23.751 -1.451 1.00 0.00 C ATOM 230 C LEU A 18 -18.051 23.189 -0.208 1.00 0.00 C ATOM 231 O LEU A 18 -18.447 23.937 0.686 1.00 0.00 O ATOM 232 CB LEU A 18 -15.917 23.275 -1.510 1.00 0.00 C ATOM 233 CG LEU A 18 -15.274 23.249 -2.897 1.00 0.00 C ATOM 234 CD1 LEU A 18 -13.780 22.990 -2.789 1.00 0.00 C ATOM 235 CD2 LEU A 18 -15.938 22.196 -3.772 1.00 0.00 C ATOM 0 H LEU A 18 -17.242 25.644 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 18 -17.900 23.386 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.318 23.919 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -15.868 22.270 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 18 -15.419 24.224 -3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.340 22.975 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.315 23.780 -2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.612 22.029 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -15.468 22.191 -4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -15.824 21.215 -3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -16.998 22.426 -3.878 1.00 0.00 H new ATOM 247 N GLN A 19 -18.182 21.867 -0.158 1.00 0.00 N ATOM 248 CA GLN A 19 -18.814 21.205 0.977 1.00 0.00 C ATOM 249 C GLN A 19 -17.783 20.456 1.814 1.00 0.00 C ATOM 250 O GLN A 19 -16.643 20.263 1.389 1.00 0.00 O ATOM 251 CB GLN A 19 -19.895 20.237 0.492 1.00 0.00 C ATOM 252 CG GLN A 19 -21.051 20.922 -0.218 1.00 0.00 C ATOM 253 CD GLN A 19 -22.315 20.085 -0.219 1.00 0.00 C ATOM 254 OE1 GLN A 19 -22.259 18.857 -0.286 1.00 0.00 O ATOM 255 NE2 GLN A 19 -23.464 20.746 -0.143 1.00 0.00 N ATOM 0 H GLN A 19 -17.859 21.234 -0.890 1.00 0.00 H new ATOM 0 HA GLN A 19 -19.275 21.971 1.601 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -19.444 19.511 -0.184 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -20.282 19.681 1.346 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -21.253 21.878 0.265 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -20.763 21.139 -1.247 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -23.464 21.765 -0.089 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -24.347 20.235 -0.139 1.00 0.00 H new ATOM 264 N THR A 20 -18.189 20.037 3.009 1.00 0.00 N ATOM 265 CA THR A 20 -17.300 19.310 3.907 1.00 0.00 C ATOM 266 C THR A 20 -17.469 17.804 3.747 1.00 0.00 C ATOM 267 O THR A 20 -17.456 17.060 4.728 1.00 0.00 O ATOM 268 CB THR A 20 -17.554 19.691 5.378 1.00 0.00 C ATOM 269 OG1 THR A 20 -17.603 21.116 5.514 1.00 0.00 O ATOM 270 CG2 THR A 20 -16.465 19.127 6.278 1.00 0.00 C ATOM 0 H THR A 20 -19.128 20.189 3.377 1.00 0.00 H new ATOM 0 HA THR A 20 -16.281 19.589 3.638 1.00 0.00 H new ATOM 0 HB THR A 20 -18.511 19.265 5.681 1.00 0.00 H new ATOM 0 HG1 THR A 20 -17.767 21.350 6.452 1.00 0.00 H new ATOM 0 HG21 THR A 20 -16.665 19.409 7.312 1.00 0.00 H new ATOM 0 HG22 THR A 20 -16.450 18.040 6.194 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.498 19.527 5.974 1.00 0.00 H new ATOM 278 N LYS A 21 -17.626 17.359 2.505 1.00 0.00 N ATOM 279 CA LYS A 21 -17.795 15.940 2.216 1.00 0.00 C ATOM 280 C LYS A 21 -16.899 15.510 1.058 1.00 0.00 C ATOM 281 O LYS A 21 -16.672 16.274 0.119 1.00 0.00 O ATOM 282 CB LYS A 21 -19.257 15.637 1.883 1.00 0.00 C ATOM 283 CG LYS A 21 -20.205 15.859 3.049 1.00 0.00 C ATOM 284 CD LYS A 21 -20.162 14.701 4.032 1.00 0.00 C ATOM 285 CE LYS A 21 -20.879 13.477 3.482 1.00 0.00 C ATOM 286 NZ LYS A 21 -20.749 12.304 4.390 1.00 0.00 N ATOM 0 H LYS A 21 -17.640 17.961 1.682 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.507 15.377 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -19.568 16.265 1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -19.338 14.602 1.551 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.941 16.783 3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -21.221 15.982 2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -19.125 14.448 4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.624 15.003 4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -21.934 13.709 3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -20.470 13.226 2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -21.251 11.490 3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -19.743 12.067 4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -21.162 12.535 5.316 1.00 0.00 H new ATOM 300 N LYS A 22 -16.395 14.283 1.130 1.00 0.00 N ATOM 301 CA LYS A 22 -15.527 13.750 0.086 1.00 0.00 C ATOM 302 C LYS A 22 -15.492 12.226 0.134 1.00 0.00 C ATOM 303 O LYS A 22 -15.457 11.628 1.210 1.00 0.00 O ATOM 304 CB LYS A 22 -14.110 14.308 0.239 1.00 0.00 C ATOM 305 CG LYS A 22 -13.349 13.723 1.416 1.00 0.00 C ATOM 306 CD LYS A 22 -11.910 14.211 1.448 1.00 0.00 C ATOM 307 CE LYS A 22 -11.805 15.597 2.065 1.00 0.00 C ATOM 308 NZ LYS A 22 -10.414 16.125 2.008 1.00 0.00 N ATOM 0 H LYS A 22 -16.573 13.639 1.900 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.930 14.057 -0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.551 14.114 -0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.165 15.390 0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.848 13.997 2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.364 12.635 1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.300 13.511 2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.509 14.231 0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.474 16.279 1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.137 15.559 3.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.384 17.071 2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.779 15.487 2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.106 16.186 1.016 1.00 0.00 H new ATOM 322 N LYS A 23 -15.500 11.602 -1.039 1.00 0.00 N ATOM 323 CA LYS A 23 -15.466 10.147 -1.132 1.00 0.00 C ATOM 324 C LYS A 23 -14.037 9.646 -1.316 1.00 0.00 C ATOM 325 O LYS A 23 -13.428 9.851 -2.366 1.00 0.00 O ATOM 326 CB LYS A 23 -16.338 9.670 -2.296 1.00 0.00 C ATOM 327 CG LYS A 23 -17.828 9.821 -2.042 1.00 0.00 C ATOM 328 CD LYS A 23 -18.637 8.828 -2.859 1.00 0.00 C ATOM 329 CE LYS A 23 -20.082 9.277 -3.012 1.00 0.00 C ATOM 330 NZ LYS A 23 -20.269 10.147 -4.206 1.00 0.00 N ATOM 0 H LYS A 23 -15.530 12.081 -1.939 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.858 9.739 -0.200 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -16.072 10.231 -3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -16.117 8.622 -2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -18.034 9.674 -0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.139 10.836 -2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.185 8.712 -3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -18.608 7.850 -2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -20.727 8.402 -3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.391 9.817 -2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.267 10.432 -4.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.673 10.994 -4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.998 9.623 -5.063 1.00 0.00 H new ATOM 344 N ILE A 24 -13.509 8.989 -0.288 1.00 0.00 N ATOM 345 CA ILE A 24 -12.153 8.458 -0.338 1.00 0.00 C ATOM 346 C ILE A 24 -11.868 7.804 -1.686 1.00 0.00 C ATOM 347 O ILE A 24 -12.685 7.043 -2.203 1.00 0.00 O ATOM 348 CB ILE A 24 -11.911 7.428 0.781 1.00 0.00 C ATOM 349 CG1 ILE A 24 -12.136 8.068 2.152 1.00 0.00 C ATOM 350 CG2 ILE A 24 -10.503 6.858 0.681 1.00 0.00 C ATOM 351 CD1 ILE A 24 -12.391 7.064 3.254 1.00 0.00 C ATOM 0 H ILE A 24 -14.000 8.812 0.589 1.00 0.00 H new ATOM 0 HA ILE A 24 -11.478 9.302 -0.197 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.623 6.611 0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.263 8.667 2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.984 8.751 2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.347 6.132 1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -10.376 6.369 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.776 7.665 0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.542 7.589 4.197 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.281 6.482 3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.534 6.396 3.343 1.00 0.00 H new ATOM 363 N MET A 25 -10.702 8.106 -2.249 1.00 0.00 N ATOM 364 CA MET A 25 -10.307 7.545 -3.536 1.00 0.00 C ATOM 365 C MET A 25 -8.792 7.393 -3.621 1.00 0.00 C ATOM 366 O MET A 25 -8.045 8.213 -3.087 1.00 0.00 O ATOM 367 CB MET A 25 -10.808 8.431 -4.678 1.00 0.00 C ATOM 368 CG MET A 25 -10.306 9.864 -4.600 1.00 0.00 C ATOM 369 SD MET A 25 -10.672 10.810 -6.090 1.00 0.00 S ATOM 370 CE MET A 25 -12.450 10.977 -5.958 1.00 0.00 C ATOM 0 H MET A 25 -10.015 8.736 -1.834 1.00 0.00 H new ATOM 0 HA MET A 25 -10.759 6.557 -3.628 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.496 7.997 -5.628 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.898 8.436 -4.672 1.00 0.00 H new ATOM 0 HG2 MET A 25 -10.760 10.357 -3.740 1.00 0.00 H new ATOM 0 HG3 MET A 25 -9.229 9.859 -4.433 1.00 0.00 H new ATOM 0 HE1 MET A 25 -12.812 11.644 -6.740 1.00 0.00 H new ATOM 0 HE2 MET A 25 -12.917 9.999 -6.071 1.00 0.00 H new ATOM 0 HE3 MET A 25 -12.705 11.390 -4.982 1.00 0.00 H new ATOM 380 N LYS A 26 -8.344 6.340 -4.295 1.00 0.00 N ATOM 381 CA LYS A 26 -6.918 6.081 -4.452 1.00 0.00 C ATOM 382 C LYS A 26 -6.618 5.502 -5.831 1.00 0.00 C ATOM 383 O LYS A 26 -7.528 5.108 -6.561 1.00 0.00 O ATOM 384 CB LYS A 26 -6.431 5.117 -3.367 1.00 0.00 C ATOM 385 CG LYS A 26 -6.151 5.792 -2.035 1.00 0.00 C ATOM 386 CD LYS A 26 -6.038 4.779 -0.909 1.00 0.00 C ATOM 387 CE LYS A 26 -5.561 5.429 0.380 1.00 0.00 C ATOM 388 NZ LYS A 26 -4.797 4.476 1.233 1.00 0.00 N ATOM 0 H LYS A 26 -8.949 5.651 -4.742 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.390 7.029 -4.352 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.181 4.340 -3.220 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.523 4.623 -3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.226 6.365 -2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.949 6.500 -1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.007 4.308 -0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.345 3.989 -1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.933 6.288 0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.420 5.806 0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.490 4.958 2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.404 3.669 1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.963 4.136 0.712 1.00 0.00 H new ATOM 402 N HIS A 27 -5.337 5.454 -6.182 1.00 0.00 N ATOM 403 CA HIS A 27 -4.917 4.921 -7.473 1.00 0.00 C ATOM 404 C HIS A 27 -3.398 4.792 -7.540 1.00 0.00 C ATOM 405 O HIS A 27 -2.670 5.608 -6.974 1.00 0.00 O ATOM 406 CB HIS A 27 -5.415 5.820 -8.605 1.00 0.00 C ATOM 407 CG HIS A 27 -5.251 7.282 -8.325 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.298 8.101 -7.957 1.00 0.00 N ATOM 409 CD2 HIS A 27 -4.152 8.072 -8.359 1.00 0.00 C ATOM 410 CE1 HIS A 27 -5.851 9.331 -7.779 1.00 0.00 C ATOM 411 NE2 HIS A 27 -4.552 9.341 -8.016 1.00 0.00 N ATOM 0 H HIS A 27 -4.572 5.778 -5.590 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.353 3.929 -7.588 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.876 5.571 -9.519 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.469 5.610 -8.788 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.148 7.762 -8.609 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.447 10.184 -7.489 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.944 10.158 -7.954 1.00 0.00 H new ATOM 419 N CYS A 28 -2.927 3.762 -8.235 1.00 0.00 N ATOM 420 CA CYS A 28 -1.496 3.525 -8.376 1.00 0.00 C ATOM 421 C CYS A 28 -0.744 4.837 -8.583 1.00 0.00 C ATOM 422 O CYS A 28 -1.234 5.746 -9.254 1.00 0.00 O ATOM 423 CB CYS A 28 -1.227 2.580 -9.549 1.00 0.00 C ATOM 424 SG CYS A 28 0.520 2.093 -9.726 1.00 0.00 S ATOM 0 H CYS A 28 -3.516 3.078 -8.710 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.138 3.063 -7.456 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.833 1.682 -9.425 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.554 3.060 -10.471 1.00 0.00 H new ATOM 429 N PHE A 29 0.447 4.928 -8.002 1.00 0.00 N ATOM 430 CA PHE A 29 1.267 6.129 -8.122 1.00 0.00 C ATOM 431 C PHE A 29 2.196 6.035 -9.328 1.00 0.00 C ATOM 432 O PHE A 29 2.682 7.048 -9.833 1.00 0.00 O ATOM 433 CB PHE A 29 2.086 6.342 -6.848 1.00 0.00 C ATOM 434 CG PHE A 29 3.024 7.512 -6.927 1.00 0.00 C ATOM 435 CD1 PHE A 29 2.540 8.809 -6.877 1.00 0.00 C ATOM 436 CD2 PHE A 29 4.390 7.315 -7.051 1.00 0.00 C ATOM 437 CE1 PHE A 29 3.402 9.888 -6.950 1.00 0.00 C ATOM 438 CE2 PHE A 29 5.256 8.389 -7.125 1.00 0.00 C ATOM 439 CZ PHE A 29 4.761 9.677 -7.073 1.00 0.00 C ATOM 0 H PHE A 29 0.867 4.185 -7.443 1.00 0.00 H new ATOM 0 HA PHE A 29 0.602 6.980 -8.264 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.406 6.488 -6.009 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.660 5.439 -6.640 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.478 8.979 -6.780 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.783 6.310 -7.090 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.013 10.895 -6.911 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.318 8.221 -7.223 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.436 10.518 -7.128 1.00 0.00 H new ATOM 449 N LEU A 30 2.440 4.811 -9.786 1.00 0.00 N ATOM 450 CA LEU A 30 3.312 4.583 -10.933 1.00 0.00 C ATOM 451 C LEU A 30 2.580 4.872 -12.239 1.00 0.00 C ATOM 452 O LEU A 30 2.855 5.867 -12.910 1.00 0.00 O ATOM 453 CB LEU A 30 3.824 3.142 -10.930 1.00 0.00 C ATOM 454 CG LEU A 30 4.879 2.802 -11.984 1.00 0.00 C ATOM 455 CD1 LEU A 30 6.226 3.397 -11.602 1.00 0.00 C ATOM 456 CD2 LEU A 30 4.990 1.295 -12.161 1.00 0.00 C ATOM 0 H LEU A 30 2.046 3.962 -9.380 1.00 0.00 H new ATOM 0 HA LEU A 30 4.160 5.264 -10.855 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.240 2.928 -9.946 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.973 2.475 -11.068 1.00 0.00 H new ATOM 0 HG LEU A 30 4.569 3.237 -12.934 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.964 3.145 -12.363 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.137 4.481 -11.528 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.543 2.992 -10.641 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.745 1.072 -12.915 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.276 0.838 -11.214 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.028 0.894 -12.481 1.00 0.00 H new ATOM 468 N CYS A 31 1.645 3.997 -12.594 1.00 0.00 N ATOM 469 CA CYS A 31 0.872 4.158 -13.819 1.00 0.00 C ATOM 470 C CYS A 31 -0.272 5.147 -13.614 1.00 0.00 C ATOM 471 O CYS A 31 -0.468 6.060 -14.414 1.00 0.00 O ATOM 472 CB CYS A 31 0.317 2.808 -14.278 1.00 0.00 C ATOM 473 SG CYS A 31 -0.765 1.995 -13.058 1.00 0.00 S ATOM 0 H CYS A 31 1.404 3.169 -12.050 1.00 0.00 H new ATOM 0 HA CYS A 31 1.536 4.551 -14.589 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.241 2.952 -15.203 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.150 2.144 -14.508 1.00 0.00 H new ATOM 478 N GLY A 32 -1.025 4.957 -12.534 1.00 0.00 N ATOM 479 CA GLY A 32 -2.140 5.840 -12.243 1.00 0.00 C ATOM 480 C GLY A 32 -3.479 5.142 -12.366 1.00 0.00 C ATOM 481 O GLY A 32 -4.506 5.785 -12.585 1.00 0.00 O ATOM 0 H GLY A 32 -0.883 4.208 -11.856 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.032 6.236 -11.233 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.113 6.691 -12.924 1.00 0.00 H new ATOM 485 N LYS A 33 -3.471 3.820 -12.227 1.00 0.00 N ATOM 486 CA LYS A 33 -4.694 3.033 -12.324 1.00 0.00 C ATOM 487 C LYS A 33 -5.455 3.044 -11.002 1.00 0.00 C ATOM 488 O LYS A 33 -4.854 3.052 -9.928 1.00 0.00 O ATOM 489 CB LYS A 33 -4.368 1.592 -12.725 1.00 0.00 C ATOM 490 CG LYS A 33 -5.531 0.632 -12.546 1.00 0.00 C ATOM 491 CD LYS A 33 -5.074 -0.815 -12.610 1.00 0.00 C ATOM 492 CE LYS A 33 -4.887 -1.277 -14.047 1.00 0.00 C ATOM 493 NZ LYS A 33 -3.551 -0.896 -14.583 1.00 0.00 N ATOM 0 H LYS A 33 -2.630 3.271 -12.047 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.325 3.483 -13.090 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.053 1.577 -13.768 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.524 1.241 -12.132 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.015 0.820 -11.587 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.276 0.814 -13.320 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.136 -0.926 -12.066 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.807 -1.452 -12.114 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.004 -2.360 -14.098 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.667 -0.842 -14.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.671 -0.229 -15.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.991 -0.446 -13.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.057 -1.747 -14.921 1.00 0.00 H new ATOM 507 N LYS A 34 -6.781 3.042 -11.088 1.00 0.00 N ATOM 508 CA LYS A 34 -7.625 3.049 -9.899 1.00 0.00 C ATOM 509 C LYS A 34 -7.281 1.880 -8.981 1.00 0.00 C ATOM 510 O LYS A 34 -6.854 0.821 -9.440 1.00 0.00 O ATOM 511 CB LYS A 34 -9.102 2.981 -10.296 1.00 0.00 C ATOM 512 CG LYS A 34 -9.414 1.875 -11.290 1.00 0.00 C ATOM 513 CD LYS A 34 -9.795 0.584 -10.585 1.00 0.00 C ATOM 514 CE LYS A 34 -11.294 0.502 -10.342 1.00 0.00 C ATOM 515 NZ LYS A 34 -11.652 -0.645 -9.463 1.00 0.00 N ATOM 0 H LYS A 34 -7.295 3.036 -11.969 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.442 3.978 -9.360 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.704 2.833 -9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.399 3.938 -10.725 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.229 2.189 -11.942 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.546 1.701 -11.926 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.476 -0.268 -11.186 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.267 0.519 -9.634 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.639 1.430 -9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.812 0.404 -11.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.682 -0.666 -9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.346 -1.533 -9.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.179 -0.538 -8.543 1.00 0.00 H new ATOM 529 N THR A 35 -7.471 2.080 -7.680 1.00 0.00 N ATOM 530 CA THR A 35 -7.181 1.044 -6.697 1.00 0.00 C ATOM 531 C THR A 35 -8.153 1.110 -5.525 1.00 0.00 C ATOM 532 O THR A 35 -8.243 2.126 -4.837 1.00 0.00 O ATOM 533 CB THR A 35 -5.741 1.163 -6.163 1.00 0.00 C ATOM 534 OG1 THR A 35 -5.451 2.527 -5.837 1.00 0.00 O ATOM 535 CG2 THR A 35 -4.739 0.659 -7.190 1.00 0.00 C ATOM 0 H THR A 35 -7.825 2.951 -7.283 1.00 0.00 H new ATOM 0 HA THR A 35 -7.294 0.086 -7.205 1.00 0.00 H new ATOM 0 HB THR A 35 -5.658 0.549 -5.266 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.188 2.901 -5.310 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.729 0.753 -6.790 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.944 -0.388 -7.415 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.824 1.250 -8.102 1.00 0.00 H new ATOM 543 N GLY A 36 -8.879 0.019 -5.302 1.00 0.00 N ATOM 544 CA GLY A 36 -9.835 -0.026 -4.211 1.00 0.00 C ATOM 545 C GLY A 36 -10.190 -1.443 -3.808 1.00 0.00 C ATOM 546 O GLY A 36 -9.862 -1.884 -2.706 1.00 0.00 O ATOM 0 H GLY A 36 -8.822 -0.835 -5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.424 0.501 -3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.742 0.503 -4.505 1.00 0.00 H new ATOM 550 N LEU A 37 -10.863 -2.159 -4.702 1.00 0.00 N ATOM 551 CA LEU A 37 -11.265 -3.536 -4.434 1.00 0.00 C ATOM 552 C LEU A 37 -10.069 -4.479 -4.523 1.00 0.00 C ATOM 553 O LEU A 37 -9.691 -4.917 -5.609 1.00 0.00 O ATOM 554 CB LEU A 37 -12.349 -3.973 -5.421 1.00 0.00 C ATOM 555 CG LEU A 37 -13.791 -3.687 -5.004 1.00 0.00 C ATOM 556 CD1 LEU A 37 -14.231 -2.320 -5.505 1.00 0.00 C ATOM 557 CD2 LEU A 37 -14.723 -4.772 -5.524 1.00 0.00 C ATOM 0 H LEU A 37 -11.142 -1.809 -5.619 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.665 -3.581 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.163 -3.480 -6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.247 -5.045 -5.591 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.839 -3.686 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.260 -2.134 -5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.582 -1.552 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.166 -2.293 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.745 -4.551 -5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.670 -4.806 -6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.422 -5.737 -5.116 1.00 0.00 H new ATOM 569 N ALA A 38 -9.480 -4.790 -3.373 1.00 0.00 N ATOM 570 CA ALA A 38 -8.331 -5.684 -3.321 1.00 0.00 C ATOM 571 C ALA A 38 -7.339 -5.369 -4.435 1.00 0.00 C ATOM 572 O ALA A 38 -6.824 -6.272 -5.097 1.00 0.00 O ATOM 573 CB ALA A 38 -8.786 -7.134 -3.411 1.00 0.00 C ATOM 0 H ALA A 38 -9.780 -4.436 -2.465 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.826 -5.531 -2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.917 -7.791 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.450 -7.359 -2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.317 -7.291 -4.350 1.00 0.00 H new ATOM 579 N THR A 39 -7.074 -4.083 -4.639 1.00 0.00 N ATOM 580 CA THR A 39 -6.145 -3.648 -5.675 1.00 0.00 C ATOM 581 C THR A 39 -5.106 -2.684 -5.113 1.00 0.00 C ATOM 582 O THR A 39 -3.971 -2.634 -5.586 1.00 0.00 O ATOM 583 CB THR A 39 -6.883 -2.967 -6.842 1.00 0.00 C ATOM 584 OG1 THR A 39 -8.004 -3.762 -7.244 1.00 0.00 O ATOM 585 CG2 THR A 39 -5.950 -2.761 -8.026 1.00 0.00 C ATOM 0 H THR A 39 -7.490 -3.323 -4.100 1.00 0.00 H new ATOM 0 HA THR A 39 -5.644 -4.542 -6.045 1.00 0.00 H new ATOM 0 HB THR A 39 -7.233 -1.992 -6.502 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.609 -3.883 -6.483 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.494 -2.278 -8.838 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.113 -2.131 -7.725 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.573 -3.726 -8.365 1.00 0.00 H new ATOM 593 N SER A 40 -5.502 -1.920 -4.100 1.00 0.00 N ATOM 594 CA SER A 40 -4.606 -0.954 -3.475 1.00 0.00 C ATOM 595 C SER A 40 -3.677 -1.641 -2.478 1.00 0.00 C ATOM 596 O SER A 40 -4.118 -2.434 -1.646 1.00 0.00 O ATOM 597 CB SER A 40 -5.411 0.139 -2.770 1.00 0.00 C ATOM 598 OG SER A 40 -4.650 1.326 -2.634 1.00 0.00 O ATOM 0 H SER A 40 -6.437 -1.951 -3.695 1.00 0.00 H new ATOM 0 HA SER A 40 -3.999 -0.500 -4.258 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.319 0.348 -3.336 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.722 -0.212 -1.786 1.00 0.00 H new ATOM 0 HG SER A 40 -5.188 2.009 -2.182 1.00 0.00 H new ATOM 604 N PHE A 41 -2.389 -1.329 -2.568 1.00 0.00 N ATOM 605 CA PHE A 41 -1.396 -1.916 -1.676 1.00 0.00 C ATOM 606 C PHE A 41 -0.410 -0.859 -1.189 1.00 0.00 C ATOM 607 O PHE A 41 -0.183 0.148 -1.859 1.00 0.00 O ATOM 608 CB PHE A 41 -0.643 -3.043 -2.386 1.00 0.00 C ATOM 609 CG PHE A 41 -1.529 -4.178 -2.816 1.00 0.00 C ATOM 610 CD1 PHE A 41 -1.956 -5.126 -1.901 1.00 0.00 C ATOM 611 CD2 PHE A 41 -1.934 -4.296 -4.136 1.00 0.00 C ATOM 612 CE1 PHE A 41 -2.772 -6.171 -2.293 1.00 0.00 C ATOM 613 CE2 PHE A 41 -2.750 -5.338 -4.534 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.168 -6.277 -3.611 1.00 0.00 C ATOM 0 H PHE A 41 -2.008 -0.673 -3.250 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.919 -2.326 -0.812 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.137 -2.636 -3.261 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.130 -3.428 -1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.648 -5.048 -0.869 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.608 -3.566 -4.862 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.099 -6.903 -1.569 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.060 -5.418 -5.565 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.804 -7.093 -3.920 1.00 0.00 H new ATOM 624 N GLU A 42 0.173 -1.096 -0.018 1.00 0.00 N ATOM 625 CA GLU A 42 1.134 -0.163 0.559 1.00 0.00 C ATOM 626 C GLU A 42 2.545 -0.744 0.523 1.00 0.00 C ATOM 627 O GLU A 42 2.758 -1.908 0.863 1.00 0.00 O ATOM 628 CB GLU A 42 0.747 0.176 2.000 1.00 0.00 C ATOM 629 CG GLU A 42 1.591 1.280 2.614 1.00 0.00 C ATOM 630 CD GLU A 42 1.134 1.657 4.009 1.00 0.00 C ATOM 631 OE1 GLU A 42 0.472 0.823 4.662 1.00 0.00 O ATOM 632 OE2 GLU A 42 1.438 2.786 4.449 1.00 0.00 O ATOM 0 H GLU A 42 -0.003 -1.925 0.549 1.00 0.00 H new ATOM 0 HA GLU A 42 1.120 0.749 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.301 0.475 2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.837 -0.721 2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.632 0.958 2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.553 2.161 1.973 1.00 0.00 H new ATOM 639 N CYS A 43 3.505 0.075 0.108 1.00 0.00 N ATOM 640 CA CYS A 43 4.896 -0.355 0.026 1.00 0.00 C ATOM 641 C CYS A 43 5.718 0.242 1.164 1.00 0.00 C ATOM 642 O CYS A 43 5.301 1.206 1.806 1.00 0.00 O ATOM 643 CB CYS A 43 5.498 0.051 -1.321 1.00 0.00 C ATOM 644 SG CYS A 43 7.129 -0.687 -1.659 1.00 0.00 S ATOM 0 H CYS A 43 3.345 1.041 -0.177 1.00 0.00 H new ATOM 0 HA CYS A 43 4.921 -1.441 0.115 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.810 -0.236 -2.116 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.588 1.137 -1.354 1.00 0.00 H new ATOM 649 N ARG A 44 6.888 -0.338 1.409 1.00 0.00 N ATOM 650 CA ARG A 44 7.769 0.135 2.470 1.00 0.00 C ATOM 651 C ARG A 44 8.079 1.619 2.297 1.00 0.00 C ATOM 652 O ARG A 44 8.250 2.347 3.276 1.00 0.00 O ATOM 653 CB ARG A 44 9.069 -0.671 2.480 1.00 0.00 C ATOM 654 CG ARG A 44 9.059 -1.831 3.461 1.00 0.00 C ATOM 655 CD ARG A 44 9.843 -3.020 2.927 1.00 0.00 C ATOM 656 NE ARG A 44 10.503 -3.765 3.995 1.00 0.00 N ATOM 657 CZ ARG A 44 10.823 -5.051 3.905 1.00 0.00 C ATOM 658 NH1 ARG A 44 10.545 -5.731 2.801 1.00 0.00 N ATOM 659 NH2 ARG A 44 11.422 -5.660 4.920 1.00 0.00 N ATOM 0 H ARG A 44 7.248 -1.137 0.887 1.00 0.00 H new ATOM 0 HA ARG A 44 7.257 -0.003 3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.256 -1.056 1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.897 -0.006 2.725 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.486 -1.509 4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.030 -2.132 3.660 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.170 -3.684 2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.590 -2.671 2.214 1.00 0.00 H new ATOM 0 HE ARG A 44 10.731 -3.271 4.858 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.084 -5.267 2.018 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.792 -6.718 2.734 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.637 -5.141 5.771 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.667 -6.648 4.849 1.00 0.00 H new ATOM 673 N CYS A 45 8.151 2.062 1.046 1.00 0.00 N ATOM 674 CA CYS A 45 8.441 3.458 0.744 1.00 0.00 C ATOM 675 C CYS A 45 7.271 4.355 1.139 1.00 0.00 C ATOM 676 O CYS A 45 7.465 5.451 1.663 1.00 0.00 O ATOM 677 CB CYS A 45 8.747 3.627 -0.745 1.00 0.00 C ATOM 678 SG CYS A 45 7.408 3.066 -1.847 1.00 0.00 S ATOM 0 H CYS A 45 8.012 1.473 0.225 1.00 0.00 H new ATOM 0 HA CYS A 45 9.315 3.755 1.324 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.952 4.679 -0.946 1.00 0.00 H new ATOM 0 HB3 CYS A 45 9.655 3.074 -0.984 1.00 0.00 H new ATOM 683 N GLY A 46 6.056 3.880 0.884 1.00 0.00 N ATOM 684 CA GLY A 46 4.873 4.651 1.219 1.00 0.00 C ATOM 685 C GLY A 46 4.108 5.102 -0.009 1.00 0.00 C ATOM 686 O GLY A 46 3.469 6.153 0.001 1.00 0.00 O ATOM 0 H GLY A 46 5.870 2.975 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.219 4.050 1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.165 5.524 1.802 1.00 0.00 H new ATOM 690 N ASN A 47 4.174 4.306 -1.071 1.00 0.00 N ATOM 691 CA ASN A 47 3.483 4.630 -2.314 1.00 0.00 C ATOM 692 C ASN A 47 2.469 3.548 -2.671 1.00 0.00 C ATOM 693 O ASN A 47 2.800 2.365 -2.721 1.00 0.00 O ATOM 694 CB ASN A 47 4.491 4.797 -3.453 1.00 0.00 C ATOM 695 CG ASN A 47 5.500 5.894 -3.176 1.00 0.00 C ATOM 696 OD1 ASN A 47 5.140 6.989 -2.742 1.00 0.00 O ATOM 697 ND2 ASN A 47 6.772 5.605 -3.427 1.00 0.00 N ATOM 0 H ASN A 47 4.699 3.432 -1.096 1.00 0.00 H new ATOM 0 HA ASN A 47 2.949 5.569 -2.170 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.017 3.855 -3.610 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.958 5.023 -4.376 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.496 6.304 -3.261 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.025 4.684 -3.786 1.00 0.00 H new ATOM 704 N ASN A 48 1.231 3.964 -2.920 1.00 0.00 N ATOM 705 CA ASN A 48 0.167 3.030 -3.273 1.00 0.00 C ATOM 706 C ASN A 48 0.215 2.689 -4.759 1.00 0.00 C ATOM 707 O ASN A 48 0.050 3.561 -5.613 1.00 0.00 O ATOM 708 CB ASN A 48 -1.198 3.622 -2.917 1.00 0.00 C ATOM 709 CG ASN A 48 -1.807 4.403 -4.066 1.00 0.00 C ATOM 710 OD1 ASN A 48 -1.247 5.401 -4.519 1.00 0.00 O ATOM 711 ND2 ASN A 48 -2.960 3.949 -4.543 1.00 0.00 N ATOM 0 H ASN A 48 0.940 4.941 -2.884 1.00 0.00 H new ATOM 0 HA ASN A 48 0.317 2.113 -2.703 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.875 2.818 -2.628 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.093 4.277 -2.052 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.418 4.432 -5.316 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.388 3.117 -4.136 1.00 0.00 H new ATOM 718 N PHE A 49 0.440 1.415 -5.061 1.00 0.00 N ATOM 719 CA PHE A 49 0.510 0.957 -6.444 1.00 0.00 C ATOM 720 C PHE A 49 -0.586 -0.064 -6.734 1.00 0.00 C ATOM 721 O PHE A 49 -1.313 -0.485 -5.834 1.00 0.00 O ATOM 722 CB PHE A 49 1.882 0.346 -6.733 1.00 0.00 C ATOM 723 CG PHE A 49 3.025 1.284 -6.464 1.00 0.00 C ATOM 724 CD1 PHE A 49 3.183 2.437 -7.215 1.00 0.00 C ATOM 725 CD2 PHE A 49 3.940 1.012 -5.460 1.00 0.00 C ATOM 726 CE1 PHE A 49 4.233 3.302 -6.970 1.00 0.00 C ATOM 727 CE2 PHE A 49 4.991 1.873 -5.210 1.00 0.00 C ATOM 728 CZ PHE A 49 5.139 3.019 -5.967 1.00 0.00 C ATOM 0 H PHE A 49 0.577 0.681 -4.366 1.00 0.00 H new ATOM 0 HA PHE A 49 0.361 1.819 -7.094 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.007 -0.550 -6.125 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.918 0.031 -7.776 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.478 2.663 -8.001 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.830 0.117 -4.866 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.345 4.198 -7.562 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.697 1.650 -4.423 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.961 3.692 -5.775 1.00 0.00 H new ATOM 738 N CYS A 50 -0.698 -0.459 -7.998 1.00 0.00 N ATOM 739 CA CYS A 50 -1.705 -1.430 -8.410 1.00 0.00 C ATOM 740 C CYS A 50 -1.203 -2.856 -8.199 1.00 0.00 C ATOM 741 O CYS A 50 -0.004 -3.087 -8.051 1.00 0.00 O ATOM 742 CB CYS A 50 -2.075 -1.220 -9.879 1.00 0.00 C ATOM 743 SG CYS A 50 -0.676 -1.402 -11.032 1.00 0.00 S ATOM 0 H CYS A 50 -0.104 -0.121 -8.755 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.592 -1.281 -7.794 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.852 -1.934 -10.152 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.501 -0.224 -9.996 1.00 0.00 H new ATOM 748 N ALA A 51 -2.130 -3.808 -8.187 1.00 0.00 N ATOM 749 CA ALA A 51 -1.783 -5.210 -7.997 1.00 0.00 C ATOM 750 C ALA A 51 -0.701 -5.646 -8.980 1.00 0.00 C ATOM 751 O ALA A 51 -0.025 -6.652 -8.767 1.00 0.00 O ATOM 752 CB ALA A 51 -3.019 -6.085 -8.147 1.00 0.00 C ATOM 0 H ALA A 51 -3.128 -3.633 -8.307 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.389 -5.327 -6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.745 -7.130 -8.003 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.761 -5.798 -7.401 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.438 -5.955 -9.145 1.00 0.00 H new ATOM 758 N SER A 52 -0.544 -4.883 -10.056 1.00 0.00 N ATOM 759 CA SER A 52 0.453 -5.193 -11.074 1.00 0.00 C ATOM 760 C SER A 52 1.801 -4.569 -10.723 1.00 0.00 C ATOM 761 O SER A 52 2.855 -5.117 -11.046 1.00 0.00 O ATOM 762 CB SER A 52 -0.012 -4.692 -12.443 1.00 0.00 C ATOM 763 OG SER A 52 0.670 -5.362 -13.489 1.00 0.00 O ATOM 0 H SER A 52 -1.094 -4.045 -10.246 1.00 0.00 H new ATOM 0 HA SER A 52 0.572 -6.276 -11.112 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.086 -4.849 -12.546 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.162 -3.619 -12.520 1.00 0.00 H new ATOM 0 HG SER A 52 0.354 -5.025 -14.354 1.00 0.00 H new ATOM 769 N HIS A 53 1.758 -3.418 -10.059 1.00 0.00 N ATOM 770 CA HIS A 53 2.975 -2.718 -9.662 1.00 0.00 C ATOM 771 C HIS A 53 3.083 -2.636 -8.143 1.00 0.00 C ATOM 772 O HIS A 53 3.836 -1.822 -7.608 1.00 0.00 O ATOM 773 CB HIS A 53 2.999 -1.313 -10.264 1.00 0.00 C ATOM 774 CG HIS A 53 2.810 -1.293 -11.749 1.00 0.00 C ATOM 775 ND1 HIS A 53 2.389 -0.177 -12.440 1.00 0.00 N ATOM 776 CD2 HIS A 53 2.990 -2.263 -12.677 1.00 0.00 C ATOM 777 CE1 HIS A 53 2.317 -0.461 -13.728 1.00 0.00 C ATOM 778 NE2 HIS A 53 2.677 -1.720 -13.899 1.00 0.00 N ATOM 0 H HIS A 53 0.894 -2.950 -9.785 1.00 0.00 H new ATOM 0 HA HIS A 53 3.829 -3.281 -10.039 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.216 -0.714 -9.799 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.950 -0.839 -10.021 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.318 -3.275 -12.491 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.015 0.221 -14.509 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.716 -2.209 -14.793 1.00 0.00 H new ATOM 786 N ARG A 54 2.327 -3.484 -7.453 1.00 0.00 N ATOM 787 CA ARG A 54 2.337 -3.505 -5.996 1.00 0.00 C ATOM 788 C ARG A 54 3.718 -3.883 -5.467 1.00 0.00 C ATOM 789 O ARG A 54 4.156 -3.381 -4.432 1.00 0.00 O ATOM 790 CB ARG A 54 1.291 -4.491 -5.472 1.00 0.00 C ATOM 791 CG ARG A 54 1.737 -5.943 -5.536 1.00 0.00 C ATOM 792 CD ARG A 54 0.585 -6.893 -5.247 1.00 0.00 C ATOM 793 NE ARG A 54 1.049 -8.166 -4.702 1.00 0.00 N ATOM 794 CZ ARG A 54 1.403 -8.336 -3.433 1.00 0.00 C ATOM 795 NH1 ARG A 54 1.347 -7.319 -2.583 1.00 0.00 N ATOM 796 NH2 ARG A 54 1.815 -9.525 -3.011 1.00 0.00 N ATOM 0 H ARG A 54 1.700 -4.166 -7.880 1.00 0.00 H new ATOM 0 HA ARG A 54 2.093 -2.504 -5.641 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.051 -4.239 -4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.374 -4.376 -6.049 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.146 -6.156 -6.523 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.538 -6.111 -4.816 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.102 -6.426 -4.542 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.025 -7.074 -6.165 1.00 0.00 H new ATOM 0 HE ARG A 54 1.104 -8.968 -5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.031 -6.403 -2.903 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.619 -7.453 -1.609 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.860 -10.309 -3.661 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.087 -9.654 -2.036 1.00 0.00 H new ATOM 810 N TYR A 55 4.397 -4.770 -6.185 1.00 0.00 N ATOM 811 CA TYR A 55 5.727 -5.218 -5.787 1.00 0.00 C ATOM 812 C TYR A 55 6.736 -4.078 -5.881 1.00 0.00 C ATOM 813 O TYR A 55 6.515 -3.095 -6.589 1.00 0.00 O ATOM 814 CB TYR A 55 6.178 -6.387 -6.664 1.00 0.00 C ATOM 815 CG TYR A 55 5.074 -7.373 -6.974 1.00 0.00 C ATOM 816 CD1 TYR A 55 4.178 -7.139 -8.009 1.00 0.00 C ATOM 817 CD2 TYR A 55 4.929 -8.539 -6.231 1.00 0.00 C ATOM 818 CE1 TYR A 55 3.167 -8.037 -8.294 1.00 0.00 C ATOM 819 CE2 TYR A 55 3.923 -9.443 -6.511 1.00 0.00 C ATOM 820 CZ TYR A 55 3.044 -9.187 -7.543 1.00 0.00 C ATOM 821 OH TYR A 55 2.040 -10.084 -7.826 1.00 0.00 O ATOM 0 H TYR A 55 4.049 -5.193 -7.045 1.00 0.00 H new ATOM 0 HA TYR A 55 5.676 -5.549 -4.750 1.00 0.00 H new ATOM 0 HB2 TYR A 55 6.577 -5.995 -7.600 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.993 -6.912 -6.165 1.00 0.00 H new ATOM 0 HD1 TYR A 55 4.273 -6.241 -8.601 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.614 -8.741 -5.421 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.477 -7.839 -9.101 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.825 -10.345 -5.925 1.00 0.00 H new ATOM 0 HH TYR A 55 2.093 -10.841 -7.206 1.00 0.00 H new ATOM 831 N ALA A 56 7.845 -4.217 -5.163 1.00 0.00 N ATOM 832 CA ALA A 56 8.891 -3.201 -5.166 1.00 0.00 C ATOM 833 C ALA A 56 9.540 -3.087 -6.541 1.00 0.00 C ATOM 834 O ALA A 56 9.361 -2.090 -7.240 1.00 0.00 O ATOM 835 CB ALA A 56 9.939 -3.519 -4.110 1.00 0.00 C ATOM 0 H ALA A 56 8.043 -5.024 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 56 8.432 -2.241 -4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.714 -2.752 -4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.469 -3.543 -3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.386 -4.490 -4.322 1.00 0.00 H new ATOM 841 N GLU A 57 10.295 -4.113 -6.922 1.00 0.00 N ATOM 842 CA GLU A 57 10.972 -4.125 -8.213 1.00 0.00 C ATOM 843 C GLU A 57 10.061 -3.581 -9.310 1.00 0.00 C ATOM 844 O GLU A 57 10.512 -2.883 -10.217 1.00 0.00 O ATOM 845 CB GLU A 57 11.421 -5.544 -8.565 1.00 0.00 C ATOM 846 CG GLU A 57 10.281 -6.547 -8.622 1.00 0.00 C ATOM 847 CD GLU A 57 10.718 -7.898 -9.155 1.00 0.00 C ATOM 848 OE1 GLU A 57 11.895 -8.264 -8.951 1.00 0.00 O ATOM 849 OE2 GLU A 57 9.883 -8.588 -9.776 1.00 0.00 O ATOM 0 H GLU A 57 10.453 -4.946 -6.355 1.00 0.00 H new ATOM 0 HA GLU A 57 11.849 -3.482 -8.141 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.927 -5.527 -9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.151 -5.878 -7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.863 -6.673 -7.623 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.485 -6.152 -9.254 1.00 0.00 H new ATOM 856 N ALA A 58 8.776 -3.907 -9.219 1.00 0.00 N ATOM 857 CA ALA A 58 7.800 -3.451 -10.202 1.00 0.00 C ATOM 858 C ALA A 58 7.908 -1.946 -10.425 1.00 0.00 C ATOM 859 O ALA A 58 7.848 -1.471 -11.559 1.00 0.00 O ATOM 860 CB ALA A 58 6.393 -3.821 -9.759 1.00 0.00 C ATOM 0 H ALA A 58 8.386 -4.485 -8.475 1.00 0.00 H new ATOM 0 HA ALA A 58 8.014 -3.948 -11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.675 -3.475 -10.502 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.316 -4.904 -9.657 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.178 -3.350 -8.800 1.00 0.00 H new ATOM 866 N HIS A 59 8.067 -1.201 -9.336 1.00 0.00 N ATOM 867 CA HIS A 59 8.183 0.251 -9.413 1.00 0.00 C ATOM 868 C HIS A 59 9.581 0.706 -9.006 1.00 0.00 C ATOM 869 O HIS A 59 9.761 1.813 -8.499 1.00 0.00 O ATOM 870 CB HIS A 59 7.137 0.915 -8.518 1.00 0.00 C ATOM 871 CG HIS A 59 7.359 0.675 -7.056 1.00 0.00 C ATOM 872 ND1 HIS A 59 6.605 -0.210 -6.316 1.00 0.00 N ATOM 873 CD2 HIS A 59 8.259 1.210 -6.198 1.00 0.00 C ATOM 874 CE1 HIS A 59 7.031 -0.209 -5.065 1.00 0.00 C ATOM 875 NE2 HIS A 59 8.034 0.644 -4.967 1.00 0.00 N ATOM 0 H HIS A 59 8.118 -1.579 -8.390 1.00 0.00 H new ATOM 0 HA HIS A 59 8.009 0.551 -10.446 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.139 1.989 -8.706 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.149 0.545 -8.792 1.00 0.00 H new ATOM 0 HD1 HIS A 59 5.838 -0.777 -6.677 1.00 0.00 H new ATOM 0 HD2 HIS A 59 9.013 1.945 -6.437 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.627 -0.805 -4.260 1.00 0.00 H new ATOM 883 N GLY A 60 10.569 -0.155 -9.232 1.00 0.00 N ATOM 884 CA GLY A 60 11.937 0.177 -8.882 1.00 0.00 C ATOM 885 C GLY A 60 12.036 0.911 -7.560 1.00 0.00 C ATOM 886 O GLY A 60 12.707 1.939 -7.460 1.00 0.00 O ATOM 0 H GLY A 60 10.446 -1.077 -9.651 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.528 -0.738 -8.831 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.371 0.793 -9.669 1.00 0.00 H new ATOM 890 N CYS A 61 11.365 0.384 -6.541 1.00 0.00 N ATOM 891 CA CYS A 61 11.378 0.996 -5.218 1.00 0.00 C ATOM 892 C CYS A 61 12.762 1.547 -4.886 1.00 0.00 C ATOM 893 O CYS A 61 13.764 1.120 -5.458 1.00 0.00 O ATOM 894 CB CYS A 61 10.955 -0.022 -4.157 1.00 0.00 C ATOM 895 SG CYS A 61 10.568 0.711 -2.535 1.00 0.00 S ATOM 0 H CYS A 61 10.805 -0.466 -6.607 1.00 0.00 H new ATOM 0 HA CYS A 61 10.668 1.823 -5.222 1.00 0.00 H new ATOM 0 HB2 CYS A 61 10.080 -0.564 -4.517 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.753 -0.753 -4.032 1.00 0.00 H new ATOM 900 N ASN A 62 12.808 2.497 -3.958 1.00 0.00 N ATOM 901 CA ASN A 62 14.069 3.107 -3.551 1.00 0.00 C ATOM 902 C ASN A 62 14.486 2.619 -2.167 1.00 0.00 C ATOM 903 O ASN A 62 15.675 2.542 -1.857 1.00 0.00 O ATOM 904 CB ASN A 62 13.945 4.632 -3.550 1.00 0.00 C ATOM 905 CG ASN A 62 13.475 5.173 -2.214 1.00 0.00 C ATOM 906 OD1 ASN A 62 14.247 5.259 -1.260 1.00 0.00 O ATOM 907 ND2 ASN A 62 12.201 5.541 -2.141 1.00 0.00 N ATOM 0 H ASN A 62 11.987 2.861 -3.474 1.00 0.00 H new ATOM 0 HA ASN A 62 14.835 2.812 -4.268 1.00 0.00 H new ATOM 0 HB2 ASN A 62 14.911 5.072 -3.798 1.00 0.00 H new ATOM 0 HB3 ASN A 62 13.246 4.937 -4.329 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.827 5.913 -1.268 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.597 5.452 -2.958 1.00 0.00 H new ATOM 914 N TYR A 63 13.501 2.290 -1.339 1.00 0.00 N ATOM 915 CA TYR A 63 13.765 1.811 0.012 1.00 0.00 C ATOM 916 C TYR A 63 14.804 0.694 0.001 1.00 0.00 C ATOM 917 O TYR A 63 14.580 -0.371 -0.576 1.00 0.00 O ATOM 918 CB TYR A 63 12.472 1.314 0.662 1.00 0.00 C ATOM 919 CG TYR A 63 12.672 0.738 2.045 1.00 0.00 C ATOM 920 CD1 TYR A 63 13.015 -0.597 2.221 1.00 0.00 C ATOM 921 CD2 TYR A 63 12.519 1.529 3.177 1.00 0.00 C ATOM 922 CE1 TYR A 63 13.198 -1.128 3.483 1.00 0.00 C ATOM 923 CE2 TYR A 63 12.701 1.007 4.443 1.00 0.00 C ATOM 924 CZ TYR A 63 13.040 -0.322 4.591 1.00 0.00 C ATOM 925 OH TYR A 63 13.223 -0.846 5.850 1.00 0.00 O ATOM 0 H TYR A 63 12.512 2.346 -1.580 1.00 0.00 H new ATOM 0 HA TYR A 63 14.160 2.644 0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 63 11.764 2.141 0.721 1.00 0.00 H new ATOM 0 HB3 TYR A 63 12.023 0.554 0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 63 13.141 -1.231 1.356 1.00 0.00 H new ATOM 0 HD2 TYR A 63 12.253 2.570 3.065 1.00 0.00 H new ATOM 0 HE1 TYR A 63 13.463 -2.168 3.601 1.00 0.00 H new ATOM 0 HE2 TYR A 63 12.579 1.636 5.312 1.00 0.00 H new ATOM 0 HH TYR A 63 13.075 -0.146 6.520 1.00 0.00 H new ATOM 935 N ASP A 64 15.939 0.944 0.643 1.00 0.00 N ATOM 936 CA ASP A 64 17.013 -0.040 0.709 1.00 0.00 C ATOM 937 C ASP A 64 16.501 -1.367 1.258 1.00 0.00 C ATOM 938 O ASP A 64 15.917 -1.419 2.341 1.00 0.00 O ATOM 939 CB ASP A 64 18.157 0.480 1.583 1.00 0.00 C ATOM 940 CG ASP A 64 19.250 -0.552 1.779 1.00 0.00 C ATOM 941 OD1 ASP A 64 19.055 -1.475 2.597 1.00 0.00 O ATOM 942 OD2 ASP A 64 20.300 -0.436 1.113 1.00 0.00 O ATOM 0 H ASP A 64 16.140 1.820 1.125 1.00 0.00 H new ATOM 0 HA ASP A 64 17.384 -0.205 -0.303 1.00 0.00 H new ATOM 0 HB2 ASP A 64 18.582 1.373 1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 64 17.762 0.776 2.555 1.00 0.00 H new ATOM 947 N TYR A 65 16.721 -2.438 0.504 1.00 0.00 N ATOM 948 CA TYR A 65 16.278 -3.766 0.913 1.00 0.00 C ATOM 949 C TYR A 65 17.456 -4.610 1.390 1.00 0.00 C ATOM 950 O TYR A 65 17.984 -5.438 0.648 1.00 0.00 O ATOM 951 CB TYR A 65 15.569 -4.469 -0.246 1.00 0.00 C ATOM 952 CG TYR A 65 14.166 -3.963 -0.493 1.00 0.00 C ATOM 953 CD1 TYR A 65 13.098 -4.418 0.271 1.00 0.00 C ATOM 954 CD2 TYR A 65 13.907 -3.032 -1.491 1.00 0.00 C ATOM 955 CE1 TYR A 65 11.814 -3.959 0.049 1.00 0.00 C ATOM 956 CE2 TYR A 65 12.627 -2.567 -1.720 1.00 0.00 C ATOM 957 CZ TYR A 65 11.584 -3.034 -0.948 1.00 0.00 C ATOM 958 OH TYR A 65 10.306 -2.574 -1.173 1.00 0.00 O ATOM 0 H TYR A 65 17.204 -2.413 -0.394 1.00 0.00 H new ATOM 0 HA TYR A 65 15.579 -3.649 1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 65 16.158 -4.339 -1.154 1.00 0.00 H new ATOM 0 HB3 TYR A 65 15.530 -5.539 -0.042 1.00 0.00 H new ATOM 0 HD1 TYR A 65 13.275 -5.143 1.052 1.00 0.00 H new ATOM 0 HD2 TYR A 65 14.721 -2.665 -2.099 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.995 -4.322 0.652 1.00 0.00 H new ATOM 0 HE2 TYR A 65 12.444 -1.842 -2.499 1.00 0.00 H new ATOM 0 HH TYR A 65 10.346 -1.676 -1.563 1.00 0.00 H new ATOM 968 N LYS A 66 17.863 -4.394 2.636 1.00 0.00 N ATOM 969 CA LYS A 66 18.977 -5.134 3.217 1.00 0.00 C ATOM 970 C LYS A 66 18.562 -5.808 4.521 1.00 0.00 C ATOM 971 O LYS A 66 17.604 -5.388 5.170 1.00 0.00 O ATOM 972 CB LYS A 66 20.162 -4.200 3.468 1.00 0.00 C ATOM 973 CG LYS A 66 21.504 -4.911 3.491 1.00 0.00 C ATOM 974 CD LYS A 66 22.640 -3.949 3.797 1.00 0.00 C ATOM 975 CE LYS A 66 22.996 -3.104 2.584 1.00 0.00 C ATOM 976 NZ LYS A 66 23.875 -3.840 1.633 1.00 0.00 N ATOM 0 H LYS A 66 17.438 -3.712 3.264 1.00 0.00 H new ATOM 0 HA LYS A 66 19.275 -5.906 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 66 20.180 -3.434 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.015 -3.688 4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 66 21.485 -5.702 4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 66 21.680 -5.389 2.527 1.00 0.00 H new ATOM 0 HD2 LYS A 66 22.355 -3.299 4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 66 23.516 -4.510 4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 66 22.083 -2.800 2.073 1.00 0.00 H new ATOM 0 HE3 LYS A 66 23.497 -2.193 2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 24.095 -3.230 0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 24.758 -4.109 2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 23.387 -4.696 1.301 1.00 0.00 H new ATOM 990 N SER A 67 19.290 -6.853 4.900 1.00 0.00 N ATOM 991 CA SER A 67 18.995 -7.586 6.126 1.00 0.00 C ATOM 992 C SER A 67 17.490 -7.691 6.348 1.00 0.00 C ATOM 993 O SER A 67 17.005 -7.548 7.470 1.00 0.00 O ATOM 994 CB SER A 67 19.652 -6.900 7.326 1.00 0.00 C ATOM 995 OG SER A 67 19.468 -7.656 8.510 1.00 0.00 O ATOM 0 H SER A 67 20.088 -7.211 4.376 1.00 0.00 H new ATOM 0 HA SER A 67 19.401 -8.593 6.024 1.00 0.00 H new ATOM 0 HB2 SER A 67 20.717 -6.770 7.136 1.00 0.00 H new ATOM 0 HB3 SER A 67 19.228 -5.905 7.457 1.00 0.00 H new ATOM 0 HG SER A 67 18.524 -7.906 8.595 1.00 0.00 H new ATOM 1001 N ALA A 68 16.755 -7.941 5.269 1.00 0.00 N ATOM 1002 CA ALA A 68 15.305 -8.068 5.345 1.00 0.00 C ATOM 1003 C ALA A 68 14.834 -9.376 4.718 1.00 0.00 C ATOM 1004 O ALA A 68 13.970 -10.061 5.263 1.00 0.00 O ATOM 1005 CB ALA A 68 14.636 -6.883 4.663 1.00 0.00 C ATOM 0 H ALA A 68 17.140 -8.060 4.332 1.00 0.00 H new ATOM 0 HA ALA A 68 15.020 -8.077 6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.553 -6.990 4.727 1.00 0.00 H new ATOM 0 HB2 ALA A 68 14.939 -5.960 5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.936 -6.849 3.616 1.00 0.00 H new ATOM 1011 N GLY A 69 15.410 -9.717 3.569 1.00 0.00 N ATOM 1012 CA GLY A 69 15.035 -10.942 2.887 1.00 0.00 C ATOM 1013 C GLY A 69 15.437 -10.938 1.425 1.00 0.00 C ATOM 1014 O GLY A 69 15.954 -11.931 0.914 1.00 0.00 O ATOM 0 H GLY A 69 16.129 -9.167 3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.503 -11.790 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.957 -11.082 2.964 1.00 0.00 H new ATOM 1018 N ARG A 70 15.196 -9.818 0.750 1.00 0.00 N ATOM 1019 CA ARG A 70 15.533 -9.690 -0.662 1.00 0.00 C ATOM 1020 C ARG A 70 16.734 -8.768 -0.853 1.00 0.00 C ATOM 1021 O ARG A 70 17.173 -8.103 0.085 1.00 0.00 O ATOM 1022 CB ARG A 70 14.335 -9.154 -1.448 1.00 0.00 C ATOM 1023 CG ARG A 70 13.121 -10.068 -1.406 1.00 0.00 C ATOM 1024 CD ARG A 70 12.250 -9.782 -0.193 1.00 0.00 C ATOM 1025 NE ARG A 70 10.845 -10.095 -0.442 1.00 0.00 N ATOM 1026 CZ ARG A 70 9.973 -10.373 0.520 1.00 0.00 C ATOM 1027 NH1 ARG A 70 10.358 -10.377 1.788 1.00 0.00 N ATOM 1028 NH2 ARG A 70 8.711 -10.649 0.214 1.00 0.00 N ATOM 0 H ARG A 70 14.769 -8.987 1.159 1.00 0.00 H new ATOM 0 HA ARG A 70 15.793 -10.679 -1.039 1.00 0.00 H new ATOM 0 HB2 ARG A 70 14.058 -8.178 -1.051 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.630 -9.004 -2.486 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.534 -9.938 -2.315 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.448 -11.108 -1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.607 -10.366 0.655 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.344 -8.731 0.081 1.00 0.00 H new ATOM 0 HE ARG A 70 10.516 -10.100 -1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.327 -10.166 2.027 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.686 -10.591 2.524 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.411 -10.648 -0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.042 -10.862 0.954 1.00 0.00 H new ATOM 1042 N ARG A 71 17.260 -8.735 -2.073 1.00 0.00 N ATOM 1043 CA ARG A 71 18.410 -7.896 -2.387 1.00 0.00 C ATOM 1044 C ARG A 71 18.032 -6.805 -3.385 1.00 0.00 C ATOM 1045 O ARG A 71 17.724 -7.089 -4.543 1.00 0.00 O ATOM 1046 CB ARG A 71 19.549 -8.747 -2.951 1.00 0.00 C ATOM 1047 CG ARG A 71 20.327 -9.506 -1.889 1.00 0.00 C ATOM 1048 CD ARG A 71 21.206 -10.583 -2.506 1.00 0.00 C ATOM 1049 NE ARG A 71 20.438 -11.766 -2.886 1.00 0.00 N ATOM 1050 CZ ARG A 71 19.978 -12.655 -2.013 1.00 0.00 C ATOM 1051 NH1 ARG A 71 20.208 -12.497 -0.717 1.00 0.00 N ATOM 1052 NH2 ARG A 71 19.287 -13.706 -2.436 1.00 0.00 N ATOM 0 H ARG A 71 16.908 -9.280 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 71 18.743 -7.420 -1.465 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.139 -9.459 -3.667 1.00 0.00 H new ATOM 0 HB3 ARG A 71 20.235 -8.102 -3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 71 20.946 -8.810 -1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 71 19.632 -9.962 -1.183 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.710 -10.180 -3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.983 -10.868 -1.796 1.00 0.00 H new ATOM 0 HE ARG A 71 20.244 -11.918 -3.876 1.00 0.00 H new ATOM 0 HH11 ARG A 71 20.739 -11.691 -0.388 1.00 0.00 H new ATOM 0 HH12 ARG A 71 19.853 -13.181 -0.049 1.00 0.00 H new ATOM 0 HH21 ARG A 71 19.109 -13.832 -3.432 1.00 0.00 H new ATOM 0 HH22 ARG A 71 18.934 -14.388 -1.765 1.00 0.00 H new ATOM 1066 N TYR A 72 18.057 -5.558 -2.928 1.00 0.00 N ATOM 1067 CA TYR A 72 17.714 -4.425 -3.779 1.00 0.00 C ATOM 1068 C TYR A 72 18.459 -4.498 -5.108 1.00 0.00 C ATOM 1069 O TYR A 72 17.920 -4.141 -6.156 1.00 0.00 O ATOM 1070 CB TYR A 72 18.041 -3.110 -3.070 1.00 0.00 C ATOM 1071 CG TYR A 72 19.524 -2.864 -2.903 1.00 0.00 C ATOM 1072 CD1 TYR A 72 20.244 -3.495 -1.896 1.00 0.00 C ATOM 1073 CD2 TYR A 72 20.205 -2.002 -3.753 1.00 0.00 C ATOM 1074 CE1 TYR A 72 21.598 -3.273 -1.739 1.00 0.00 C ATOM 1075 CE2 TYR A 72 21.559 -1.775 -3.605 1.00 0.00 C ATOM 1076 CZ TYR A 72 22.251 -2.412 -2.596 1.00 0.00 C ATOM 1077 OH TYR A 72 23.601 -2.189 -2.445 1.00 0.00 O ATOM 0 H TYR A 72 18.311 -5.306 -1.973 1.00 0.00 H new ATOM 0 HA TYR A 72 16.643 -4.465 -3.980 1.00 0.00 H new ATOM 0 HB2 TYR A 72 17.606 -2.285 -3.634 1.00 0.00 H new ATOM 0 HB3 TYR A 72 17.568 -3.109 -2.088 1.00 0.00 H new ATOM 0 HD1 TYR A 72 19.736 -4.171 -1.224 1.00 0.00 H new ATOM 0 HD2 TYR A 72 19.666 -1.501 -4.543 1.00 0.00 H new ATOM 0 HE1 TYR A 72 22.142 -3.771 -0.950 1.00 0.00 H new ATOM 0 HE2 TYR A 72 22.073 -1.102 -4.276 1.00 0.00 H new ATOM 0 HH TYR A 72 23.907 -1.558 -3.130 1.00 0.00 H new ATOM 1087 N LEU A 73 19.702 -4.964 -5.058 1.00 0.00 N ATOM 1088 CA LEU A 73 20.523 -5.085 -6.257 1.00 0.00 C ATOM 1089 C LEU A 73 19.901 -6.065 -7.247 1.00 0.00 C ATOM 1090 O LEU A 73 20.252 -7.244 -7.270 1.00 0.00 O ATOM 1091 CB LEU A 73 21.936 -5.543 -5.889 1.00 0.00 C ATOM 1092 CG LEU A 73 22.912 -4.441 -5.476 1.00 0.00 C ATOM 1093 CD1 LEU A 73 24.032 -5.013 -4.621 1.00 0.00 C ATOM 1094 CD2 LEU A 73 23.479 -3.743 -6.703 1.00 0.00 C ATOM 0 H LEU A 73 20.163 -5.264 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 73 20.577 -4.104 -6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.863 -6.261 -5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 73 22.358 -6.074 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 73 22.369 -3.705 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 73 24.717 -4.214 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 73 23.610 -5.466 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 73 24.573 -5.770 -5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 73 24.172 -2.962 -6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 73 24.006 -4.468 -7.323 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.666 -3.298 -7.277 1.00 0.00 H new ATOM 1106 N GLU A 74 18.977 -5.567 -8.063 1.00 0.00 N ATOM 1107 CA GLU A 74 18.307 -6.399 -9.055 1.00 0.00 C ATOM 1108 C GLU A 74 18.626 -5.922 -10.470 1.00 0.00 C ATOM 1109 O GLU A 74 18.565 -4.728 -10.761 1.00 0.00 O ATOM 1110 CB GLU A 74 16.794 -6.385 -8.829 1.00 0.00 C ATOM 1111 CG GLU A 74 16.024 -7.257 -9.805 1.00 0.00 C ATOM 1112 CD GLU A 74 16.386 -8.725 -9.687 1.00 0.00 C ATOM 1113 OE1 GLU A 74 17.554 -9.071 -9.961 1.00 0.00 O ATOM 1114 OE2 GLU A 74 15.501 -9.527 -9.321 1.00 0.00 O ATOM 0 H GLU A 74 18.676 -4.592 -8.056 1.00 0.00 H new ATOM 0 HA GLU A 74 18.673 -7.419 -8.942 1.00 0.00 H new ATOM 0 HB2 GLU A 74 16.584 -6.719 -7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.433 -5.360 -8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.955 -7.135 -9.630 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.221 -6.919 -10.822 1.00 0.00 H new ATOM 1121 N GLU A 75 18.965 -6.865 -11.343 1.00 0.00 N ATOM 1122 CA GLU A 75 19.294 -6.540 -12.726 1.00 0.00 C ATOM 1123 C GLU A 75 18.114 -5.871 -13.424 1.00 0.00 C ATOM 1124 O GLU A 75 16.960 -6.079 -13.051 1.00 0.00 O ATOM 1125 CB GLU A 75 19.700 -7.804 -13.487 1.00 0.00 C ATOM 1126 CG GLU A 75 20.695 -7.548 -14.607 1.00 0.00 C ATOM 1127 CD GLU A 75 20.772 -8.696 -15.594 1.00 0.00 C ATOM 1128 OE1 GLU A 75 19.727 -9.334 -15.844 1.00 0.00 O ATOM 1129 OE2 GLU A 75 21.876 -8.958 -16.116 1.00 0.00 O ATOM 0 H GLU A 75 19.019 -7.858 -11.118 1.00 0.00 H new ATOM 0 HA GLU A 75 20.132 -5.843 -12.719 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.132 -8.517 -12.785 1.00 0.00 H new ATOM 0 HB3 GLU A 75 18.807 -8.269 -13.905 1.00 0.00 H new ATOM 0 HG2 GLU A 75 20.414 -6.637 -15.136 1.00 0.00 H new ATOM 0 HG3 GLU A 75 21.682 -7.376 -14.178 1.00 0.00 H new ATOM 1136 N ALA A 76 18.413 -5.065 -14.438 1.00 0.00 N ATOM 1137 CA ALA A 76 17.377 -4.366 -15.189 1.00 0.00 C ATOM 1138 C ALA A 76 16.600 -5.329 -16.079 1.00 0.00 C ATOM 1139 O ALA A 76 17.163 -6.277 -16.624 1.00 0.00 O ATOM 1140 CB ALA A 76 17.992 -3.252 -16.023 1.00 0.00 C ATOM 0 H ALA A 76 19.364 -4.880 -14.758 1.00 0.00 H new ATOM 0 HA ALA A 76 16.678 -3.928 -14.476 1.00 0.00 H new ATOM 0 HB1 ALA A 76 17.208 -2.738 -16.579 1.00 0.00 H new ATOM 0 HB2 ALA A 76 18.496 -2.542 -15.367 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.713 -3.676 -16.722 1.00 0.00 H new ATOM 1146 N ASN A 77 15.302 -5.079 -16.222 1.00 0.00 N ATOM 1147 CA ASN A 77 14.447 -5.926 -17.046 1.00 0.00 C ATOM 1148 C ASN A 77 13.156 -5.201 -17.413 1.00 0.00 C ATOM 1149 O ASN A 77 12.445 -4.674 -16.557 1.00 0.00 O ATOM 1150 CB ASN A 77 14.123 -7.228 -16.311 1.00 0.00 C ATOM 1151 CG ASN A 77 12.883 -7.908 -16.860 1.00 0.00 C ATOM 1152 OD1 ASN A 77 12.962 -8.706 -17.794 1.00 0.00 O ATOM 1153 ND2 ASN A 77 11.731 -7.594 -16.280 1.00 0.00 N ATOM 0 H ASN A 77 14.820 -4.297 -15.778 1.00 0.00 H new ATOM 0 HA ASN A 77 14.986 -6.160 -17.964 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.972 -7.907 -16.390 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.980 -7.018 -15.251 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.863 -8.020 -16.606 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.714 -6.927 -15.509 1.00 0.00 H new ATOM 1160 N PRO A 78 12.843 -5.172 -18.717 1.00 0.00 N ATOM 1161 CA PRO A 78 11.636 -4.516 -19.228 1.00 0.00 C ATOM 1162 C PRO A 78 10.363 -5.260 -18.839 1.00 0.00 C ATOM 1163 O PRO A 78 10.404 -6.218 -18.067 1.00 0.00 O ATOM 1164 CB PRO A 78 11.831 -4.547 -20.746 1.00 0.00 C ATOM 1165 CG PRO A 78 12.735 -5.706 -20.989 1.00 0.00 C ATOM 1166 CD PRO A 78 13.645 -5.779 -19.794 1.00 0.00 C ATOM 0 HA PRO A 78 11.514 -3.512 -18.821 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.880 -4.671 -21.265 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.272 -3.618 -21.107 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.165 -6.628 -21.103 1.00 0.00 H new ATOM 0 HG3 PRO A 78 13.307 -5.569 -21.907 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.919 -6.808 -19.560 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.573 -5.232 -19.961 1.00 0.00 H new ATOM 1174 N VAL A 79 9.234 -4.814 -19.380 1.00 0.00 N ATOM 1175 CA VAL A 79 7.949 -5.439 -19.091 1.00 0.00 C ATOM 1176 C VAL A 79 7.554 -6.418 -20.191 1.00 0.00 C ATOM 1177 O VAL A 79 7.377 -6.031 -21.346 1.00 0.00 O ATOM 1178 CB VAL A 79 6.836 -4.387 -18.931 1.00 0.00 C ATOM 1179 CG1 VAL A 79 6.725 -3.532 -20.185 1.00 0.00 C ATOM 1180 CG2 VAL A 79 5.509 -5.059 -18.615 1.00 0.00 C ATOM 0 H VAL A 79 9.183 -4.022 -20.021 1.00 0.00 H new ATOM 0 HA VAL A 79 8.065 -5.980 -18.152 1.00 0.00 H new ATOM 0 HB VAL A 79 7.094 -3.735 -18.097 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.933 -2.794 -20.053 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.671 -3.021 -20.362 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.491 -4.167 -21.039 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.734 -4.300 -18.505 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.242 -5.736 -19.426 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.599 -5.623 -17.687 1.00 0.00 H new ATOM 1190 N SER A 80 7.416 -7.688 -19.825 1.00 0.00 N ATOM 1191 CA SER A 80 7.045 -8.724 -20.782 1.00 0.00 C ATOM 1192 C SER A 80 5.735 -9.393 -20.376 1.00 0.00 C ATOM 1193 O SER A 80 5.464 -9.586 -19.192 1.00 0.00 O ATOM 1194 CB SER A 80 8.154 -9.771 -20.888 1.00 0.00 C ATOM 1195 OG SER A 80 7.779 -10.826 -21.756 1.00 0.00 O ATOM 0 H SER A 80 7.556 -8.025 -18.872 1.00 0.00 H new ATOM 0 HA SER A 80 6.907 -8.253 -21.755 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.067 -9.302 -21.254 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.376 -10.171 -19.899 1.00 0.00 H new ATOM 0 HG SER A 80 8.506 -11.481 -21.808 1.00 0.00 H new ATOM 1201 N GLY A 81 4.925 -9.746 -21.371 1.00 0.00 N ATOM 1202 CA GLY A 81 3.653 -10.389 -21.099 1.00 0.00 C ATOM 1203 C GLY A 81 3.352 -11.512 -22.071 1.00 0.00 C ATOM 1204 O GLY A 81 2.607 -11.343 -23.036 1.00 0.00 O ATOM 0 H GLY A 81 5.128 -9.598 -22.360 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.659 -10.784 -20.083 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.856 -9.647 -21.148 1.00 0.00 H new ATOM 1208 N PRO A 82 3.942 -12.691 -21.822 1.00 0.00 N ATOM 1209 CA PRO A 82 3.749 -13.869 -22.673 1.00 0.00 C ATOM 1210 C PRO A 82 2.340 -14.440 -22.561 1.00 0.00 C ATOM 1211 O PRO A 82 1.570 -14.051 -21.682 1.00 0.00 O ATOM 1212 CB PRO A 82 4.775 -14.868 -22.134 1.00 0.00 C ATOM 1213 CG PRO A 82 4.994 -14.460 -20.718 1.00 0.00 C ATOM 1214 CD PRO A 82 4.844 -12.964 -20.690 1.00 0.00 C ATOM 0 HA PRO A 82 3.877 -13.634 -23.730 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.403 -15.891 -22.198 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.703 -14.830 -22.705 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.270 -14.937 -20.058 1.00 0.00 H new ATOM 0 HG3 PRO A 82 5.984 -14.759 -20.374 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.420 -12.620 -19.746 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.804 -12.461 -20.810 1.00 0.00 H new ATOM 1222 N SER A 83 2.008 -15.365 -23.456 1.00 0.00 N ATOM 1223 CA SER A 83 0.689 -15.987 -23.459 1.00 0.00 C ATOM 1224 C SER A 83 0.589 -17.052 -22.372 1.00 0.00 C ATOM 1225 O SER A 83 1.601 -17.539 -21.869 1.00 0.00 O ATOM 1226 CB SER A 83 0.399 -16.609 -24.827 1.00 0.00 C ATOM 1227 OG SER A 83 -0.966 -16.973 -24.942 1.00 0.00 O ATOM 0 H SER A 83 2.634 -15.700 -24.188 1.00 0.00 H new ATOM 0 HA SER A 83 -0.052 -15.214 -23.255 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.657 -15.901 -25.614 1.00 0.00 H new ATOM 0 HB3 SER A 83 1.027 -17.488 -24.971 1.00 0.00 H new ATOM 0 HG SER A 83 -1.126 -17.366 -25.825 1.00 0.00 H new ATOM 1233 N SER A 84 -0.641 -17.410 -22.014 1.00 0.00 N ATOM 1234 CA SER A 84 -0.875 -18.414 -20.984 1.00 0.00 C ATOM 1235 C SER A 84 -0.573 -19.814 -21.511 1.00 0.00 C ATOM 1236 O SER A 84 -0.902 -20.145 -22.649 1.00 0.00 O ATOM 1237 CB SER A 84 -2.323 -18.343 -20.492 1.00 0.00 C ATOM 1238 OG SER A 84 -2.447 -18.894 -19.193 1.00 0.00 O ATOM 0 H SER A 84 -1.490 -17.019 -22.423 1.00 0.00 H new ATOM 0 HA SER A 84 -0.205 -18.206 -20.150 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.657 -17.306 -20.484 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.972 -18.882 -21.183 1.00 0.00 H new ATOM 0 HG SER A 84 -3.380 -18.835 -18.901 1.00 0.00 H new ATOM 1244 N GLY A 85 0.056 -20.632 -20.673 1.00 0.00 N ATOM 1245 CA GLY A 85 0.393 -21.986 -21.071 1.00 0.00 C ATOM 1246 C GLY A 85 0.471 -22.935 -19.891 1.00 0.00 C ATOM 1247 O GLY A 85 0.952 -22.536 -18.832 1.00 0.00 O ATOM 0 H GLY A 85 0.338 -20.381 -19.725 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.353 -22.350 -21.777 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.350 -21.980 -21.593 1.00 0.00 H new TER 1251 GLY A 85 HETATM 1252 ZN ZN A 201 0.380 0.604 -11.568 1.00 0.00 ZN HETATM 1253 ZN ZN A 401 8.269 1.067 -2.691 1.00 0.00 ZN