USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 505 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 GLN : amide:sc= 1.02 K(o=1.6,f=-0.079) USER MOD Set 1.2: A 54 ASN : amide:sc= 0.535 K(o=1.6,f=-0.56) USER MOD Set 2.1: A 38 CYS SG : rot 180:sc= 0.603 USER MOD Set 2.2: A 62 CYS SG : rot 170:sc= 0 USER MOD Set 3.1: A 8 CYS SG : rot 180:sc= -0.562 USER MOD Set 3.2: A 32 HIS : no HD1:sc= -1.33 K(o=-1.9,f=-3.7!) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0898 (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= 0.00187 USER MOD Single : A 11 CYS SG : rot 180:sc= -2.38! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0245 USER MOD Single : A 19 THR OG1 : rot -38:sc= 0.456 USER MOD Single : A 22 LYS NZ :NH3+ -142:sc= 1.13 (180deg=0.3) USER MOD Single : A 25 CYS SG : rot 43:sc= 0.163 USER MOD Single : A 27 GLN : amide:sc= -0.417 X(o=-0.42,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0784 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.699 K(o=-0.7,f=-2) USER MOD Single : A 40 LYS NZ :NH3+ -142:sc= 0.572 (180deg=-0.133) USER MOD Single : A 41 CYS SG : rot 180:sc= -1.85 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= 1.2 (180deg=1.05) USER MOD Single : A 52 THR OG1 : rot 27:sc= 0.0973 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.0478 USER MOD Single : A 60 GLN : amide:sc= -0.331 K(o=-0.33,f=-4.4!) USER MOD Single : A 61 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0126) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -167:sc= -0.0182 (180deg=-0.231) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0296 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.270 -30.588 4.525 1.00 0.00 N ATOM 2 CA GLY A 1 4.763 -29.510 5.390 1.00 0.00 C ATOM 3 C GLY A 1 3.891 -28.264 5.282 1.00 0.00 C ATOM 4 O GLY A 1 2.963 -28.199 4.471 1.00 0.00 O ATOM 0 H1 GLY A 1 4.016 -31.412 5.107 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.431 -30.260 4.005 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.013 -30.858 3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.783 -29.853 6.425 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.789 -29.263 5.116 1.00 0.00 H new ATOM 8 N SER A 2 4.148 -27.264 6.129 1.00 0.00 N ATOM 9 CA SER A 2 3.401 -26.014 6.104 1.00 0.00 C ATOM 10 C SER A 2 3.821 -25.258 4.844 1.00 0.00 C ATOM 11 O SER A 2 5.022 -25.126 4.585 1.00 0.00 O ATOM 12 CB SER A 2 3.705 -25.178 7.351 1.00 0.00 C ATOM 13 OG SER A 2 3.000 -23.952 7.310 1.00 0.00 O ATOM 0 H SER A 2 4.874 -27.302 6.844 1.00 0.00 H new ATOM 0 HA SER A 2 2.329 -26.212 6.097 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.427 -25.735 8.246 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.776 -24.986 7.415 1.00 0.00 H new ATOM 0 HG SER A 2 3.204 -23.430 8.114 1.00 0.00 H new ATOM 19 N SER A 3 2.858 -24.786 4.057 1.00 0.00 N ATOM 20 CA SER A 3 3.106 -24.024 2.841 1.00 0.00 C ATOM 21 C SER A 3 3.085 -22.517 3.127 1.00 0.00 C ATOM 22 O SER A 3 3.498 -21.731 2.279 1.00 0.00 O ATOM 23 CB SER A 3 2.056 -24.372 1.775 1.00 0.00 C ATOM 24 OG SER A 3 2.701 -24.908 0.633 1.00 0.00 O ATOM 0 H SER A 3 1.867 -24.926 4.252 1.00 0.00 H new ATOM 0 HA SER A 3 4.095 -24.289 2.468 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.342 -25.093 2.174 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.491 -23.481 1.502 1.00 0.00 H new ATOM 0 HG SER A 3 2.031 -25.132 -0.046 1.00 0.00 H new ATOM 30 N GLY A 4 2.658 -22.120 4.325 1.00 0.00 N ATOM 31 CA GLY A 4 2.542 -20.750 4.776 1.00 0.00 C ATOM 32 C GLY A 4 1.426 -20.699 5.815 1.00 0.00 C ATOM 33 O GLY A 4 0.888 -21.746 6.198 1.00 0.00 O ATOM 0 H GLY A 4 2.370 -22.789 5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.483 -20.408 5.208 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.316 -20.089 3.939 1.00 0.00 H new ATOM 37 N SER A 5 1.081 -19.494 6.271 1.00 0.00 N ATOM 38 CA SER A 5 0.038 -19.263 7.268 1.00 0.00 C ATOM 39 C SER A 5 -1.175 -18.507 6.708 1.00 0.00 C ATOM 40 O SER A 5 -2.077 -18.225 7.500 1.00 0.00 O ATOM 41 CB SER A 5 0.646 -18.570 8.499 1.00 0.00 C ATOM 42 OG SER A 5 1.392 -17.418 8.157 1.00 0.00 O ATOM 0 H SER A 5 1.528 -18.635 5.950 1.00 0.00 H new ATOM 0 HA SER A 5 -0.356 -20.233 7.573 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.152 -18.291 9.187 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.290 -19.273 9.027 1.00 0.00 H new ATOM 0 HG SER A 5 1.757 -17.011 8.970 1.00 0.00 H new ATOM 48 N SER A 6 -1.178 -18.163 5.408 1.00 0.00 N ATOM 49 CA SER A 6 -2.193 -17.456 4.616 1.00 0.00 C ATOM 50 C SER A 6 -3.380 -16.992 5.464 1.00 0.00 C ATOM 51 O SER A 6 -4.347 -17.742 5.664 1.00 0.00 O ATOM 52 CB SER A 6 -2.606 -18.378 3.463 1.00 0.00 C ATOM 53 OG SER A 6 -1.450 -18.744 2.726 1.00 0.00 O ATOM 0 H SER A 6 -0.377 -18.402 4.824 1.00 0.00 H new ATOM 0 HA SER A 6 -1.775 -16.534 4.213 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.102 -19.268 3.852 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.321 -17.872 2.814 1.00 0.00 H new ATOM 0 HG SER A 6 -1.706 -19.335 1.988 1.00 0.00 H new ATOM 59 N GLY A 7 -3.296 -15.780 6.014 1.00 0.00 N ATOM 60 CA GLY A 7 -4.353 -15.288 6.873 1.00 0.00 C ATOM 61 C GLY A 7 -4.374 -13.783 7.073 1.00 0.00 C ATOM 62 O GLY A 7 -3.716 -13.041 6.355 1.00 0.00 O ATOM 0 H GLY A 7 -2.517 -15.136 5.878 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.312 -15.597 6.456 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.260 -15.767 7.848 1.00 0.00 H new ATOM 66 N CYS A 8 -5.189 -13.332 8.038 1.00 0.00 N ATOM 67 CA CYS A 8 -5.336 -11.909 8.334 1.00 0.00 C ATOM 68 C CYS A 8 -3.998 -11.319 8.758 1.00 0.00 C ATOM 69 O CYS A 8 -3.583 -11.613 9.875 1.00 0.00 O ATOM 70 CB CYS A 8 -6.372 -11.624 9.458 1.00 0.00 C ATOM 71 SG CYS A 8 -6.891 -9.912 9.394 1.00 0.00 S ATOM 0 H CYS A 8 -5.757 -13.941 8.627 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.696 -11.445 7.416 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.236 -12.279 9.342 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.934 -11.843 10.432 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.758 -9.686 10.336 1.00 0.00 H new ATOM 76 N VAL A 9 -3.392 -10.415 7.988 1.00 0.00 N ATOM 77 CA VAL A 9 -2.119 -9.776 8.361 1.00 0.00 C ATOM 78 C VAL A 9 -2.256 -9.053 9.719 1.00 0.00 C ATOM 79 O VAL A 9 -1.281 -8.806 10.427 1.00 0.00 O ATOM 80 CB VAL A 9 -1.726 -8.800 7.231 1.00 0.00 C ATOM 81 CG1 VAL A 9 -0.573 -7.852 7.584 1.00 0.00 C ATOM 82 CG2 VAL A 9 -1.337 -9.591 5.981 1.00 0.00 C ATOM 0 H VAL A 9 -3.764 -10.103 7.091 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.335 -10.524 8.480 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.605 -8.178 7.062 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.363 -7.202 6.734 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.852 -7.245 8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.317 -8.434 7.824 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.060 -8.900 5.185 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.491 -10.239 6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.182 -10.198 5.657 1.00 0.00 H new ATOM 92 N ALA A 10 -3.493 -8.747 10.117 1.00 0.00 N ATOM 93 CA ALA A 10 -3.826 -8.071 11.354 1.00 0.00 C ATOM 94 C ALA A 10 -4.034 -9.016 12.549 1.00 0.00 C ATOM 95 O ALA A 10 -4.388 -8.520 13.617 1.00 0.00 O ATOM 96 CB ALA A 10 -5.070 -7.209 11.114 1.00 0.00 C ATOM 0 H ALA A 10 -4.315 -8.976 9.559 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.972 -7.453 11.632 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.337 -6.691 12.035 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.861 -6.477 10.334 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.899 -7.845 10.802 1.00 0.00 H new ATOM 102 N CYS A 11 -3.983 -10.345 12.404 1.00 0.00 N ATOM 103 CA CYS A 11 -4.166 -11.260 13.543 1.00 0.00 C ATOM 104 C CYS A 11 -3.528 -12.649 13.390 1.00 0.00 C ATOM 105 O CYS A 11 -3.497 -13.430 14.345 1.00 0.00 O ATOM 106 CB CYS A 11 -5.660 -11.464 13.850 1.00 0.00 C ATOM 107 SG CYS A 11 -6.459 -12.657 12.756 1.00 0.00 S ATOM 0 H CYS A 11 -3.817 -10.813 11.513 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.644 -10.758 14.358 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.769 -11.798 14.882 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.174 -10.506 13.769 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.712 -12.773 13.081 1.00 0.00 H new ATOM 112 N SER A 12 -3.069 -12.968 12.186 1.00 0.00 N ATOM 113 CA SER A 12 -2.455 -14.212 11.784 1.00 0.00 C ATOM 114 C SER A 12 -3.336 -15.426 12.084 1.00 0.00 C ATOM 115 O SER A 12 -2.944 -16.343 12.811 1.00 0.00 O ATOM 116 CB SER A 12 -1.025 -14.346 12.313 1.00 0.00 C ATOM 117 OG SER A 12 -0.141 -13.536 11.567 1.00 0.00 O ATOM 0 H SER A 12 -3.124 -12.307 11.411 1.00 0.00 H new ATOM 0 HA SER A 12 -2.367 -14.186 10.698 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.992 -14.058 13.364 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.707 -15.387 12.258 1.00 0.00 H new ATOM 0 HG SER A 12 0.768 -13.633 11.920 1.00 0.00 H new ATOM 123 N LYS A 13 -4.584 -15.387 11.608 1.00 0.00 N ATOM 124 CA LYS A 13 -5.535 -16.487 11.740 1.00 0.00 C ATOM 125 C LYS A 13 -5.755 -16.964 10.309 1.00 0.00 C ATOM 126 O LYS A 13 -5.864 -16.107 9.424 1.00 0.00 O ATOM 127 CB LYS A 13 -6.844 -16.107 12.416 1.00 0.00 C ATOM 128 CG LYS A 13 -6.651 -15.939 13.923 1.00 0.00 C ATOM 129 CD LYS A 13 -6.688 -17.279 14.668 1.00 0.00 C ATOM 130 CE LYS A 13 -6.618 -17.016 16.172 1.00 0.00 C ATOM 131 NZ LYS A 13 -6.478 -18.266 16.936 1.00 0.00 N ATOM 0 H LYS A 13 -4.964 -14.579 11.115 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.138 -17.262 12.396 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.223 -15.179 11.988 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.593 -16.875 12.225 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.697 -15.447 14.112 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.430 -15.286 14.316 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.602 -17.821 14.423 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.853 -17.906 14.356 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.774 -16.361 16.388 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.519 -16.492 16.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.434 -18.049 17.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.296 -18.881 16.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.605 -18.753 16.648 1.00 0.00 H new ATOM 145 N PRO A 14 -5.790 -18.282 10.081 1.00 0.00 N ATOM 146 CA PRO A 14 -5.946 -18.872 8.765 1.00 0.00 C ATOM 147 C PRO A 14 -7.335 -18.572 8.218 1.00 0.00 C ATOM 148 O PRO A 14 -8.338 -19.018 8.777 1.00 0.00 O ATOM 149 CB PRO A 14 -5.634 -20.363 8.952 1.00 0.00 C ATOM 150 CG PRO A 14 -5.953 -20.644 10.415 1.00 0.00 C ATOM 151 CD PRO A 14 -5.697 -19.307 11.109 1.00 0.00 C ATOM 0 HA PRO A 14 -5.272 -18.460 8.014 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.240 -20.981 8.289 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.590 -20.581 8.725 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.985 -20.970 10.544 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.317 -21.432 10.819 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.429 -19.133 11.897 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.714 -19.296 11.579 1.00 0.00 H new ATOM 159 N ILE A 15 -7.419 -17.699 7.214 1.00 0.00 N ATOM 160 CA ILE A 15 -8.691 -17.342 6.587 1.00 0.00 C ATOM 161 C ILE A 15 -9.077 -18.574 5.773 1.00 0.00 C ATOM 162 O ILE A 15 -8.237 -19.085 5.031 1.00 0.00 O ATOM 163 CB ILE A 15 -8.557 -16.096 5.684 1.00 0.00 C ATOM 164 CG1 ILE A 15 -8.046 -14.856 6.451 1.00 0.00 C ATOM 165 CG2 ILE A 15 -9.915 -15.750 5.037 1.00 0.00 C ATOM 166 CD1 ILE A 15 -7.377 -13.845 5.509 1.00 0.00 C ATOM 0 H ILE A 15 -6.611 -17.222 6.814 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.447 -17.079 7.327 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.823 -16.350 4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.879 -14.378 6.967 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.334 -15.168 7.215 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.803 -14.870 4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.255 -16.591 4.432 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.648 -15.545 5.817 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.030 -12.986 6.084 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.528 -14.316 5.013 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.097 -13.514 4.760 1.00 0.00 H new ATOM 178 N SER A 16 -10.307 -19.060 5.925 1.00 0.00 N ATOM 179 CA SER A 16 -10.785 -20.233 5.203 1.00 0.00 C ATOM 180 C SER A 16 -10.801 -20.002 3.688 1.00 0.00 C ATOM 181 O SER A 16 -10.610 -18.878 3.218 1.00 0.00 O ATOM 182 CB SER A 16 -12.202 -20.582 5.670 1.00 0.00 C ATOM 183 OG SER A 16 -12.416 -20.279 7.040 1.00 0.00 O ATOM 0 H SER A 16 -10.999 -18.650 6.553 1.00 0.00 H new ATOM 0 HA SER A 16 -10.100 -21.054 5.416 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.925 -20.036 5.064 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.384 -21.644 5.504 1.00 0.00 H new ATOM 0 HG SER A 16 -13.333 -20.518 7.288 1.00 0.00 H new ATOM 189 N GLY A 17 -11.096 -21.059 2.929 1.00 0.00 N ATOM 190 CA GLY A 17 -11.185 -21.014 1.480 1.00 0.00 C ATOM 191 C GLY A 17 -12.337 -20.108 1.035 1.00 0.00 C ATOM 192 O GLY A 17 -13.020 -19.466 1.840 1.00 0.00 O ATOM 0 H GLY A 17 -11.282 -21.984 3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.246 -20.647 1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.335 -22.020 1.089 1.00 0.00 H new ATOM 196 N LEU A 18 -12.601 -20.079 -0.269 1.00 0.00 N ATOM 197 CA LEU A 18 -13.648 -19.271 -0.897 1.00 0.00 C ATOM 198 C LEU A 18 -15.090 -19.694 -0.537 1.00 0.00 C ATOM 199 O LEU A 18 -16.028 -19.382 -1.272 1.00 0.00 O ATOM 200 CB LEU A 18 -13.406 -19.279 -2.414 1.00 0.00 C ATOM 201 CG LEU A 18 -13.848 -17.986 -3.126 1.00 0.00 C ATOM 202 CD1 LEU A 18 -12.885 -16.838 -2.814 1.00 0.00 C ATOM 203 CD2 LEU A 18 -13.844 -18.220 -4.637 1.00 0.00 C ATOM 0 H LEU A 18 -12.075 -20.636 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.574 -18.258 -0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.344 -19.440 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.939 -20.123 -2.852 1.00 0.00 H new ATOM 0 HG LEU A 18 -14.846 -17.723 -2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.217 -15.935 -3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.868 -16.659 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.883 -17.101 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -14.156 -17.309 -5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.839 -18.491 -4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -14.534 -19.027 -4.882 1.00 0.00 H new ATOM 215 N THR A 19 -15.283 -20.425 0.561 1.00 0.00 N ATOM 216 CA THR A 19 -16.526 -20.940 1.125 1.00 0.00 C ATOM 217 C THR A 19 -17.366 -19.814 1.765 1.00 0.00 C ATOM 218 O THR A 19 -17.989 -20.015 2.810 1.00 0.00 O ATOM 219 CB THR A 19 -16.200 -22.130 2.061 1.00 0.00 C ATOM 220 OG1 THR A 19 -17.382 -22.732 2.551 1.00 0.00 O ATOM 221 CG2 THR A 19 -15.300 -21.772 3.251 1.00 0.00 C ATOM 0 H THR A 19 -14.486 -20.698 1.136 1.00 0.00 H new ATOM 0 HA THR A 19 -17.171 -21.331 0.338 1.00 0.00 H new ATOM 0 HB THR A 19 -15.644 -22.827 1.434 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.047 -22.038 2.744 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.122 -22.663 3.854 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.349 -21.386 2.885 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.789 -21.012 3.861 1.00 0.00 H new ATOM 229 N GLY A 20 -17.306 -18.589 1.234 1.00 0.00 N ATOM 230 CA GLY A 20 -18.059 -17.449 1.745 1.00 0.00 C ATOM 231 C GLY A 20 -17.245 -16.539 2.662 1.00 0.00 C ATOM 232 O GLY A 20 -17.798 -15.581 3.203 1.00 0.00 O ATOM 0 H GLY A 20 -16.725 -18.363 0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -18.431 -16.864 0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -18.930 -17.814 2.290 1.00 0.00 H new ATOM 236 N ALA A 21 -15.954 -16.828 2.860 1.00 0.00 N ATOM 237 CA ALA A 21 -15.068 -16.041 3.702 1.00 0.00 C ATOM 238 C ALA A 21 -14.935 -14.628 3.131 1.00 0.00 C ATOM 239 O ALA A 21 -14.305 -14.451 2.083 1.00 0.00 O ATOM 240 CB ALA A 21 -13.697 -16.729 3.798 1.00 0.00 C ATOM 0 H ALA A 21 -15.495 -17.630 2.429 1.00 0.00 H new ATOM 0 HA ALA A 21 -15.485 -15.967 4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.036 -16.136 4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.818 -17.722 4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.264 -16.817 2.802 1.00 0.00 H new ATOM 246 N LYS A 22 -15.567 -13.631 3.758 1.00 0.00 N ATOM 247 CA LYS A 22 -15.466 -12.254 3.290 1.00 0.00 C ATOM 248 C LYS A 22 -14.074 -11.775 3.686 1.00 0.00 C ATOM 249 O LYS A 22 -13.755 -11.715 4.877 1.00 0.00 O ATOM 250 CB LYS A 22 -16.573 -11.357 3.855 1.00 0.00 C ATOM 251 CG LYS A 22 -16.500 -9.912 3.319 1.00 0.00 C ATOM 252 CD LYS A 22 -17.092 -9.689 1.914 1.00 0.00 C ATOM 253 CE LYS A 22 -16.254 -10.091 0.684 1.00 0.00 C ATOM 254 NZ LYS A 22 -15.174 -9.138 0.324 1.00 0.00 N ATOM 0 H LYS A 22 -16.150 -13.755 4.586 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.604 -12.203 2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.544 -11.784 3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.502 -11.341 4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.019 -9.258 4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.455 -9.601 3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.035 -10.233 1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.329 -8.629 1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.809 -11.068 0.870 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.921 -10.202 -0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.103 -9.069 -0.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.392 -8.201 0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.270 -9.475 0.712 1.00 0.00 H new ATOM 268 N PHE A 23 -13.257 -11.438 2.701 1.00 0.00 N ATOM 269 CA PHE A 23 -11.893 -10.976 2.837 1.00 0.00 C ATOM 270 C PHE A 23 -11.638 -9.818 1.882 1.00 0.00 C ATOM 271 O PHE A 23 -12.493 -9.475 1.065 1.00 0.00 O ATOM 272 CB PHE A 23 -10.910 -12.140 2.636 1.00 0.00 C ATOM 273 CG PHE A 23 -10.948 -12.873 1.306 1.00 0.00 C ATOM 274 CD1 PHE A 23 -10.511 -12.261 0.113 1.00 0.00 C ATOM 275 CD2 PHE A 23 -11.381 -14.211 1.273 1.00 0.00 C ATOM 276 CE1 PHE A 23 -10.547 -12.975 -1.100 1.00 0.00 C ATOM 277 CE2 PHE A 23 -11.423 -14.918 0.062 1.00 0.00 C ATOM 278 CZ PHE A 23 -11.014 -14.297 -1.128 1.00 0.00 C ATOM 0 H PHE A 23 -13.551 -11.484 1.726 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.732 -10.601 3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.900 -11.755 2.778 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.087 -12.869 3.426 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.148 -11.244 0.130 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -11.684 -14.698 2.188 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -10.214 -12.503 -2.012 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.770 -15.941 0.046 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.059 -14.836 -2.063 1.00 0.00 H new ATOM 288 N ILE A 24 -10.522 -9.134 2.102 1.00 0.00 N ATOM 289 CA ILE A 24 -10.025 -8.016 1.324 1.00 0.00 C ATOM 290 C ILE A 24 -8.613 -8.475 0.952 1.00 0.00 C ATOM 291 O ILE A 24 -7.799 -8.722 1.845 1.00 0.00 O ATOM 292 CB ILE A 24 -10.063 -6.707 2.141 1.00 0.00 C ATOM 293 CG1 ILE A 24 -11.488 -6.301 2.589 1.00 0.00 C ATOM 294 CG2 ILE A 24 -9.395 -5.569 1.355 1.00 0.00 C ATOM 295 CD1 ILE A 24 -12.454 -5.911 1.460 1.00 0.00 C ATOM 0 H ILE A 24 -9.903 -9.364 2.880 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.620 -7.777 0.442 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.502 -6.896 3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.924 -7.130 3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.407 -5.461 3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.429 -4.652 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.357 -5.830 1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.924 -5.417 0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.422 -5.645 1.885 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.050 -5.058 0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.576 -6.753 0.779 1.00 0.00 H new ATOM 307 N CYS A 25 -8.358 -8.685 -0.336 1.00 0.00 N ATOM 308 CA CYS A 25 -7.089 -9.128 -0.900 1.00 0.00 C ATOM 309 C CYS A 25 -6.425 -7.914 -1.549 1.00 0.00 C ATOM 310 O CYS A 25 -7.009 -7.303 -2.450 1.00 0.00 O ATOM 311 CB CYS A 25 -7.336 -10.270 -1.902 1.00 0.00 C ATOM 312 SG CYS A 25 -8.874 -10.040 -2.847 1.00 0.00 S ATOM 0 H CYS A 25 -9.070 -8.543 -1.052 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.424 -9.525 -0.133 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.494 -10.333 -2.592 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.380 -11.218 -1.365 1.00 0.00 H new ATOM 0 HG CYS A 25 -8.977 -8.797 -3.213 1.00 0.00 H new ATOM 318 N PHE A 26 -5.257 -7.504 -1.058 1.00 0.00 N ATOM 319 CA PHE A 26 -4.511 -6.356 -1.565 1.00 0.00 C ATOM 320 C PHE A 26 -3.013 -6.640 -1.453 1.00 0.00 C ATOM 321 O PHE A 26 -2.598 -7.237 -0.467 1.00 0.00 O ATOM 322 CB PHE A 26 -4.926 -5.135 -0.731 1.00 0.00 C ATOM 323 CG PHE A 26 -4.140 -3.865 -0.987 1.00 0.00 C ATOM 324 CD1 PHE A 26 -4.539 -2.978 -2.005 1.00 0.00 C ATOM 325 CD2 PHE A 26 -3.026 -3.555 -0.182 1.00 0.00 C ATOM 326 CE1 PHE A 26 -3.835 -1.777 -2.205 1.00 0.00 C ATOM 327 CE2 PHE A 26 -2.337 -2.347 -0.371 1.00 0.00 C ATOM 328 CZ PHE A 26 -2.739 -1.461 -1.384 1.00 0.00 C ATOM 0 H PHE A 26 -4.793 -7.972 -0.279 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.728 -6.163 -2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.980 -4.932 -0.919 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.834 -5.391 0.325 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.385 -3.220 -2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.702 -4.247 0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.136 -1.098 -2.989 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.498 -2.099 0.262 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.204 -0.534 -1.532 1.00 0.00 H new ATOM 338 N GLN A 27 -2.221 -6.184 -2.426 1.00 0.00 N ATOM 339 CA GLN A 27 -0.766 -6.315 -2.537 1.00 0.00 C ATOM 340 C GLN A 27 -0.193 -7.607 -1.914 1.00 0.00 C ATOM 341 O GLN A 27 0.636 -7.550 -1.005 1.00 0.00 O ATOM 342 CB GLN A 27 -0.087 -5.033 -2.005 1.00 0.00 C ATOM 343 CG GLN A 27 -0.438 -3.746 -2.784 1.00 0.00 C ATOM 344 CD GLN A 27 0.375 -3.464 -4.054 1.00 0.00 C ATOM 345 OE1 GLN A 27 0.401 -2.331 -4.536 1.00 0.00 O ATOM 346 NE2 GLN A 27 1.049 -4.438 -4.638 1.00 0.00 N ATOM 0 H GLN A 27 -2.611 -5.674 -3.219 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.531 -6.421 -3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.367 -4.897 -0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.994 -5.173 -2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.492 -3.791 -3.058 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.320 -2.898 -2.110 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.031 -5.378 -4.243 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.587 -4.250 -5.484 1.00 0.00 H new ATOM 355 N ASP A 28 -0.622 -8.772 -2.417 1.00 0.00 N ATOM 356 CA ASP A 28 -0.217 -10.135 -2.021 1.00 0.00 C ATOM 357 C ASP A 28 -0.606 -10.537 -0.592 1.00 0.00 C ATOM 358 O ASP A 28 -0.214 -11.617 -0.135 1.00 0.00 O ATOM 359 CB ASP A 28 1.304 -10.375 -2.156 1.00 0.00 C ATOM 360 CG ASP A 28 1.954 -10.094 -3.500 1.00 0.00 C ATOM 361 OD1 ASP A 28 1.255 -9.851 -4.506 1.00 0.00 O ATOM 362 OD2 ASP A 28 3.210 -10.118 -3.540 1.00 0.00 O ATOM 0 H ASP A 28 -1.313 -8.792 -3.167 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.774 -10.754 -2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.806 -9.762 -1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.502 -11.416 -1.901 1.00 0.00 H new ATOM 367 N SER A 29 -1.350 -9.711 0.134 1.00 0.00 N ATOM 368 CA SER A 29 -1.778 -9.955 1.503 1.00 0.00 C ATOM 369 C SER A 29 -3.299 -10.070 1.591 1.00 0.00 C ATOM 370 O SER A 29 -4.025 -9.636 0.684 1.00 0.00 O ATOM 371 CB SER A 29 -1.228 -8.816 2.360 1.00 0.00 C ATOM 372 OG SER A 29 0.144 -9.031 2.620 1.00 0.00 O ATOM 0 H SER A 29 -1.684 -8.819 -0.231 1.00 0.00 H new ATOM 0 HA SER A 29 -1.391 -10.906 1.869 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.365 -7.864 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.780 -8.755 3.298 1.00 0.00 H new ATOM 0 HG SER A 29 0.492 -8.297 3.168 1.00 0.00 H new ATOM 378 N GLN A 30 -3.782 -10.655 2.692 1.00 0.00 N ATOM 379 CA GLN A 30 -5.196 -10.869 2.945 1.00 0.00 C ATOM 380 C GLN A 30 -5.587 -10.267 4.295 1.00 0.00 C ATOM 381 O GLN A 30 -4.875 -10.370 5.297 1.00 0.00 O ATOM 382 CB GLN A 30 -5.536 -12.371 2.895 1.00 0.00 C ATOM 383 CG GLN A 30 -5.258 -13.062 1.547 1.00 0.00 C ATOM 384 CD GLN A 30 -3.869 -13.690 1.453 1.00 0.00 C ATOM 385 OE1 GLN A 30 -2.946 -13.086 0.925 1.00 0.00 O ATOM 386 NE2 GLN A 30 -3.681 -14.927 1.887 1.00 0.00 N ATOM 0 H GLN A 30 -3.182 -10.997 3.443 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.770 -10.369 2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.966 -12.882 3.671 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.591 -12.497 3.139 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.008 -13.836 1.384 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.372 -12.333 0.745 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.448 -15.435 2.328 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.769 -15.372 1.780 1.00 0.00 H new ATOM 395 N TRP A 31 -6.773 -9.671 4.327 1.00 0.00 N ATOM 396 CA TRP A 31 -7.359 -9.038 5.491 1.00 0.00 C ATOM 397 C TRP A 31 -8.809 -9.499 5.649 1.00 0.00 C ATOM 398 O TRP A 31 -9.465 -9.928 4.696 1.00 0.00 O ATOM 399 CB TRP A 31 -7.264 -7.509 5.319 1.00 0.00 C ATOM 400 CG TRP A 31 -5.941 -6.886 5.669 1.00 0.00 C ATOM 401 CD1 TRP A 31 -5.537 -6.447 6.888 1.00 0.00 C ATOM 402 CD2 TRP A 31 -4.833 -6.601 4.766 1.00 0.00 C ATOM 403 NE1 TRP A 31 -4.273 -5.895 6.787 1.00 0.00 N ATOM 404 CE2 TRP A 31 -3.786 -5.978 5.503 1.00 0.00 C ATOM 405 CE3 TRP A 31 -4.617 -6.797 3.387 1.00 0.00 C ATOM 406 CZ2 TRP A 31 -2.579 -5.585 4.906 1.00 0.00 C ATOM 407 CZ3 TRP A 31 -3.411 -6.406 2.782 1.00 0.00 C ATOM 408 CH2 TRP A 31 -2.387 -5.808 3.535 1.00 0.00 C ATOM 0 H TRP A 31 -7.374 -9.616 3.505 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.822 -9.321 6.396 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.495 -7.265 4.282 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -8.035 -7.046 5.934 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.114 -6.518 7.798 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -3.765 -5.478 7.567 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.390 -7.254 2.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.806 -5.116 5.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.269 -6.567 1.724 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.459 -5.522 3.062 1.00 0.00 H new ATOM 419 N HIS A 32 -9.281 -9.489 6.892 1.00 0.00 N ATOM 420 CA HIS A 32 -10.635 -9.812 7.329 1.00 0.00 C ATOM 421 C HIS A 32 -11.407 -8.508 7.193 1.00 0.00 C ATOM 422 O HIS A 32 -10.851 -7.465 7.550 1.00 0.00 O ATOM 423 CB HIS A 32 -10.666 -10.187 8.825 1.00 0.00 C ATOM 424 CG HIS A 32 -10.236 -11.586 9.202 1.00 0.00 C ATOM 425 ND1 HIS A 32 -9.408 -11.927 10.287 1.00 0.00 N ATOM 426 CD2 HIS A 32 -10.757 -12.724 8.671 1.00 0.00 C ATOM 427 CE1 HIS A 32 -9.452 -13.279 10.360 1.00 0.00 C ATOM 428 NE2 HIS A 32 -10.253 -13.772 9.402 1.00 0.00 N ATOM 0 H HIS A 32 -8.682 -9.236 7.678 1.00 0.00 H new ATOM 0 HA HIS A 32 -11.034 -10.645 6.750 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.030 -9.483 9.362 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.683 -10.038 9.188 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.437 -12.791 7.835 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.919 -13.875 11.086 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -10.454 -14.759 9.244 1.00 0.00 H new ATOM 436 N SER A 33 -12.666 -8.563 6.758 1.00 0.00 N ATOM 437 CA SER A 33 -13.551 -7.408 6.599 1.00 0.00 C ATOM 438 C SER A 33 -13.463 -6.467 7.824 1.00 0.00 C ATOM 439 O SER A 33 -13.114 -5.299 7.702 1.00 0.00 O ATOM 440 CB SER A 33 -14.991 -7.902 6.349 1.00 0.00 C ATOM 441 OG SER A 33 -15.201 -9.245 6.776 1.00 0.00 O ATOM 0 H SER A 33 -13.113 -9.442 6.498 1.00 0.00 H new ATOM 0 HA SER A 33 -13.233 -6.822 5.736 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.689 -7.247 6.870 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.216 -7.825 5.285 1.00 0.00 H new ATOM 0 HG SER A 33 -16.129 -9.504 6.595 1.00 0.00 H new ATOM 447 N GLU A 34 -13.707 -6.995 9.026 1.00 0.00 N ATOM 448 CA GLU A 34 -13.694 -6.265 10.300 1.00 0.00 C ATOM 449 C GLU A 34 -12.335 -5.713 10.731 1.00 0.00 C ATOM 450 O GLU A 34 -12.270 -4.935 11.685 1.00 0.00 O ATOM 451 CB GLU A 34 -14.127 -7.250 11.394 1.00 0.00 C ATOM 452 CG GLU A 34 -15.611 -7.599 11.351 1.00 0.00 C ATOM 453 CD GLU A 34 -15.865 -8.912 12.088 1.00 0.00 C ATOM 454 OE1 GLU A 34 -15.854 -8.928 13.343 1.00 0.00 O ATOM 455 OE2 GLU A 34 -16.110 -9.926 11.391 1.00 0.00 O ATOM 0 H GLU A 34 -13.928 -7.984 9.145 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.353 -5.408 10.160 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.544 -8.166 11.297 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.891 -6.823 12.369 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.194 -6.799 11.807 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.942 -7.684 10.316 1.00 0.00 H new ATOM 462 N CYS A 35 -11.247 -6.131 10.095 1.00 0.00 N ATOM 463 CA CYS A 35 -9.900 -5.700 10.442 1.00 0.00 C ATOM 464 C CYS A 35 -9.222 -4.955 9.284 1.00 0.00 C ATOM 465 O CYS A 35 -7.993 -4.899 9.251 1.00 0.00 O ATOM 466 CB CYS A 35 -9.143 -6.899 11.076 1.00 0.00 C ATOM 467 SG CYS A 35 -9.879 -7.352 12.666 1.00 0.00 S ATOM 0 H CYS A 35 -11.277 -6.787 9.314 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.905 -4.931 11.214 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -9.173 -7.753 10.399 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -8.094 -6.640 11.216 1.00 0.00 H new ATOM 0 HG CYS A 35 -9.230 -8.357 13.174 1.00 0.00 H new ATOM 472 N PHE A 36 -9.973 -4.489 8.279 1.00 0.00 N ATOM 473 CA PHE A 36 -9.463 -3.738 7.132 1.00 0.00 C ATOM 474 C PHE A 36 -9.930 -2.308 7.394 1.00 0.00 C ATOM 475 O PHE A 36 -11.107 -1.989 7.205 1.00 0.00 O ATOM 476 CB PHE A 36 -9.999 -4.329 5.823 1.00 0.00 C ATOM 477 CG PHE A 36 -9.588 -3.525 4.608 1.00 0.00 C ATOM 478 CD1 PHE A 36 -8.231 -3.429 4.241 1.00 0.00 C ATOM 479 CD2 PHE A 36 -10.563 -2.841 3.861 1.00 0.00 C ATOM 480 CE1 PHE A 36 -7.858 -2.642 3.137 1.00 0.00 C ATOM 481 CE2 PHE A 36 -10.188 -2.078 2.743 1.00 0.00 C ATOM 482 CZ PHE A 36 -8.836 -1.969 2.387 1.00 0.00 C ATOM 0 H PHE A 36 -10.983 -4.630 8.243 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.379 -3.779 7.022 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.638 -5.352 5.716 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.087 -4.378 5.870 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.479 -3.959 4.807 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.603 -2.902 4.147 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.816 -2.555 2.865 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.942 -1.574 2.156 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.547 -1.368 1.537 1.00 0.00 H new ATOM 492 N ASN A 37 -9.025 -1.452 7.876 1.00 0.00 N ATOM 493 CA ASN A 37 -9.352 -0.081 8.237 1.00 0.00 C ATOM 494 C ASN A 37 -8.160 0.877 8.154 1.00 0.00 C ATOM 495 O ASN A 37 -7.041 0.465 7.872 1.00 0.00 O ATOM 496 CB ASN A 37 -9.913 -0.122 9.670 1.00 0.00 C ATOM 497 CG ASN A 37 -9.043 -0.894 10.644 1.00 0.00 C ATOM 498 OD1 ASN A 37 -7.891 -0.543 10.874 1.00 0.00 O ATOM 499 ND2 ASN A 37 -9.579 -1.937 11.246 1.00 0.00 N ATOM 0 H ASN A 37 -8.046 -1.696 8.025 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.077 0.309 7.523 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.032 0.899 10.033 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.906 -0.571 9.649 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.033 -2.473 11.921 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.540 -2.208 11.037 1.00 0.00 H new ATOM 506 N CYS A 38 -8.417 2.171 8.402 1.00 0.00 N ATOM 507 CA CYS A 38 -7.412 3.235 8.382 1.00 0.00 C ATOM 508 C CYS A 38 -6.308 2.918 9.381 1.00 0.00 C ATOM 509 O CYS A 38 -6.595 2.994 10.578 1.00 0.00 O ATOM 510 CB CYS A 38 -8.022 4.601 8.784 1.00 0.00 C ATOM 511 SG CYS A 38 -6.868 5.967 8.497 1.00 0.00 S ATOM 0 H CYS A 38 -9.352 2.510 8.627 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.023 3.293 7.365 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.936 4.772 8.215 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.302 4.578 9.837 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.426 7.088 8.847 1.00 0.00 H new ATOM 516 N GLY A 39 -5.066 2.765 8.921 1.00 0.00 N ATOM 517 CA GLY A 39 -3.916 2.451 9.775 1.00 0.00 C ATOM 518 C GLY A 39 -3.637 3.477 10.881 1.00 0.00 C ATOM 519 O GLY A 39 -2.839 3.216 11.778 1.00 0.00 O ATOM 0 H GLY A 39 -4.826 2.856 7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.079 1.476 10.235 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.029 2.363 9.148 1.00 0.00 H new ATOM 523 N LYS A 40 -4.281 4.650 10.837 1.00 0.00 N ATOM 524 CA LYS A 40 -4.133 5.728 11.815 1.00 0.00 C ATOM 525 C LYS A 40 -5.280 5.839 12.817 1.00 0.00 C ATOM 526 O LYS A 40 -5.104 6.465 13.859 1.00 0.00 O ATOM 527 CB LYS A 40 -4.023 7.065 11.060 1.00 0.00 C ATOM 528 CG LYS A 40 -2.605 7.287 10.524 1.00 0.00 C ATOM 529 CD LYS A 40 -2.397 8.718 10.005 1.00 0.00 C ATOM 530 CE LYS A 40 -0.923 9.029 9.693 1.00 0.00 C ATOM 531 NZ LYS A 40 -0.379 8.271 8.544 1.00 0.00 N ATOM 0 H LYS A 40 -4.941 4.880 10.094 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.238 5.494 12.391 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.733 7.077 10.233 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.295 7.884 11.726 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.883 7.081 11.315 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.408 6.578 9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.993 8.863 9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.764 9.426 10.748 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.822 10.096 9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.322 8.812 10.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.605 7.998 8.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.951 7.416 8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.408 8.865 7.691 1.00 0.00 H new ATOM 545 N CYS A 41 -6.472 5.309 12.508 1.00 0.00 N ATOM 546 CA CYS A 41 -7.614 5.422 13.412 1.00 0.00 C ATOM 547 C CYS A 41 -8.541 4.206 13.558 1.00 0.00 C ATOM 548 O CYS A 41 -9.426 4.263 14.403 1.00 0.00 O ATOM 549 CB CYS A 41 -8.484 6.577 12.898 1.00 0.00 C ATOM 550 SG CYS A 41 -9.750 6.038 11.740 1.00 0.00 S ATOM 0 H CYS A 41 -6.665 4.802 11.644 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.168 5.556 14.398 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.960 7.071 13.745 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.847 7.317 12.414 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.447 7.064 11.350 1.00 0.00 H new ATOM 555 N SER A 42 -8.485 3.192 12.686 1.00 0.00 N ATOM 556 CA SER A 42 -9.353 2.013 12.795 1.00 0.00 C ATOM 557 C SER A 42 -10.779 2.202 12.217 1.00 0.00 C ATOM 558 O SER A 42 -11.732 1.581 12.691 1.00 0.00 O ATOM 559 CB SER A 42 -9.310 1.412 14.220 1.00 0.00 C ATOM 560 OG SER A 42 -9.587 0.027 14.214 1.00 0.00 O ATOM 0 H SER A 42 -7.844 3.165 11.893 1.00 0.00 H new ATOM 0 HA SER A 42 -8.931 1.260 12.130 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.327 1.584 14.657 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.034 1.925 14.853 1.00 0.00 H new ATOM 0 HG SER A 42 -9.549 -0.318 15.130 1.00 0.00 H new ATOM 566 N VAL A 43 -10.979 3.087 11.226 1.00 0.00 N ATOM 567 CA VAL A 43 -12.290 3.277 10.579 1.00 0.00 C ATOM 568 C VAL A 43 -12.269 2.343 9.374 1.00 0.00 C ATOM 569 O VAL A 43 -11.292 2.382 8.613 1.00 0.00 O ATOM 570 CB VAL A 43 -12.595 4.738 10.188 1.00 0.00 C ATOM 571 CG1 VAL A 43 -11.691 5.325 9.092 1.00 0.00 C ATOM 572 CG2 VAL A 43 -14.045 4.904 9.717 1.00 0.00 C ATOM 0 H VAL A 43 -10.243 3.687 10.853 1.00 0.00 H new ATOM 0 HA VAL A 43 -13.098 3.042 11.272 1.00 0.00 H new ATOM 0 HB VAL A 43 -12.403 5.287 11.110 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.986 6.355 8.890 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.654 5.304 9.426 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.791 4.733 8.182 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.224 5.946 9.450 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -14.220 4.271 8.847 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.724 4.613 10.519 1.00 0.00 H new ATOM 582 N SER A 44 -13.295 1.511 9.235 1.00 0.00 N ATOM 583 CA SER A 44 -13.445 0.541 8.166 1.00 0.00 C ATOM 584 C SER A 44 -13.260 1.182 6.792 1.00 0.00 C ATOM 585 O SER A 44 -13.768 2.274 6.526 1.00 0.00 O ATOM 586 CB SER A 44 -14.830 -0.090 8.311 1.00 0.00 C ATOM 587 OG SER A 44 -15.029 -1.158 7.413 1.00 0.00 O ATOM 0 H SER A 44 -14.075 1.496 9.893 1.00 0.00 H new ATOM 0 HA SER A 44 -12.673 -0.224 8.243 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.958 -0.449 9.332 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.593 0.670 8.142 1.00 0.00 H new ATOM 0 HG SER A 44 -15.926 -1.531 7.542 1.00 0.00 H new ATOM 593 N LEU A 45 -12.519 0.494 5.921 1.00 0.00 N ATOM 594 CA LEU A 45 -12.242 0.920 4.546 1.00 0.00 C ATOM 595 C LEU A 45 -12.932 -0.023 3.549 1.00 0.00 C ATOM 596 O LEU A 45 -12.756 0.120 2.337 1.00 0.00 O ATOM 597 CB LEU A 45 -10.725 1.014 4.297 1.00 0.00 C ATOM 598 CG LEU A 45 -9.995 2.083 5.128 1.00 0.00 C ATOM 599 CD1 LEU A 45 -8.495 2.034 4.820 1.00 0.00 C ATOM 600 CD2 LEU A 45 -10.535 3.508 4.937 1.00 0.00 C ATOM 0 H LEU A 45 -12.084 -0.398 6.158 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.652 1.918 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.277 0.043 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.558 1.220 3.240 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.180 1.840 6.174 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.978 2.792 5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.104 1.048 5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.335 2.227 3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.965 4.199 5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.438 3.797 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.585 3.541 5.227 1.00 0.00 H new ATOM 612 N VAL A 46 -13.705 -0.989 4.055 1.00 0.00 N ATOM 613 CA VAL A 46 -14.454 -1.981 3.304 1.00 0.00 C ATOM 614 C VAL A 46 -15.429 -1.257 2.375 1.00 0.00 C ATOM 615 O VAL A 46 -16.436 -0.717 2.834 1.00 0.00 O ATOM 616 CB VAL A 46 -15.164 -2.923 4.298 1.00 0.00 C ATOM 617 CG1 VAL A 46 -16.037 -3.941 3.562 1.00 0.00 C ATOM 618 CG2 VAL A 46 -14.155 -3.705 5.154 1.00 0.00 C ATOM 0 H VAL A 46 -13.827 -1.099 5.062 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.801 -2.594 2.683 1.00 0.00 H new ATOM 0 HB VAL A 46 -15.778 -2.289 4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -16.526 -4.592 4.286 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -16.793 -3.417 2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.415 -4.540 2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.691 -4.358 5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -13.517 -4.306 4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -13.540 -3.006 5.721 1.00 0.00 H new ATOM 628 N GLY A 47 -15.134 -1.229 1.074 1.00 0.00 N ATOM 629 CA GLY A 47 -15.977 -0.567 0.095 1.00 0.00 C ATOM 630 C GLY A 47 -16.105 0.930 0.364 1.00 0.00 C ATOM 631 O GLY A 47 -17.196 1.482 0.216 1.00 0.00 O ATOM 0 H GLY A 47 -14.303 -1.666 0.676 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.564 -0.721 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -16.967 -1.022 0.104 1.00 0.00 H new ATOM 635 N LYS A 48 -15.039 1.587 0.839 1.00 0.00 N ATOM 636 CA LYS A 48 -15.042 3.023 1.131 1.00 0.00 C ATOM 637 C LYS A 48 -13.784 3.628 0.524 1.00 0.00 C ATOM 638 O LYS A 48 -12.808 2.919 0.260 1.00 0.00 O ATOM 639 CB LYS A 48 -15.171 3.321 2.649 1.00 0.00 C ATOM 640 CG LYS A 48 -15.983 2.262 3.416 1.00 0.00 C ATOM 641 CD LYS A 48 -16.651 2.701 4.722 1.00 0.00 C ATOM 642 CE LYS A 48 -17.228 1.486 5.480 1.00 0.00 C ATOM 643 NZ LYS A 48 -18.091 0.625 4.634 1.00 0.00 N ATOM 0 H LYS A 48 -14.146 1.133 1.032 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.922 3.484 0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.174 3.388 3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -15.642 4.295 2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.759 1.884 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -15.321 1.426 3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.925 3.216 5.351 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -17.448 3.412 4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.406 0.889 5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.805 1.840 6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.681 0.022 5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.702 1.222 4.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.495 0.027 4.026 1.00 0.00 H new ATOM 657 N GLY A 49 -13.787 4.944 0.337 1.00 0.00 N ATOM 658 CA GLY A 49 -12.668 5.666 -0.233 1.00 0.00 C ATOM 659 C GLY A 49 -11.459 5.571 0.679 1.00 0.00 C ATOM 660 O GLY A 49 -11.557 5.870 1.878 1.00 0.00 O ATOM 0 H GLY A 49 -14.578 5.540 0.581 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.425 5.258 -1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.939 6.711 -0.381 1.00 0.00 H new ATOM 664 N PHE A 50 -10.344 5.100 0.130 1.00 0.00 N ATOM 665 CA PHE A 50 -9.082 4.950 0.831 1.00 0.00 C ATOM 666 C PHE A 50 -7.958 5.506 -0.034 1.00 0.00 C ATOM 667 O PHE A 50 -8.160 5.873 -1.193 1.00 0.00 O ATOM 668 CB PHE A 50 -8.856 3.509 1.321 1.00 0.00 C ATOM 669 CG PHE A 50 -8.641 2.427 0.284 1.00 0.00 C ATOM 670 CD1 PHE A 50 -7.400 2.313 -0.373 1.00 0.00 C ATOM 671 CD2 PHE A 50 -9.645 1.467 0.048 1.00 0.00 C ATOM 672 CE1 PHE A 50 -7.179 1.272 -1.289 1.00 0.00 C ATOM 673 CE2 PHE A 50 -9.423 0.429 -0.873 1.00 0.00 C ATOM 674 CZ PHE A 50 -8.190 0.332 -1.536 1.00 0.00 C ATOM 0 H PHE A 50 -10.297 4.804 -0.845 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.101 5.537 1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -7.989 3.514 1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.717 3.224 1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.616 3.028 -0.172 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -10.586 1.529 0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.232 1.195 -1.802 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -10.201 -0.294 -1.070 1.00 0.00 H new ATOM 0 HZ PHE A 50 -8.019 -0.470 -2.239 1.00 0.00 H new ATOM 684 N LEU A 51 -6.776 5.602 0.556 1.00 0.00 N ATOM 685 CA LEU A 51 -5.561 6.113 -0.040 1.00 0.00 C ATOM 686 C LEU A 51 -4.456 5.163 0.360 1.00 0.00 C ATOM 687 O LEU A 51 -4.576 4.446 1.362 1.00 0.00 O ATOM 688 CB LEU A 51 -5.231 7.532 0.459 1.00 0.00 C ATOM 689 CG LEU A 51 -6.299 8.581 0.178 1.00 0.00 C ATOM 690 CD1 LEU A 51 -7.326 8.595 1.293 1.00 0.00 C ATOM 691 CD2 LEU A 51 -5.699 9.987 0.104 1.00 0.00 C ATOM 0 H LEU A 51 -6.636 5.306 1.522 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.675 6.178 -1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.058 7.491 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.297 7.854 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.755 8.319 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.084 9.349 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.799 7.615 1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.835 8.831 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.490 10.710 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.220 10.229 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.960 10.025 -0.696 1.00 0.00 H new ATOM 703 N THR A 52 -3.401 5.162 -0.435 1.00 0.00 N ATOM 704 CA THR A 52 -2.249 4.312 -0.222 1.00 0.00 C ATOM 705 C THR A 52 -1.001 5.154 -0.478 1.00 0.00 C ATOM 706 O THR A 52 -0.861 5.732 -1.558 1.00 0.00 O ATOM 707 CB THR A 52 -2.370 3.046 -1.099 1.00 0.00 C ATOM 708 OG1 THR A 52 -2.471 3.340 -2.481 1.00 0.00 O ATOM 709 CG2 THR A 52 -3.608 2.211 -0.766 1.00 0.00 C ATOM 0 H THR A 52 -3.322 5.761 -1.257 1.00 0.00 H new ATOM 0 HA THR A 52 -2.183 3.942 0.801 1.00 0.00 H new ATOM 0 HB THR A 52 -1.454 2.496 -0.882 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.036 4.199 -2.665 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.641 1.335 -1.413 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.562 1.892 0.275 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.504 2.811 -0.922 1.00 0.00 H new ATOM 717 N GLN A 53 -0.181 5.382 0.546 1.00 0.00 N ATOM 718 CA GLN A 53 1.052 6.145 0.434 1.00 0.00 C ATOM 719 C GLN A 53 2.068 5.459 1.340 1.00 0.00 C ATOM 720 O GLN A 53 1.704 4.984 2.419 1.00 0.00 O ATOM 721 CB GLN A 53 0.816 7.611 0.843 1.00 0.00 C ATOM 722 CG GLN A 53 1.975 8.547 0.470 1.00 0.00 C ATOM 723 CD GLN A 53 1.853 9.890 1.186 1.00 0.00 C ATOM 724 OE1 GLN A 53 1.067 10.746 0.787 1.00 0.00 O ATOM 725 NE2 GLN A 53 2.602 10.112 2.251 1.00 0.00 N ATOM 0 H GLN A 53 -0.360 5.035 1.488 1.00 0.00 H new ATOM 0 HA GLN A 53 1.418 6.170 -0.592 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.097 7.970 0.368 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.654 7.658 1.920 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.923 8.078 0.731 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.985 8.706 -0.608 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.252 9.396 2.576 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.530 10.999 2.749 1.00 0.00 H new ATOM 734 N ASN A 54 3.344 5.465 0.943 1.00 0.00 N ATOM 735 CA ASN A 54 4.456 4.867 1.686 1.00 0.00 C ATOM 736 C ASN A 54 4.126 3.439 2.137 1.00 0.00 C ATOM 737 O ASN A 54 4.443 3.050 3.260 1.00 0.00 O ATOM 738 CB ASN A 54 4.886 5.802 2.833 1.00 0.00 C ATOM 739 CG ASN A 54 5.406 7.131 2.305 1.00 0.00 C ATOM 740 OD1 ASN A 54 4.745 8.160 2.408 1.00 0.00 O ATOM 741 ND2 ASN A 54 6.549 7.130 1.644 1.00 0.00 N ATOM 0 H ASN A 54 3.640 5.900 0.069 1.00 0.00 H new ATOM 0 HA ASN A 54 5.318 4.763 1.027 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.039 5.979 3.496 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.661 5.318 3.428 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.890 7.990 1.213 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.091 6.270 1.564 1.00 0.00 H new ATOM 748 N LYS A 55 3.499 2.667 1.244 1.00 0.00 N ATOM 749 CA LYS A 55 3.029 1.285 1.382 1.00 0.00 C ATOM 750 C LYS A 55 1.971 1.075 2.476 1.00 0.00 C ATOM 751 O LYS A 55 1.583 -0.067 2.724 1.00 0.00 O ATOM 752 CB LYS A 55 4.144 0.222 1.289 1.00 0.00 C ATOM 753 CG LYS A 55 5.220 0.220 2.385 1.00 0.00 C ATOM 754 CD LYS A 55 5.926 -1.142 2.509 1.00 0.00 C ATOM 755 CE LYS A 55 6.576 -1.674 1.224 1.00 0.00 C ATOM 756 NZ LYS A 55 7.835 -0.998 0.876 1.00 0.00 N ATOM 0 H LYS A 55 3.287 3.030 0.315 1.00 0.00 H new ATOM 0 HA LYS A 55 2.453 1.095 0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.671 -0.760 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.644 0.343 0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.959 0.991 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.763 0.478 3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.695 -1.063 3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.200 -1.876 2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.766 -2.741 1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.873 -1.562 0.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.218 -1.407 -0.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.657 0.017 0.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.522 -1.126 1.646 1.00 0.00 H new ATOM 770 N GLU A 56 1.434 2.123 3.106 1.00 0.00 N ATOM 771 CA GLU A 56 0.407 2.026 4.151 1.00 0.00 C ATOM 772 C GLU A 56 -1.000 2.239 3.560 1.00 0.00 C ATOM 773 O GLU A 56 -1.131 2.473 2.356 1.00 0.00 O ATOM 774 CB GLU A 56 0.705 3.045 5.259 1.00 0.00 C ATOM 775 CG GLU A 56 2.051 2.820 5.960 1.00 0.00 C ATOM 776 CD GLU A 56 2.107 1.480 6.692 1.00 0.00 C ATOM 777 OE1 GLU A 56 2.488 0.448 6.088 1.00 0.00 O ATOM 778 OE2 GLU A 56 1.782 1.463 7.896 1.00 0.00 O ATOM 0 H GLU A 56 1.706 3.084 2.901 1.00 0.00 H new ATOM 0 HA GLU A 56 0.430 1.025 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.692 4.047 4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.092 3.004 6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.853 2.863 5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.227 3.627 6.671 1.00 0.00 H new ATOM 785 N ILE A 57 -2.056 2.142 4.382 1.00 0.00 N ATOM 786 CA ILE A 57 -3.454 2.309 3.970 1.00 0.00 C ATOM 787 C ILE A 57 -4.135 3.349 4.873 1.00 0.00 C ATOM 788 O ILE A 57 -4.181 3.202 6.103 1.00 0.00 O ATOM 789 CB ILE A 57 -4.188 0.942 3.915 1.00 0.00 C ATOM 790 CG1 ILE A 57 -4.249 0.183 5.265 1.00 0.00 C ATOM 791 CG2 ILE A 57 -3.533 0.044 2.848 1.00 0.00 C ATOM 792 CD1 ILE A 57 -5.224 -1.002 5.260 1.00 0.00 C ATOM 0 H ILE A 57 -1.956 1.940 5.377 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.499 2.697 2.952 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.222 1.173 3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.252 -0.179 5.514 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.541 0.880 6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.050 -0.915 2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.599 0.529 1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.486 -0.118 3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.214 -1.485 6.237 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.230 -0.644 5.042 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.921 -1.719 4.497 1.00 0.00 H new ATOM 804 N PHE A 58 -4.690 4.420 4.292 1.00 0.00 N ATOM 805 CA PHE A 58 -5.343 5.484 5.052 1.00 0.00 C ATOM 806 C PHE A 58 -6.723 5.846 4.500 1.00 0.00 C ATOM 807 O PHE A 58 -7.081 5.514 3.378 1.00 0.00 O ATOM 808 CB PHE A 58 -4.416 6.714 5.126 1.00 0.00 C ATOM 809 CG PHE A 58 -3.023 6.441 5.685 1.00 0.00 C ATOM 810 CD1 PHE A 58 -2.855 5.749 6.902 1.00 0.00 C ATOM 811 CD2 PHE A 58 -1.881 6.850 4.971 1.00 0.00 C ATOM 812 CE1 PHE A 58 -1.568 5.421 7.359 1.00 0.00 C ATOM 813 CE2 PHE A 58 -0.592 6.560 5.452 1.00 0.00 C ATOM 814 CZ PHE A 58 -0.436 5.834 6.642 1.00 0.00 C ATOM 0 H PHE A 58 -4.697 4.570 3.283 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.520 5.113 6.061 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.313 7.133 4.125 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.895 7.475 5.742 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.720 5.470 7.485 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.996 7.392 4.044 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.450 4.848 8.267 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.277 6.896 4.906 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.553 5.594 7.005 1.00 0.00 H new ATOM 824 N CYS A 59 -7.541 6.486 5.343 1.00 0.00 N ATOM 825 CA CYS A 59 -8.895 6.917 4.965 1.00 0.00 C ATOM 826 C CYS A 59 -8.754 8.324 4.342 1.00 0.00 C ATOM 827 O CYS A 59 -7.795 9.008 4.713 1.00 0.00 O ATOM 828 CB CYS A 59 -9.818 7.053 6.207 1.00 0.00 C ATOM 829 SG CYS A 59 -9.883 8.691 6.923 1.00 0.00 S ATOM 0 H CYS A 59 -7.286 6.720 6.303 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.330 6.184 4.285 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.828 6.756 5.925 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.481 6.352 6.970 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.683 8.685 7.948 1.00 0.00 H new ATOM 834 N GLN A 60 -9.746 8.829 3.590 1.00 0.00 N ATOM 835 CA GLN A 60 -9.685 10.176 2.995 1.00 0.00 C ATOM 836 C GLN A 60 -9.405 11.241 4.055 1.00 0.00 C ATOM 837 O GLN A 60 -8.418 11.949 3.937 1.00 0.00 O ATOM 838 CB GLN A 60 -10.946 10.510 2.165 1.00 0.00 C ATOM 839 CG GLN A 60 -10.688 10.559 0.648 1.00 0.00 C ATOM 840 CD GLN A 60 -9.821 11.741 0.212 1.00 0.00 C ATOM 841 OE1 GLN A 60 -8.622 11.761 0.453 1.00 0.00 O ATOM 842 NE2 GLN A 60 -10.370 12.735 -0.458 1.00 0.00 N ATOM 0 H GLN A 60 -10.605 8.322 3.378 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.847 10.177 2.298 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.715 9.765 2.371 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.340 11.473 2.490 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.205 9.632 0.340 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.644 10.609 0.127 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.369 12.722 -0.661 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.795 13.516 -0.773 1.00 0.00 H new ATOM 851 N LYS A 61 -10.167 11.314 5.151 1.00 0.00 N ATOM 852 CA LYS A 61 -9.925 12.314 6.202 1.00 0.00 C ATOM 853 C LYS A 61 -8.474 12.326 6.707 1.00 0.00 C ATOM 854 O LYS A 61 -7.956 13.378 7.047 1.00 0.00 O ATOM 855 CB LYS A 61 -10.931 12.088 7.339 1.00 0.00 C ATOM 856 CG LYS A 61 -10.885 13.159 8.430 1.00 0.00 C ATOM 857 CD LYS A 61 -10.017 12.809 9.647 1.00 0.00 C ATOM 858 CE LYS A 61 -9.777 14.017 10.560 1.00 0.00 C ATOM 859 NZ LYS A 61 -11.015 14.672 11.030 1.00 0.00 N ATOM 0 H LYS A 61 -10.956 10.695 5.336 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.075 13.305 5.773 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.937 12.054 6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.741 11.115 7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.514 14.086 7.993 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.902 13.352 8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.499 12.016 10.218 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.058 12.419 9.306 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.197 13.696 11.425 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.172 14.749 10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.773 15.446 11.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.536 15.055 10.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.609 13.977 11.525 1.00 0.00 H new ATOM 873 N CYS A 62 -7.859 11.151 6.872 1.00 0.00 N ATOM 874 CA CYS A 62 -6.473 11.029 7.336 1.00 0.00 C ATOM 875 C CYS A 62 -5.463 11.316 6.202 1.00 0.00 C ATOM 876 O CYS A 62 -4.366 11.777 6.499 1.00 0.00 O ATOM 877 CB CYS A 62 -6.213 9.688 8.075 1.00 0.00 C ATOM 878 SG CYS A 62 -6.485 9.749 9.858 1.00 0.00 S ATOM 0 H CYS A 62 -8.309 10.255 6.687 1.00 0.00 H new ATOM 0 HA CYS A 62 -6.311 11.804 8.085 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.860 8.921 7.648 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.185 9.378 7.888 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.451 8.544 10.344 1.00 0.00 H new ATOM 883 N GLY A 63 -5.804 11.057 4.935 1.00 0.00 N ATOM 884 CA GLY A 63 -4.968 11.284 3.751 1.00 0.00 C ATOM 885 C GLY A 63 -5.312 12.579 3.003 1.00 0.00 C ATOM 886 O GLY A 63 -4.932 12.763 1.847 1.00 0.00 O ATOM 0 H GLY A 63 -6.715 10.664 4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.922 11.315 4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.078 10.440 3.070 1.00 0.00 H new ATOM 890 N SER A 64 -6.087 13.469 3.620 1.00 0.00 N ATOM 891 CA SER A 64 -6.500 14.741 3.059 1.00 0.00 C ATOM 892 C SER A 64 -5.347 15.694 3.354 1.00 0.00 C ATOM 893 O SER A 64 -5.423 16.498 4.287 1.00 0.00 O ATOM 894 CB SER A 64 -7.851 15.112 3.684 1.00 0.00 C ATOM 895 OG SER A 64 -8.243 16.454 3.455 1.00 0.00 O ATOM 0 H SER A 64 -6.455 13.312 4.558 1.00 0.00 H new ATOM 0 HA SER A 64 -6.675 14.752 1.983 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.618 14.447 3.287 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.803 14.937 4.759 1.00 0.00 H new ATOM 0 HG SER A 64 -9.111 16.618 3.879 1.00 0.00 H new ATOM 901 N GLY A 65 -4.299 15.610 2.537 1.00 0.00 N ATOM 902 CA GLY A 65 -3.094 16.407 2.670 1.00 0.00 C ATOM 903 C GLY A 65 -2.281 15.863 3.843 1.00 0.00 C ATOM 904 O GLY A 65 -2.826 15.256 4.772 1.00 0.00 O ATOM 0 H GLY A 65 -4.270 14.967 1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.509 16.365 1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.348 17.453 2.838 1.00 0.00 H new ATOM 908 N MET A 66 -0.974 16.101 3.849 1.00 0.00 N ATOM 909 CA MET A 66 -0.092 15.637 4.886 1.00 0.00 C ATOM 910 C MET A 66 0.976 16.700 5.074 1.00 0.00 C ATOM 911 O MET A 66 1.711 16.998 4.132 1.00 0.00 O ATOM 912 CB MET A 66 0.484 14.294 4.423 1.00 0.00 C ATOM 913 CG MET A 66 1.615 13.840 5.329 1.00 0.00 C ATOM 914 SD MET A 66 2.321 12.222 4.923 1.00 0.00 S ATOM 915 CE MET A 66 0.909 11.123 5.228 1.00 0.00 C ATOM 0 H MET A 66 -0.501 16.631 3.117 1.00 0.00 H new ATOM 0 HA MET A 66 -0.588 15.481 5.844 1.00 0.00 H new ATOM 0 HB2 MET A 66 -0.304 13.541 4.415 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.848 14.385 3.400 1.00 0.00 H new ATOM 0 HG2 MET A 66 2.410 14.585 5.294 1.00 0.00 H new ATOM 0 HG3 MET A 66 1.249 13.812 6.355 1.00 0.00 H new ATOM 0 HE1 MET A 66 1.251 10.088 5.245 1.00 0.00 H new ATOM 0 HE2 MET A 66 0.455 11.372 6.187 1.00 0.00 H new ATOM 0 HE3 MET A 66 0.172 11.249 4.435 1.00 0.00 H new ATOM 925 N ASP A 67 1.065 17.255 6.279 1.00 0.00 N ATOM 926 CA ASP A 67 2.042 18.271 6.640 1.00 0.00 C ATOM 927 C ASP A 67 2.871 17.726 7.795 1.00 0.00 C ATOM 928 O ASP A 67 2.426 17.776 8.940 1.00 0.00 O ATOM 929 CB ASP A 67 1.393 19.614 6.998 1.00 0.00 C ATOM 930 CG ASP A 67 2.471 20.542 7.550 1.00 0.00 C ATOM 931 OD1 ASP A 67 3.562 20.615 6.936 1.00 0.00 O ATOM 932 OD2 ASP A 67 2.278 21.142 8.625 1.00 0.00 O ATOM 0 H ASP A 67 0.444 17.003 7.048 1.00 0.00 H new ATOM 0 HA ASP A 67 2.678 18.480 5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.927 20.056 6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.604 19.469 7.736 1.00 0.00 H new ATOM 937 N THR A 68 4.022 17.128 7.493 1.00 0.00 N ATOM 938 CA THR A 68 4.921 16.564 8.489 1.00 0.00 C ATOM 939 C THR A 68 6.345 16.361 7.949 1.00 0.00 C ATOM 940 O THR A 68 7.285 16.287 8.742 1.00 0.00 O ATOM 941 CB THR A 68 4.298 15.263 9.039 1.00 0.00 C ATOM 942 OG1 THR A 68 4.978 14.813 10.192 1.00 0.00 O ATOM 943 CG2 THR A 68 4.229 14.115 8.022 1.00 0.00 C ATOM 0 H THR A 68 4.358 17.022 6.536 1.00 0.00 H new ATOM 0 HA THR A 68 5.035 17.273 9.309 1.00 0.00 H new ATOM 0 HB THR A 68 3.272 15.536 9.286 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.560 13.989 10.518 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.778 13.240 8.491 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.624 14.421 7.168 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.235 13.868 7.684 1.00 0.00 H new ATOM 951 N ASP A 69 6.538 16.259 6.630 1.00 0.00 N ATOM 952 CA ASP A 69 7.848 16.069 6.020 1.00 0.00 C ATOM 953 C ASP A 69 7.754 16.582 4.595 1.00 0.00 C ATOM 954 O ASP A 69 7.031 16.011 3.774 1.00 0.00 O ATOM 955 CB ASP A 69 8.250 14.591 6.026 1.00 0.00 C ATOM 956 CG ASP A 69 9.663 14.346 5.489 1.00 0.00 C ATOM 957 OD1 ASP A 69 10.283 15.197 4.809 1.00 0.00 O ATOM 958 OD2 ASP A 69 10.190 13.252 5.792 1.00 0.00 O ATOM 0 H ASP A 69 5.777 16.307 5.952 1.00 0.00 H new ATOM 0 HA ASP A 69 8.609 16.610 6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.184 14.208 7.044 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.537 14.025 5.426 1.00 0.00 H new ATOM 963 N ILE A 70 8.414 17.702 4.313 1.00 0.00 N ATOM 964 CA ILE A 70 8.419 18.320 2.998 1.00 0.00 C ATOM 965 C ILE A 70 9.384 17.512 2.106 1.00 0.00 C ATOM 966 O ILE A 70 10.474 17.965 1.752 1.00 0.00 O ATOM 967 CB ILE A 70 8.710 19.840 3.115 1.00 0.00 C ATOM 968 CG1 ILE A 70 7.756 20.540 4.121 1.00 0.00 C ATOM 969 CG2 ILE A 70 8.570 20.504 1.734 1.00 0.00 C ATOM 970 CD1 ILE A 70 8.098 22.012 4.390 1.00 0.00 C ATOM 0 H ILE A 70 8.967 18.210 5.004 1.00 0.00 H new ATOM 0 HA ILE A 70 7.443 18.284 2.513 1.00 0.00 H new ATOM 0 HB ILE A 70 9.729 19.951 3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.736 20.479 3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.777 19.995 5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.775 21.571 1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 70 9.280 20.053 1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.556 20.359 1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.385 22.427 5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.105 22.082 4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.047 22.574 3.457 1.00 0.00 H new ATOM 982 N SER A 71 8.960 16.308 1.718 1.00 0.00 N ATOM 983 CA SER A 71 9.647 15.340 0.870 1.00 0.00 C ATOM 984 C SER A 71 9.652 15.853 -0.573 1.00 0.00 C ATOM 985 O SER A 71 9.023 15.264 -1.458 1.00 0.00 O ATOM 986 CB SER A 71 8.886 14.008 0.980 1.00 0.00 C ATOM 987 OG SER A 71 8.808 13.570 2.320 1.00 0.00 O ATOM 0 H SER A 71 8.049 15.958 2.016 1.00 0.00 H new ATOM 0 HA SER A 71 10.682 15.198 1.181 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.881 14.127 0.575 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.386 13.250 0.376 1.00 0.00 H new ATOM 0 HG SER A 71 8.318 12.722 2.359 1.00 0.00 H new ATOM 993 N GLY A 72 10.319 16.978 -0.836 1.00 0.00 N ATOM 994 CA GLY A 72 10.388 17.607 -2.145 1.00 0.00 C ATOM 995 C GLY A 72 11.795 17.741 -2.702 1.00 0.00 C ATOM 996 O GLY A 72 12.286 18.866 -2.762 1.00 0.00 O ATOM 0 H GLY A 72 10.839 17.487 -0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.786 17.028 -2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.939 18.598 -2.083 1.00 0.00 H new ATOM 1000 N PRO A 73 12.442 16.659 -3.164 1.00 0.00 N ATOM 1001 CA PRO A 73 13.782 16.713 -3.744 1.00 0.00 C ATOM 1002 C PRO A 73 13.775 17.339 -5.158 1.00 0.00 C ATOM 1003 O PRO A 73 14.633 17.036 -5.992 1.00 0.00 O ATOM 1004 CB PRO A 73 14.281 15.264 -3.716 1.00 0.00 C ATOM 1005 CG PRO A 73 12.999 14.459 -3.881 1.00 0.00 C ATOM 1006 CD PRO A 73 11.957 15.288 -3.132 1.00 0.00 C ATOM 0 HA PRO A 73 14.453 17.363 -3.182 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.989 15.065 -4.520 1.00 0.00 H new ATOM 0 HB3 PRO A 73 14.788 15.029 -2.780 1.00 0.00 H new ATOM 0 HG2 PRO A 73 12.735 14.336 -4.931 1.00 0.00 H new ATOM 0 HG3 PRO A 73 13.096 13.459 -3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.979 15.208 -3.607 1.00 0.00 H new ATOM 0 HD3 PRO A 73 11.843 14.938 -2.106 1.00 0.00 H new ATOM 1014 N SER A 74 12.764 18.142 -5.501 1.00 0.00 N ATOM 1015 CA SER A 74 12.606 18.826 -6.776 1.00 0.00 C ATOM 1016 C SER A 74 13.849 19.676 -7.052 1.00 0.00 C ATOM 1017 O SER A 74 14.400 19.624 -8.154 1.00 0.00 O ATOM 1018 CB SER A 74 11.329 19.678 -6.719 1.00 0.00 C ATOM 1019 OG SER A 74 11.202 20.311 -5.453 1.00 0.00 O ATOM 0 H SER A 74 11.996 18.339 -4.859 1.00 0.00 H new ATOM 0 HA SER A 74 12.506 18.112 -7.594 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.353 20.431 -7.507 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.458 19.050 -6.906 1.00 0.00 H new ATOM 0 HG SER A 74 10.384 20.850 -5.437 1.00 0.00 H new ATOM 1025 N SER A 75 14.289 20.402 -6.025 1.00 0.00 N ATOM 1026 CA SER A 75 15.442 21.287 -5.976 1.00 0.00 C ATOM 1027 C SER A 75 16.089 21.125 -4.590 1.00 0.00 C ATOM 1028 O SER A 75 15.598 20.355 -3.751 1.00 0.00 O ATOM 1029 CB SER A 75 14.990 22.733 -6.231 1.00 0.00 C ATOM 1030 OG SER A 75 14.252 22.832 -7.436 1.00 0.00 O ATOM 0 H SER A 75 13.801 20.381 -5.129 1.00 0.00 H new ATOM 0 HA SER A 75 16.173 21.038 -6.745 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.379 23.079 -5.397 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.861 23.386 -6.280 1.00 0.00 H new ATOM 0 HG SER A 75 13.975 23.762 -7.574 1.00 0.00 H new ATOM 1036 N GLY A 76 17.173 21.838 -4.311 1.00 0.00 N ATOM 1037 CA GLY A 76 17.902 21.800 -3.058 1.00 0.00 C ATOM 1038 C GLY A 76 19.244 22.431 -3.350 1.00 0.00 C ATOM 1039 O GLY A 76 20.259 21.813 -2.959 1.00 0.00 O ATOM 0 H GLY A 76 17.583 22.486 -4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 76 17.372 22.348 -2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 76 18.019 20.776 -2.703 1.00 0.00 H new TER 1043 GLY A 76 HETATM 1044 ZN ZN A 201 -8.565 -10.335 12.041 1.00 0.00 ZN HETATM 1045 ZN ZN A 401 -9.008 7.980 9.615 1.00 0.00 ZN