USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 590 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 66 ASN : amide:sc= -5.77! C(o=-9.1!,f=-8.1!) USER MOD Set 1.2: A 73 GLN : amide:sc= -3.29 K(o=-9.1,f=-11!) USER MOD Set 2.1: A 69 SER OG : rot -81:sc= -1.84! USER MOD Set 2.2: A 70 ASN : amide:sc= -2.3! C(o=-4.1!,f=-6.4!) USER MOD Set 3.1: A 31 THR OG1 : rot 155:sc= -7.26! USER MOD Set 3.2: A 39 GLN : amide:sc= -5.91! C(o=-13!,f=-16!) USER MOD Set 4.1: A 21 SER OG : rot 34:sc= 0.856 USER MOD Set 4.2: A 22 ASN : amide:sc= -4.51! C(o=-3.7!,f=-2.4!) USER MOD Set 5.1: A 1 GLY N :NH3+ -165:sc= -23.8! (180deg=-17.3!) USER MOD Set 5.2: A 23 ASN : amide:sc= -14.9! C(o=-39!,f=-42!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 30:sc= 0.91 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.11) USER MOD Single : A 12 ASN : amide:sc= -1.88! C(o=-1.9!,f=-3.8!) USER MOD Single : A 13 ASN : amide:sc= -2.22 K(o=-2.2,f=-3.3) USER MOD Single : A 18 ASN : amide:sc= -11.3! C(o=-11!,f=-19!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.056) USER MOD Single : A 33 SER OG : rot -23:sc= 0.812 USER MOD Single : A 34 SER OG : rot -8:sc= 0.844 USER MOD Single : A 35 SER OG : rot -73:sc= 0.982 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 150:sc= -4.11! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= -2.51! (180deg=-2.63!) USER MOD Single : A 53 THR OG1 : rot 169:sc= -9.08! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -153:sc= -0.0169 (180deg=-0.354) USER MOD Single : A 61 ASN : amide:sc= -1.86 X(o=-1.9,f=-1.5) USER MOD Single : A 71 SER OG : rot 106:sc= 0.152 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -111:sc= -0.0397 USER MOD Single : A 81 SER OG : rot -70:sc= 0.0167 USER MOD Single : A 82 SER OG : rot -61:sc= 0.983 USER MOD Single : A 83 SER OG : rot 48:sc= 1.15 USER MOD Single : A 87 GLN : amide:sc= -7.03! C(o=-7!,f=-16!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -5.75! C(o=-5.7!,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.994 -5.428 3.860 1.00 1.00 N ATOM 2 CA GLY A 1 6.613 -6.377 3.060 1.00 1.00 C ATOM 3 C GLY A 1 6.384 -7.574 3.831 1.00 1.00 C ATOM 4 O GLY A 1 7.174 -8.488 3.722 1.00 1.00 O ATOM 0 H1 GLY A 1 6.918 -4.512 3.373 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.388 -5.422 4.705 1.00 1.00 H new ATOM 0 H3 GLY A 1 7.982 -5.588 4.143 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.702 -6.086 2.537 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.373 -6.558 2.300 1.00 1.00 H new ATOM 10 N SER A 2 5.259 -7.651 4.733 1.00 1.00 N ATOM 11 CA SER A 2 5.091 -8.897 5.534 1.00 1.00 C ATOM 12 C SER A 2 4.056 -9.747 4.941 1.00 1.00 C ATOM 13 O SER A 2 4.348 -10.860 4.476 1.00 1.00 O ATOM 14 CB SER A 2 4.772 -8.562 6.987 1.00 1.00 C ATOM 15 OG SER A 2 5.380 -9.506 7.851 1.00 1.00 O ATOM 0 H SER A 2 4.558 -6.925 4.877 1.00 1.00 H new ATOM 0 HA SER A 2 6.029 -9.452 5.521 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.128 -7.559 7.223 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.693 -8.561 7.139 1.00 1.00 H new ATOM 0 HG SER A 2 5.170 -9.281 8.781 1.00 1.00 H new ATOM 21 N GLY A 3 2.885 -9.334 5.002 1.00 1.00 N ATOM 22 CA GLY A 3 1.812 -10.104 4.501 1.00 1.00 C ATOM 23 C GLY A 3 0.652 -9.216 4.143 1.00 1.00 C ATOM 24 O GLY A 3 0.713 -8.026 4.318 1.00 1.00 O ATOM 0 H GLY A 3 2.613 -8.437 5.405 1.00 1.00 H new ATOM 0 HA2 GLY A 3 2.136 -10.662 3.622 1.00 1.00 H new ATOM 0 HA3 GLY A 3 1.502 -10.836 5.247 1.00 1.00 H new ATOM 28 N PRO A 4 -0.390 -9.776 3.635 1.00 1.00 N ATOM 29 CA PRO A 4 -1.600 -9.004 3.218 1.00 1.00 C ATOM 30 C PRO A 4 -2.125 -8.273 4.224 1.00 1.00 C ATOM 31 O PRO A 4 -3.168 -8.607 4.747 1.00 1.00 O ATOM 32 CB PRO A 4 -2.587 -10.073 2.721 1.00 1.00 C ATOM 33 CG PRO A 4 -2.053 -11.370 3.310 1.00 1.00 C ATOM 34 CD PRO A 4 -0.544 -11.192 3.397 1.00 1.00 C ATOM 0 HA PRO A 4 -1.357 -8.270 2.450 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.602 -9.868 3.062 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -2.618 -10.112 1.632 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -2.482 -11.559 4.294 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.311 -12.222 2.680 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.115 -11.785 4.205 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.049 -11.502 2.477 1.00 1.00 H new ATOM 42 N THR A 5 -1.508 -7.183 4.532 1.00 1.00 N ATOM 43 CA THR A 5 -1.988 -6.362 5.490 1.00 1.00 C ATOM 44 C THR A 5 -0.942 -5.543 6.080 1.00 1.00 C ATOM 45 O THR A 5 -1.262 -4.695 6.746 1.00 1.00 O ATOM 46 CB THR A 5 -2.636 -7.108 6.708 1.00 1.00 C ATOM 47 OG1 THR A 5 -2.549 -6.280 7.885 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.904 -8.529 7.020 1.00 1.00 C ATOM 0 H THR A 5 -0.643 -6.868 4.093 1.00 1.00 H new ATOM 0 HA THR A 5 -2.735 -5.775 4.956 1.00 1.00 H new ATOM 0 HB THR A 5 -3.675 -7.308 6.447 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.570 -5.336 7.623 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.388 -9.008 7.871 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.981 -9.177 6.147 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.853 -8.354 7.251 1.00 1.00 H new ATOM 56 N TYR A 6 0.504 -6.003 6.005 1.00 1.00 N ATOM 57 CA TYR A 6 1.508 -5.311 6.801 1.00 1.00 C ATOM 58 C TYR A 6 1.313 -4.101 7.014 1.00 1.00 C ATOM 59 O TYR A 6 1.812 -3.550 8.018 1.00 1.00 O ATOM 60 CB TYR A 6 2.929 -5.467 6.440 1.00 1.00 C ATOM 61 CG TYR A 6 3.795 -5.153 7.916 1.00 1.00 C ATOM 62 CD1 TYR A 6 3.917 -6.174 8.896 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.357 -3.877 8.219 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.587 -5.928 10.101 1.00 1.00 C ATOM 65 CE2 TYR A 6 5.021 -3.662 9.432 1.00 1.00 C ATOM 66 CZ TYR A 6 5.137 -4.682 10.359 1.00 1.00 C ATOM 67 OH TYR A 6 5.796 -4.455 11.552 1.00 1.00 O ATOM 0 H TYR A 6 0.848 -6.774 5.433 1.00 1.00 H new ATOM 0 HA TYR A 6 1.336 -5.886 7.711 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.135 -6.470 6.065 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.217 -4.768 5.655 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.489 -7.148 8.710 1.00 1.00 H new ATOM 0 HD2 TYR A 6 4.269 -3.070 7.506 1.00 1.00 H new ATOM 0 HE1 TYR A 6 4.676 -6.715 10.835 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.446 -2.692 9.646 1.00 1.00 H new ATOM 0 HH TYR A 6 6.123 -3.531 11.575 1.00 1.00 H new ATOM 77 N CYS A 7 0.569 -3.513 6.201 1.00 1.00 N ATOM 78 CA CYS A 7 0.300 -2.257 6.422 1.00 1.00 C ATOM 79 C CYS A 7 1.443 -1.372 6.670 1.00 1.00 C ATOM 80 O CYS A 7 1.344 -0.490 7.535 1.00 1.00 O ATOM 81 CB CYS A 7 -0.553 -2.200 7.632 1.00 1.00 C ATOM 82 SG CYS A 7 -1.288 -0.483 7.802 1.00 1.00 S ATOM 0 H CYS A 7 0.146 -3.926 5.370 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.161 -1.895 5.503 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.348 -2.942 7.564 1.00 1.00 H new ATOM 0 HB3 CYS A 7 0.036 -2.444 8.516 1.00 1.00 H new ATOM 87 N TRP A 8 2.483 -1.535 5.963 1.00 1.00 N ATOM 88 CA TRP A 8 3.673 -0.564 6.156 1.00 1.00 C ATOM 89 C TRP A 8 3.060 0.665 6.545 1.00 1.00 C ATOM 90 O TRP A 8 2.345 1.199 5.726 1.00 1.00 O ATOM 91 CB TRP A 8 4.321 -0.352 4.862 1.00 1.00 C ATOM 92 CG TRP A 8 5.566 0.606 4.929 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.805 1.726 4.120 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.757 0.504 5.806 1.00 1.00 C ATOM 95 NE1 TRP A 8 7.031 2.231 4.408 1.00 1.00 N ATOM 96 CE2 TRP A 8 7.654 1.541 5.467 1.00 1.00 C ATOM 97 CE3 TRP A 8 7.146 -0.390 6.858 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.876 1.693 6.131 1.00 1.00 C ATOM 99 CZ3 TRP A 8 8.373 -0.219 7.515 1.00 1.00 C ATOM 100 CH2 TRP A 8 9.229 0.820 7.154 1.00 1.00 C ATOM 0 H TRP A 8 2.614 -2.264 5.261 1.00 1.00 H new ATOM 0 HA TRP A 8 4.407 -0.932 6.872 1.00 1.00 H new ATOM 0 HB2 TRP A 8 4.636 -1.315 4.461 1.00 1.00 H new ATOM 0 HB3 TRP A 8 3.593 0.061 4.164 1.00 1.00 H new ATOM 0 HD1 TRP A 8 5.122 2.124 3.384 1.00 1.00 H new ATOM 0 HE1 TRP A 8 7.453 3.018 3.915 1.00 1.00 H new ATOM 0 HE3 TRP A 8 6.491 -1.199 7.146 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 9.547 2.491 5.848 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 8.657 -0.897 8.306 1.00 1.00 H new ATOM 0 HH2 TRP A 8 10.169 0.947 7.670 1.00 1.00 H new ATOM 111 N ASN A 9 3.144 1.124 7.810 1.00 1.00 N ATOM 112 CA ASN A 9 2.377 2.290 8.201 1.00 1.00 C ATOM 113 C ASN A 9 1.973 3.113 7.102 1.00 1.00 C ATOM 114 O ASN A 9 0.790 3.437 6.960 1.00 1.00 O ATOM 115 CB ASN A 9 3.113 3.116 9.264 1.00 1.00 C ATOM 116 CG ASN A 9 3.368 2.261 10.498 1.00 1.00 C ATOM 117 OD1 ASN A 9 2.426 1.795 11.136 1.00 1.00 O ATOM 118 ND2 ASN A 9 4.593 2.025 10.873 1.00 1.00 N ATOM 0 H ASN A 9 3.719 0.712 8.545 1.00 1.00 H new ATOM 0 HA ASN A 9 1.458 1.899 8.637 1.00 1.00 H new ATOM 0 HB2 ASN A 9 4.058 3.482 8.863 1.00 1.00 H new ATOM 0 HB3 ASN A 9 2.520 3.990 9.533 1.00 1.00 H new ATOM 0 HD21 ASN A 9 4.773 1.452 11.698 1.00 1.00 H new ATOM 0 HD22 ASN A 9 5.373 2.413 10.342 1.00 1.00 H new ATOM 125 N GLU A 10 2.899 3.476 6.312 1.00 1.00 N ATOM 126 CA GLU A 10 2.624 4.292 5.207 1.00 1.00 C ATOM 127 C GLU A 10 1.831 5.409 5.682 1.00 1.00 C ATOM 128 O GLU A 10 0.607 5.427 5.485 1.00 1.00 O ATOM 129 CB GLU A 10 1.754 3.584 4.093 1.00 1.00 C ATOM 130 CG GLU A 10 2.576 2.829 3.231 1.00 1.00 C ATOM 131 CD GLU A 10 1.731 2.168 2.145 1.00 1.00 C ATOM 132 OE1 GLU A 10 0.689 2.711 1.824 1.00 1.00 O ATOM 133 OE2 GLU A 10 2.138 1.132 1.652 1.00 1.00 O ATOM 0 H GLU A 10 3.879 3.213 6.415 1.00 1.00 H new ATOM 0 HA GLU A 10 3.583 4.569 4.769 1.00 1.00 H new ATOM 0 HB2 GLU A 10 1.013 2.935 4.560 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.207 4.333 3.520 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.328 3.474 2.776 1.00 1.00 H new ATOM 0 HG3 GLU A 10 3.111 2.068 3.800 1.00 1.00 H new ATOM 140 N ALA A 11 2.415 6.340 6.221 1.00 1.00 N ATOM 141 CA ALA A 11 1.774 7.449 6.637 1.00 1.00 C ATOM 142 C ALA A 11 2.871 8.147 7.365 1.00 1.00 C ATOM 143 O ALA A 11 3.297 7.658 8.396 1.00 1.00 O ATOM 144 CB ALA A 11 0.602 7.165 7.530 1.00 1.00 C ATOM 0 H ALA A 11 3.420 6.350 6.396 1.00 1.00 H new ATOM 0 HA ALA A 11 1.322 8.019 5.825 1.00 1.00 H new ATOM 0 HB1 ALA A 11 0.134 8.104 7.826 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -0.123 6.551 6.995 1.00 1.00 H new ATOM 0 HB3 ALA A 11 0.942 6.633 8.419 1.00 1.00 H new ATOM 150 N ASN A 12 3.296 9.238 6.869 1.00 1.00 N ATOM 151 CA ASN A 12 4.414 10.072 7.487 1.00 1.00 C ATOM 152 C ASN A 12 5.284 10.834 6.323 1.00 1.00 C ATOM 153 O ASN A 12 6.499 10.955 6.415 1.00 1.00 O ATOM 154 CB ASN A 12 5.338 9.164 8.360 1.00 1.00 C ATOM 155 CG ASN A 12 6.718 9.788 8.585 1.00 1.00 C ATOM 156 OD1 ASN A 12 7.739 9.136 8.355 1.00 1.00 O ATOM 157 ND2 ASN A 12 6.809 11.017 9.024 1.00 1.00 N ATOM 0 H ASN A 12 2.917 9.641 6.012 1.00 1.00 H new ATOM 0 HA ASN A 12 3.967 10.834 8.125 1.00 1.00 H new ATOM 0 HB2 ASN A 12 4.861 8.984 9.324 1.00 1.00 H new ATOM 0 HB3 ASN A 12 5.454 8.195 7.875 1.00 1.00 H new ATOM 0 HD21 ASN A 12 7.726 11.437 9.177 1.00 1.00 H new ATOM 0 HD22 ASN A 12 5.963 11.555 9.214 1.00 1.00 H new ATOM 164 N ASN A 13 4.575 11.426 5.326 1.00 1.00 N ATOM 165 CA ASN A 13 5.208 12.245 4.289 1.00 1.00 C ATOM 166 C ASN A 13 4.160 12.676 3.188 1.00 1.00 C ATOM 167 O ASN A 13 3.101 12.068 3.060 1.00 1.00 O ATOM 168 CB ASN A 13 6.382 11.515 3.623 1.00 1.00 C ATOM 169 CG ASN A 13 7.646 12.415 3.550 1.00 1.00 C ATOM 170 OD1 ASN A 13 8.070 12.805 2.462 1.00 1.00 O ATOM 171 ND2 ASN A 13 8.259 12.755 4.655 1.00 1.00 N ATOM 0 H ASN A 13 3.563 11.344 5.229 1.00 1.00 H new ATOM 0 HA ASN A 13 5.594 13.136 4.784 1.00 1.00 H new ATOM 0 HB2 ASN A 13 6.612 10.608 4.182 1.00 1.00 H new ATOM 0 HB3 ASN A 13 6.096 11.206 2.618 1.00 1.00 H new ATOM 0 HD21 ASN A 13 9.090 13.345 4.616 1.00 1.00 H new ATOM 0 HD22 ASN A 13 7.905 12.430 5.555 1.00 1.00 H new ATOM 178 N PRO A 14 4.484 13.720 2.392 1.00 1.00 N ATOM 179 CA PRO A 14 3.605 14.227 1.280 1.00 1.00 C ATOM 180 C PRO A 14 3.874 13.529 -0.086 1.00 1.00 C ATOM 181 O PRO A 14 2.943 13.302 -0.858 1.00 1.00 O ATOM 182 CB PRO A 14 3.937 15.737 1.210 1.00 1.00 C ATOM 183 CG PRO A 14 5.077 15.920 2.193 1.00 1.00 C ATOM 184 CD PRO A 14 5.644 14.514 2.475 1.00 1.00 C ATOM 0 HA PRO A 14 2.553 14.020 1.479 1.00 1.00 H new ATOM 0 HB2 PRO A 14 4.230 16.033 0.203 1.00 1.00 H new ATOM 0 HB3 PRO A 14 3.075 16.346 1.483 1.00 1.00 H new ATOM 0 HG2 PRO A 14 5.846 16.572 1.778 1.00 1.00 H new ATOM 0 HG3 PRO A 14 4.725 16.388 3.112 1.00 1.00 H new ATOM 0 HD2 PRO A 14 6.395 14.220 1.742 1.00 1.00 H new ATOM 0 HD3 PRO A 14 6.115 14.451 3.456 1.00 1.00 H new ATOM 192 N GLY A 15 5.091 13.182 -0.345 1.00 1.00 N ATOM 193 CA GLY A 15 5.425 12.469 -1.632 1.00 1.00 C ATOM 194 C GLY A 15 4.562 11.283 -1.711 1.00 1.00 C ATOM 195 O GLY A 15 3.867 11.002 -2.685 1.00 1.00 O ATOM 0 H GLY A 15 5.886 13.354 0.271 1.00 1.00 H new ATOM 0 HA2 GLY A 15 5.259 13.123 -2.488 1.00 1.00 H new ATOM 0 HA3 GLY A 15 6.476 12.181 -1.650 1.00 1.00 H new ATOM 199 N GLY A 16 4.642 10.659 -0.701 1.00 1.00 N ATOM 200 CA GLY A 16 3.946 9.462 -0.420 1.00 1.00 C ATOM 201 C GLY A 16 3.771 9.420 1.006 1.00 1.00 C ATOM 202 O GLY A 16 3.911 10.434 1.650 1.00 1.00 O ATOM 0 H GLY A 16 5.243 10.953 0.069 1.00 1.00 H new ATOM 0 HA2 GLY A 16 2.983 9.444 -0.930 1.00 1.00 H new ATOM 0 HA3 GLY A 16 4.508 8.595 -0.768 1.00 1.00 H new ATOM 206 N PRO A 17 3.487 8.315 1.579 1.00 1.00 N ATOM 207 CA PRO A 17 3.311 8.234 3.062 1.00 1.00 C ATOM 208 C PRO A 17 4.610 8.422 3.595 1.00 1.00 C ATOM 209 O PRO A 17 5.365 9.132 2.993 1.00 1.00 O ATOM 210 CB PRO A 17 2.846 6.770 3.183 1.00 1.00 C ATOM 211 CG PRO A 17 2.328 6.452 1.890 1.00 1.00 C ATOM 212 CD PRO A 17 3.290 7.053 0.978 1.00 1.00 C ATOM 0 HA PRO A 17 2.638 8.935 3.555 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.672 6.112 3.453 1.00 1.00 H new ATOM 0 HB3 PRO A 17 2.084 6.658 3.955 1.00 1.00 H new ATOM 0 HG2 PRO A 17 2.254 5.375 1.742 1.00 1.00 H new ATOM 0 HG3 PRO A 17 1.329 6.863 1.746 1.00 1.00 H new ATOM 0 HD2 PRO A 17 4.214 6.478 0.917 1.00 1.00 H new ATOM 0 HD3 PRO A 17 2.899 7.137 -0.036 1.00 1.00 H new ATOM 220 N ASN A 18 4.987 7.729 4.766 1.00 1.00 N ATOM 221 CA ASN A 18 6.369 7.834 5.251 1.00 1.00 C ATOM 222 C ASN A 18 7.304 7.807 4.000 1.00 1.00 C ATOM 223 O ASN A 18 8.518 7.962 4.096 1.00 1.00 O ATOM 224 CB ASN A 18 6.757 6.569 6.185 1.00 1.00 C ATOM 225 CG ASN A 18 5.548 5.730 6.506 1.00 1.00 C ATOM 226 OD1 ASN A 18 4.609 6.207 7.095 1.00 1.00 O ATOM 227 ND2 ASN A 18 5.535 4.477 6.163 1.00 1.00 N ATOM 0 H ASN A 18 4.368 7.142 5.326 1.00 1.00 H new ATOM 0 HA ASN A 18 6.477 8.749 5.834 1.00 1.00 H new ATOM 0 HB2 ASN A 18 7.503 5.956 5.678 1.00 1.00 H new ATOM 0 HB3 ASN A 18 7.211 6.924 7.110 1.00 1.00 H new ATOM 0 HD21 ASN A 18 4.730 3.894 6.391 1.00 1.00 H new ATOM 0 HD22 ASN A 18 6.330 4.076 5.665 1.00 1.00 H new ATOM 234 N ARG A 19 6.588 7.509 2.796 1.00 1.00 N ATOM 235 CA ARG A 19 7.120 7.361 1.546 1.00 1.00 C ATOM 236 C ARG A 19 7.491 6.085 1.509 1.00 1.00 C ATOM 237 O ARG A 19 8.480 5.746 2.045 1.00 1.00 O ATOM 238 CB ARG A 19 8.251 8.418 1.226 1.00 1.00 C ATOM 239 CG ARG A 19 7.581 9.633 0.540 1.00 1.00 C ATOM 240 CD ARG A 19 7.537 9.414 -1.036 1.00 1.00 C ATOM 241 NE ARG A 19 8.668 10.100 -1.670 1.00 1.00 N ATOM 242 CZ ARG A 19 8.615 10.483 -2.948 1.00 1.00 C ATOM 243 NH1 ARG A 19 7.547 10.238 -3.661 1.00 1.00 N ATOM 244 NH2 ARG A 19 9.631 11.100 -3.486 1.00 1.00 N ATOM 0 H ARG A 19 5.576 7.381 2.798 1.00 1.00 H new ATOM 0 HA ARG A 19 6.412 7.575 0.745 1.00 1.00 H new ATOM 0 HB2 ARG A 19 8.756 8.726 2.141 1.00 1.00 H new ATOM 0 HB3 ARG A 19 9.009 7.982 0.575 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.570 9.766 0.925 1.00 1.00 H new ATOM 0 HG3 ARG A 19 8.134 10.543 0.773 1.00 1.00 H new ATOM 0 HD2 ARG A 19 7.573 8.349 -1.264 1.00 1.00 H new ATOM 0 HD3 ARG A 19 6.598 9.795 -1.438 1.00 1.00 H new ATOM 0 HE ARG A 19 9.510 10.288 -1.125 1.00 1.00 H new ATOM 0 HH11 ARG A 19 6.753 9.754 -3.241 1.00 1.00 H new ATOM 0 HH12 ARG A 19 7.507 10.531 -4.637 1.00 1.00 H new ATOM 0 HH21 ARG A 19 10.465 11.289 -2.930 1.00 1.00 H new ATOM 0 HH22 ARG A 19 9.591 11.393 -4.462 1.00 1.00 H new ATOM 258 N CYS A 20 6.512 5.195 0.784 1.00 1.00 N ATOM 259 CA CYS A 20 6.693 3.702 0.633 1.00 1.00 C ATOM 260 C CYS A 20 8.167 3.628 1.030 1.00 1.00 C ATOM 261 O CYS A 20 8.978 4.314 0.407 1.00 1.00 O ATOM 262 CB CYS A 20 6.358 3.310 -0.868 1.00 1.00 C ATOM 263 SG CYS A 20 6.273 1.423 -1.299 1.00 1.00 S ATOM 0 H CYS A 20 5.660 5.547 0.347 1.00 1.00 H new ATOM 0 HA CYS A 20 6.069 3.020 1.210 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.399 3.758 -1.127 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.109 3.769 -1.512 1.00 1.00 H new ATOM 268 N SER A 21 8.500 2.971 2.059 1.00 1.00 N ATOM 269 CA SER A 21 9.975 3.068 2.564 1.00 1.00 C ATOM 270 C SER A 21 10.677 1.778 3.000 1.00 1.00 C ATOM 271 O SER A 21 11.780 1.842 3.529 1.00 1.00 O ATOM 272 CB SER A 21 9.943 4.068 3.737 1.00 1.00 C ATOM 273 OG SER A 21 11.002 3.782 4.646 1.00 1.00 O ATOM 0 H SER A 21 7.882 2.369 2.604 1.00 1.00 H new ATOM 0 HA SER A 21 10.576 3.371 1.707 1.00 1.00 H new ATOM 0 HB2 SER A 21 10.040 5.086 3.361 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.984 4.008 4.252 1.00 1.00 H new ATOM 0 HG SER A 21 11.780 3.452 4.149 1.00 1.00 H new ATOM 279 N ASN A 22 10.127 0.686 2.752 1.00 1.00 N ATOM 280 CA ASN A 22 10.805 -0.587 3.106 1.00 1.00 C ATOM 281 C ASN A 22 10.235 -1.635 2.361 1.00 1.00 C ATOM 282 O ASN A 22 9.251 -1.459 1.724 1.00 1.00 O ATOM 283 CB ASN A 22 10.665 -0.884 4.613 1.00 1.00 C ATOM 284 CG ASN A 22 11.828 -0.252 5.409 1.00 1.00 C ATOM 285 OD1 ASN A 22 12.807 -0.929 5.716 1.00 1.00 O ATOM 286 ND2 ASN A 22 11.767 1.005 5.758 1.00 1.00 N ATOM 0 H ASN A 22 9.214 0.582 2.309 1.00 1.00 H new ATOM 0 HA ASN A 22 11.866 -0.497 2.873 1.00 1.00 H new ATOM 0 HB2 ASN A 22 9.715 -0.494 4.978 1.00 1.00 H new ATOM 0 HB3 ASN A 22 10.651 -1.962 4.776 1.00 1.00 H new ATOM 0 HD21 ASN A 22 12.532 1.426 6.286 1.00 1.00 H new ATOM 0 HD22 ASN A 22 10.954 1.566 5.503 1.00 1.00 H new ATOM 293 N ASN A 23 10.816 -2.809 2.460 1.00 1.00 N ATOM 294 CA ASN A 23 10.263 -3.892 1.784 1.00 1.00 C ATOM 295 C ASN A 23 9.883 -3.501 0.299 1.00 1.00 C ATOM 296 O ASN A 23 8.740 -3.632 -0.116 1.00 1.00 O ATOM 297 CB ASN A 23 9.005 -4.371 2.629 1.00 1.00 C ATOM 298 CG ASN A 23 8.581 -3.341 3.760 1.00 1.00 C ATOM 299 OD1 ASN A 23 8.015 -2.301 3.493 1.00 1.00 O ATOM 300 ND2 ASN A 23 8.843 -3.625 4.998 1.00 1.00 N ATOM 0 H ASN A 23 11.658 -3.008 3.001 1.00 1.00 H new ATOM 0 HA ASN A 23 10.979 -4.709 1.695 1.00 1.00 H new ATOM 0 HB2 ASN A 23 8.162 -4.529 1.956 1.00 1.00 H new ATOM 0 HB3 ASN A 23 9.230 -5.333 3.089 1.00 1.00 H new ATOM 0 HD21 ASN A 23 8.574 -2.977 5.738 1.00 1.00 H new ATOM 0 HD22 ASN A 23 9.318 -4.497 5.232 1.00 1.00 H new ATOM 307 N LYS A 24 10.907 -2.893 -0.420 1.00 1.00 N ATOM 308 CA LYS A 24 10.770 -2.326 -1.795 1.00 1.00 C ATOM 309 C LYS A 24 10.176 -0.994 -1.685 1.00 1.00 C ATOM 310 O LYS A 24 10.037 -0.306 -2.670 1.00 1.00 O ATOM 311 CB LYS A 24 9.968 -3.155 -2.758 1.00 1.00 C ATOM 312 CG LYS A 24 10.629 -4.475 -3.049 1.00 1.00 C ATOM 313 CD LYS A 24 9.619 -5.407 -3.888 1.00 1.00 C ATOM 314 CE LYS A 24 10.226 -5.778 -5.278 1.00 1.00 C ATOM 315 NZ LYS A 24 10.175 -4.590 -6.172 1.00 1.00 N ATOM 0 H LYS A 24 11.849 -2.791 -0.043 1.00 1.00 H new ATOM 0 HA LYS A 24 11.775 -2.302 -2.216 1.00 1.00 H new ATOM 0 HB2 LYS A 24 8.974 -3.330 -2.346 1.00 1.00 H new ATOM 0 HB3 LYS A 24 9.835 -2.603 -3.688 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.548 -4.317 -3.613 1.00 1.00 H new ATOM 0 HG3 LYS A 24 10.907 -4.968 -2.117 1.00 1.00 H new ATOM 0 HD2 LYS A 24 9.405 -6.316 -3.326 1.00 1.00 H new ATOM 0 HD3 LYS A 24 8.671 -4.888 -4.028 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.256 -6.114 -5.159 1.00 1.00 H new ATOM 0 HE3 LYS A 24 9.670 -6.604 -5.721 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 10.579 -4.835 -7.098 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 9.187 -4.289 -6.294 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 10.724 -3.814 -5.750 1.00 1.00 H new ATOM 329 N GLN A 25 9.846 -0.658 -0.440 1.00 1.00 N ATOM 330 CA GLN A 25 9.264 0.561 -0.040 1.00 1.00 C ATOM 331 C GLN A 25 7.956 0.331 0.506 1.00 1.00 C ATOM 332 O GLN A 25 7.436 1.210 1.103 1.00 1.00 O ATOM 333 CB GLN A 25 9.243 1.632 -1.117 1.00 1.00 C ATOM 334 CG GLN A 25 10.637 2.263 -1.233 1.00 1.00 C ATOM 335 CD GLN A 25 10.987 2.572 -2.696 1.00 1.00 C ATOM 336 OE1 GLN A 25 12.127 2.386 -3.113 1.00 1.00 O ATOM 337 NE2 GLN A 25 10.066 3.034 -3.492 1.00 1.00 N ATOM 0 H GLN A 25 10.000 -1.291 0.345 1.00 1.00 H new ATOM 0 HA GLN A 25 9.912 0.967 0.736 1.00 1.00 H new ATOM 0 HB2 GLN A 25 8.947 1.198 -2.072 1.00 1.00 H new ATOM 0 HB3 GLN A 25 8.505 2.396 -0.872 1.00 1.00 H new ATOM 0 HG2 GLN A 25 10.674 3.181 -0.646 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.381 1.586 -0.813 1.00 1.00 H new ATOM 0 HE21 GLN A 25 9.120 3.187 -3.143 1.00 1.00 H new ATOM 0 HE22 GLN A 25 10.290 3.242 -4.465 1.00 1.00 H new ATOM 346 N CYS A 26 7.339 -0.885 0.370 1.00 1.00 N ATOM 347 CA CYS A 26 5.968 -1.035 1.021 1.00 1.00 C ATOM 348 C CYS A 26 5.975 -2.179 1.890 1.00 1.00 C ATOM 349 O CYS A 26 6.783 -2.993 1.730 1.00 1.00 O ATOM 350 CB CYS A 26 4.977 -1.181 -0.074 1.00 1.00 C ATOM 351 SG CYS A 26 4.479 0.587 -0.670 1.00 1.00 S ATOM 0 H CYS A 26 7.705 -1.699 -0.123 1.00 1.00 H new ATOM 0 HA CYS A 26 5.711 -0.168 1.630 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.401 -1.755 -0.898 1.00 1.00 H new ATOM 0 HB3 CYS A 26 4.100 -1.726 0.276 1.00 1.00 H new ATOM 356 N ASP A 27 5.088 -2.308 2.739 1.00 1.00 N ATOM 357 CA ASP A 27 4.959 -3.444 3.603 1.00 1.00 C ATOM 358 C ASP A 27 3.672 -3.927 3.330 1.00 1.00 C ATOM 359 O ASP A 27 2.777 -3.180 2.933 1.00 1.00 O ATOM 360 CB ASP A 27 5.241 -3.134 5.160 1.00 1.00 C ATOM 361 CG ASP A 27 5.780 -4.364 5.913 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.387 -5.444 5.588 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.584 -4.174 6.813 1.00 1.00 O ATOM 0 H ASP A 27 4.367 -1.603 2.892 1.00 1.00 H new ATOM 0 HA ASP A 27 5.725 -4.194 3.406 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.959 -2.318 5.241 1.00 1.00 H new ATOM 0 HB3 ASP A 27 4.319 -2.796 5.634 1.00 1.00 H new ATOM 368 N GLY A 28 3.553 -5.228 3.398 1.00 1.00 N ATOM 369 CA GLY A 28 2.415 -5.900 3.035 1.00 1.00 C ATOM 370 C GLY A 28 2.800 -7.295 2.261 1.00 1.00 C ATOM 371 O GLY A 28 2.012 -7.821 1.582 1.00 1.00 O ATOM 0 H GLY A 28 4.301 -5.839 3.727 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.817 -6.120 3.919 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.805 -5.272 2.385 1.00 1.00 H new ATOM 375 N ALA A 29 4.070 -7.839 2.511 1.00 1.00 N ATOM 376 CA ALA A 29 4.563 -9.170 1.936 1.00 1.00 C ATOM 377 C ALA A 29 6.025 -9.156 1.471 1.00 1.00 C ATOM 378 O ALA A 29 6.679 -10.198 1.495 1.00 1.00 O ATOM 379 CB ALA A 29 3.630 -9.716 0.800 1.00 1.00 C ATOM 0 H ALA A 29 4.760 -7.376 3.102 1.00 1.00 H new ATOM 0 HA ALA A 29 4.516 -9.857 2.781 1.00 1.00 H new ATOM 0 HB1 ALA A 29 4.025 -10.661 0.427 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.627 -9.873 1.197 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.588 -8.994 -0.015 1.00 1.00 H new ATOM 385 N ARG A 30 6.499 -8.044 0.944 1.00 1.00 N ATOM 386 CA ARG A 30 7.917 -8.053 0.344 1.00 1.00 C ATOM 387 C ARG A 30 8.993 -8.887 1.259 1.00 1.00 C ATOM 388 O ARG A 30 8.717 -9.421 2.319 1.00 1.00 O ATOM 389 CB ARG A 30 8.530 -6.521 -0.178 1.00 1.00 C ATOM 390 CG ARG A 30 7.583 -5.865 -1.108 1.00 1.00 C ATOM 391 CD ARG A 30 6.451 -4.993 -0.430 1.00 1.00 C ATOM 392 NE ARG A 30 6.497 -3.674 -1.007 1.00 1.00 N ATOM 393 CZ ARG A 30 6.503 -3.468 -2.391 1.00 1.00 C ATOM 394 NH1 ARG A 30 6.457 -4.480 -3.205 1.00 1.00 N ATOM 395 NH2 ARG A 30 6.576 -2.256 -2.874 1.00 1.00 N ATOM 0 H ARG A 30 6.002 -7.155 0.895 1.00 1.00 H new ATOM 0 HA ARG A 30 7.788 -8.605 -0.587 1.00 1.00 H new ATOM 0 HB2 ARG A 30 8.701 -5.879 0.686 1.00 1.00 H new ATOM 0 HB3 ARG A 30 9.493 -6.658 -0.669 1.00 1.00 H new ATOM 0 HG2 ARG A 30 8.151 -5.227 -1.786 1.00 1.00 H new ATOM 0 HG3 ARG A 30 7.108 -6.634 -1.717 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.473 -5.446 -0.593 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.604 -4.943 0.648 1.00 1.00 H new ATOM 0 HE ARG A 30 6.526 -2.865 -0.387 1.00 1.00 H new ATOM 0 HH11 ARG A 30 6.416 -5.430 -2.836 1.00 1.00 H new ATOM 0 HH12 ARG A 30 6.462 -4.324 -4.213 1.00 1.00 H new ATOM 0 HH21 ARG A 30 6.629 -1.457 -2.242 1.00 1.00 H new ATOM 0 HH22 ARG A 30 6.580 -2.109 -3.883 1.00 1.00 H new ATOM 409 N THR A 31 10.080 -8.994 0.672 1.00 1.00 N ATOM 410 CA THR A 31 11.173 -9.692 1.050 1.00 1.00 C ATOM 411 C THR A 31 12.368 -8.947 0.819 1.00 1.00 C ATOM 412 O THR A 31 12.439 -8.412 -0.127 1.00 1.00 O ATOM 413 CB THR A 31 11.188 -10.843 -0.032 1.00 1.00 C ATOM 414 OG1 THR A 31 11.464 -10.372 -1.297 1.00 1.00 O ATOM 415 CG2 THR A 31 9.813 -11.509 -0.038 1.00 1.00 C ATOM 0 H THR A 31 10.236 -8.519 -0.217 1.00 1.00 H new ATOM 0 HA THR A 31 11.138 -9.981 2.100 1.00 1.00 H new ATOM 0 HB THR A 31 11.976 -11.548 0.232 1.00 1.00 H new ATOM 0 HG1 THR A 31 11.844 -11.094 -1.839 1.00 1.00 H new ATOM 0 HG21 THR A 31 9.799 -12.308 -0.779 1.00 1.00 H new ATOM 0 HG22 THR A 31 9.606 -11.924 0.948 1.00 1.00 H new ATOM 0 HG23 THR A 31 9.052 -10.770 -0.288 1.00 1.00 H new ATOM 423 N CYS A 32 13.300 -8.830 1.672 1.00 1.00 N ATOM 424 CA CYS A 32 14.537 -7.899 1.252 1.00 1.00 C ATOM 425 C CYS A 32 15.470 -8.612 0.368 1.00 1.00 C ATOM 426 O CYS A 32 15.220 -9.710 -0.091 1.00 1.00 O ATOM 427 CB CYS A 32 15.260 -7.138 2.518 1.00 1.00 C ATOM 428 SG CYS A 32 16.567 -5.994 1.997 1.00 1.00 S ATOM 0 H CYS A 32 13.342 -9.266 2.593 1.00 1.00 H new ATOM 0 HA CYS A 32 14.124 -7.078 0.666 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.507 -6.589 3.084 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.683 -7.884 3.191 1.00 1.00 H new ATOM 433 N SER A 33 16.524 -7.999 0.170 1.00 1.00 N ATOM 434 CA SER A 33 17.614 -8.625 -0.711 1.00 1.00 C ATOM 435 C SER A 33 18.334 -9.643 0.070 1.00 1.00 C ATOM 436 O SER A 33 19.236 -10.343 -0.389 1.00 1.00 O ATOM 437 CB SER A 33 18.450 -7.658 -1.355 1.00 1.00 C ATOM 438 OG SER A 33 19.545 -8.311 -1.990 1.00 1.00 O ATOM 0 H SER A 33 16.746 -7.080 0.552 1.00 1.00 H new ATOM 0 HA SER A 33 17.145 -9.130 -1.556 1.00 1.00 H new ATOM 0 HB2 SER A 33 17.873 -7.098 -2.091 1.00 1.00 H new ATOM 0 HB3 SER A 33 18.819 -6.938 -0.624 1.00 1.00 H new ATOM 0 HG SER A 33 19.703 -9.177 -1.560 1.00 1.00 H new ATOM 444 N SER A 34 17.841 -9.758 1.165 1.00 1.00 N ATOM 445 CA SER A 34 18.146 -10.672 2.175 1.00 1.00 C ATOM 446 C SER A 34 16.722 -11.348 2.609 1.00 1.00 C ATOM 447 O SER A 34 16.653 -12.032 3.624 1.00 1.00 O ATOM 448 CB SER A 34 18.747 -9.937 3.319 1.00 1.00 C ATOM 449 OG SER A 34 18.781 -10.777 4.469 1.00 1.00 O ATOM 0 H SER A 34 17.091 -9.131 1.457 1.00 1.00 H new ATOM 0 HA SER A 34 18.856 -11.434 1.852 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.756 -9.612 3.065 1.00 1.00 H new ATOM 0 HB3 SER A 34 18.167 -9.039 3.531 1.00 1.00 H new ATOM 0 HG SER A 34 18.290 -11.605 4.284 1.00 1.00 H new ATOM 455 N SER A 35 15.565 -11.130 1.737 1.00 1.00 N ATOM 456 CA SER A 35 14.310 -11.670 1.979 1.00 1.00 C ATOM 457 C SER A 35 13.740 -11.097 3.128 1.00 1.00 C ATOM 458 O SER A 35 12.580 -11.336 3.467 1.00 1.00 O ATOM 459 CB SER A 35 14.378 -13.123 2.116 1.00 1.00 C ATOM 460 OG SER A 35 14.759 -13.475 3.443 1.00 1.00 O ATOM 0 H SER A 35 15.607 -10.563 0.890 1.00 1.00 H new ATOM 0 HA SER A 35 13.676 -11.441 1.122 1.00 1.00 H new ATOM 0 HB2 SER A 35 13.410 -13.564 1.879 1.00 1.00 H new ATOM 0 HB3 SER A 35 15.096 -13.529 1.404 1.00 1.00 H new ATOM 0 HG SER A 35 15.708 -13.272 3.576 1.00 1.00 H new ATOM 466 N GLY A 36 14.555 -10.319 3.776 1.00 1.00 N ATOM 467 CA GLY A 36 14.162 -9.671 4.944 1.00 1.00 C ATOM 468 C GLY A 36 12.847 -9.075 4.709 1.00 1.00 C ATOM 469 O GLY A 36 11.853 -9.559 5.216 1.00 1.00 O ATOM 0 H GLY A 36 15.515 -10.129 3.488 1.00 1.00 H new ATOM 0 HA2 GLY A 36 14.118 -10.376 5.775 1.00 1.00 H new ATOM 0 HA3 GLY A 36 14.886 -8.903 5.216 1.00 1.00 H new ATOM 473 N PHE A 37 12.839 -8.037 3.924 1.00 1.00 N ATOM 474 CA PHE A 37 11.717 -7.376 3.598 1.00 1.00 C ATOM 475 C PHE A 37 12.149 -6.116 2.852 1.00 1.00 C ATOM 476 O PHE A 37 12.212 -5.067 3.455 1.00 1.00 O ATOM 477 CB PHE A 37 10.854 -6.997 4.937 1.00 1.00 C ATOM 478 CG PHE A 37 11.716 -6.228 5.977 1.00 1.00 C ATOM 479 CD1 PHE A 37 12.487 -6.932 6.931 1.00 1.00 C ATOM 480 CD2 PHE A 37 11.730 -4.813 5.982 1.00 1.00 C ATOM 481 CE1 PHE A 37 13.257 -6.231 7.861 1.00 1.00 C ATOM 482 CE2 PHE A 37 12.504 -4.126 6.920 1.00 1.00 C ATOM 483 CZ PHE A 37 13.268 -4.832 7.856 1.00 1.00 C ATOM 0 H PHE A 37 13.682 -7.650 3.500 1.00 1.00 H new ATOM 0 HA PHE A 37 11.071 -7.992 2.973 1.00 1.00 H new ATOM 0 HB2 PHE A 37 9.994 -6.389 4.656 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.465 -7.909 5.390 1.00 1.00 H new ATOM 0 HD1 PHE A 37 12.480 -8.012 6.940 1.00 1.00 H new ATOM 0 HD2 PHE A 37 11.142 -4.264 5.261 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.847 -6.771 8.587 1.00 1.00 H new ATOM 0 HE2 PHE A 37 12.513 -3.046 6.923 1.00 1.00 H new ATOM 0 HZ PHE A 37 13.868 -4.296 8.576 1.00 1.00 H new ATOM 493 N CYS A 38 12.537 -6.205 1.409 1.00 1.00 N ATOM 494 CA CYS A 38 12.997 -5.005 0.584 1.00 1.00 C ATOM 495 C CYS A 38 13.144 -5.377 -0.817 1.00 1.00 C ATOM 496 O CYS A 38 13.875 -4.768 -1.597 1.00 1.00 O ATOM 497 CB CYS A 38 14.292 -4.350 1.147 1.00 1.00 C ATOM 498 SG CYS A 38 15.759 -5.106 0.441 1.00 1.00 S ATOM 0 H CYS A 38 12.519 -7.078 0.882 1.00 1.00 H new ATOM 0 HA CYS A 38 12.221 -4.243 0.657 1.00 1.00 H new ATOM 0 HB2 CYS A 38 14.288 -3.282 0.928 1.00 1.00 H new ATOM 0 HB3 CYS A 38 14.313 -4.452 2.232 1.00 1.00 H new ATOM 503 N GLN A 39 12.479 -6.403 -1.101 1.00 1.00 N ATOM 504 CA GLN A 39 12.453 -7.028 -2.358 1.00 1.00 C ATOM 505 C GLN A 39 11.270 -7.981 -2.396 1.00 1.00 C ATOM 506 O GLN A 39 10.826 -8.399 -1.428 1.00 1.00 O ATOM 507 CB GLN A 39 13.864 -7.722 -2.551 1.00 1.00 C ATOM 508 CG GLN A 39 13.850 -9.217 -2.379 1.00 1.00 C ATOM 509 CD GLN A 39 13.076 -9.892 -3.514 1.00 1.00 C ATOM 510 OE1 GLN A 39 12.600 -11.015 -3.357 1.00 1.00 O ATOM 511 NE2 GLN A 39 12.922 -9.266 -4.654 1.00 1.00 N ATOM 0 H GLN A 39 11.889 -6.873 -0.415 1.00 1.00 H new ATOM 0 HA GLN A 39 12.308 -6.339 -3.190 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.238 -7.487 -3.547 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.567 -7.293 -1.837 1.00 1.00 H new ATOM 0 HG2 GLN A 39 14.873 -9.594 -2.357 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.395 -9.472 -1.422 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.318 -8.335 -4.782 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.406 -9.710 -5.414 1.00 1.00 H new ATOM 520 N GLY A 40 10.722 -8.236 -3.568 1.00 1.00 N ATOM 521 CA GLY A 40 9.530 -9.151 -3.657 1.00 1.00 C ATOM 522 C GLY A 40 8.166 -8.481 -4.027 1.00 1.00 C ATOM 523 O GLY A 40 7.958 -8.045 -5.156 1.00 1.00 O ATOM 0 H GLY A 40 11.045 -7.855 -4.457 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.745 -9.921 -4.398 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.414 -9.655 -2.698 1.00 1.00 H new ATOM 527 N THR A 41 7.208 -8.518 -3.052 1.00 1.00 N ATOM 528 CA THR A 41 5.800 -8.005 -3.303 1.00 1.00 C ATOM 529 C THR A 41 5.063 -7.456 -1.970 1.00 1.00 C ATOM 530 O THR A 41 5.245 -7.996 -0.948 1.00 1.00 O ATOM 531 CB THR A 41 4.986 -9.242 -3.859 1.00 1.00 C ATOM 532 OG1 THR A 41 4.297 -8.858 -5.042 1.00 1.00 O ATOM 533 CG2 THR A 41 3.963 -9.777 -2.824 1.00 1.00 C ATOM 0 H THR A 41 7.364 -8.882 -2.112 1.00 1.00 H new ATOM 0 HA THR A 41 5.847 -7.161 -3.992 1.00 1.00 H new ATOM 0 HB THR A 41 5.697 -10.041 -4.070 1.00 1.00 H new ATOM 0 HG1 THR A 41 3.793 -9.623 -5.390 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.427 -10.626 -3.248 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.489 -10.093 -1.923 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.254 -8.989 -2.573 1.00 1.00 H new ATOM 541 N SER A 42 4.191 -6.448 -2.098 1.00 1.00 N ATOM 542 CA SER A 42 3.376 -5.952 -0.896 1.00 1.00 C ATOM 543 C SER A 42 2.087 -6.325 -1.109 1.00 1.00 C ATOM 544 O SER A 42 1.285 -5.514 -1.588 1.00 1.00 O ATOM 545 CB SER A 42 3.428 -4.309 -0.665 1.00 1.00 C ATOM 546 OG SER A 42 4.042 -3.704 -1.756 1.00 1.00 O ATOM 0 H SER A 42 4.009 -5.952 -2.971 1.00 1.00 H new ATOM 0 HA SER A 42 3.809 -6.392 0.002 1.00 1.00 H new ATOM 0 HB2 SER A 42 2.419 -3.917 -0.539 1.00 1.00 H new ATOM 0 HB3 SER A 42 3.976 -4.077 0.248 1.00 1.00 H new ATOM 0 HG SER A 42 3.676 -2.804 -1.880 1.00 1.00 H new ATOM 552 N ARG A 43 1.733 -7.578 -0.778 1.00 1.00 N ATOM 553 CA ARG A 43 0.400 -8.055 -0.955 1.00 1.00 C ATOM 554 C ARG A 43 -0.298 -7.404 -1.993 1.00 1.00 C ATOM 555 O ARG A 43 -1.249 -6.679 -1.756 1.00 1.00 O ATOM 556 CB ARG A 43 -0.333 -8.008 0.369 1.00 1.00 C ATOM 557 CG ARG A 43 -0.206 -6.504 1.112 1.00 1.00 C ATOM 558 CD ARG A 43 -1.482 -5.609 0.667 1.00 1.00 C ATOM 559 NE ARG A 43 -1.890 -4.728 1.775 1.00 1.00 N ATOM 560 CZ ARG A 43 -1.202 -3.623 2.073 1.00 1.00 C ATOM 561 NH1 ARG A 43 -0.145 -3.309 1.388 1.00 1.00 N ATOM 562 NH2 ARG A 43 -1.589 -2.860 3.062 1.00 1.00 N ATOM 0 H ARG A 43 2.376 -8.265 -0.385 1.00 1.00 H new ATOM 0 HA ARG A 43 0.456 -9.093 -1.284 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.385 -8.245 0.209 1.00 1.00 H new ATOM 0 HB3 ARG A 43 0.069 -8.774 1.032 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.180 -6.617 2.196 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.723 -6.013 0.820 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.230 -5.012 -0.209 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.311 -6.258 0.383 1.00 1.00 H new ATOM 0 HE ARG A 43 -2.715 -4.967 2.326 1.00 1.00 H new ATOM 0 HH11 ARG A 43 0.161 -3.907 0.620 1.00 1.00 H new ATOM 0 HH12 ARG A 43 0.379 -2.464 1.617 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -2.416 -3.109 3.605 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -1.064 -2.016 3.290 1.00 1.00 H new ATOM 576 N LYS A 44 0.133 -7.737 -3.265 1.00 1.00 N ATOM 577 CA LYS A 44 -0.528 -7.227 -4.418 1.00 1.00 C ATOM 578 C LYS A 44 -1.861 -7.278 -4.154 1.00 1.00 C ATOM 579 O LYS A 44 -2.383 -8.308 -4.188 1.00 1.00 O ATOM 580 CB LYS A 44 -0.231 -8.071 -5.653 1.00 1.00 C ATOM 581 CG LYS A 44 -1.089 -7.530 -6.829 1.00 1.00 C ATOM 582 CD LYS A 44 -0.557 -8.085 -8.161 1.00 1.00 C ATOM 583 CE LYS A 44 -1.509 -7.694 -9.331 1.00 1.00 C ATOM 584 NZ LYS A 44 -1.508 -8.784 -10.348 1.00 1.00 N ATOM 0 H LYS A 44 0.925 -8.349 -3.462 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.185 -6.213 -4.625 1.00 1.00 H new ATOM 0 HB2 LYS A 44 0.829 -8.021 -5.902 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -0.465 -9.119 -5.463 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -2.131 -7.820 -6.694 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -1.060 -6.440 -6.841 1.00 1.00 H new ATOM 0 HD2 LYS A 44 0.443 -7.695 -8.351 1.00 1.00 H new ATOM 0 HD3 LYS A 44 -0.470 -9.170 -8.101 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -2.519 -7.532 -8.955 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -1.183 -6.758 -9.784 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -2.142 -8.528 -11.132 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 -0.543 -8.918 -10.713 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -1.838 -9.668 -9.910 1.00 1.00 H new ATOM 598 N PRO A 45 -2.533 -6.139 -3.815 1.00 1.00 N ATOM 599 CA PRO A 45 -3.950 -6.169 -3.541 1.00 1.00 C ATOM 600 C PRO A 45 -4.555 -6.790 -4.707 1.00 1.00 C ATOM 601 O PRO A 45 -5.228 -6.162 -5.529 1.00 1.00 O ATOM 602 CB PRO A 45 -4.306 -4.726 -3.363 1.00 1.00 C ATOM 603 CG PRO A 45 -3.053 -4.131 -2.884 1.00 1.00 C ATOM 604 CD PRO A 45 -2.002 -4.795 -3.659 1.00 1.00 C ATOM 0 HA PRO A 45 -4.278 -6.728 -2.665 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -4.635 -4.274 -4.298 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -5.115 -4.596 -2.644 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -3.041 -3.053 -3.044 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -2.920 -4.296 -1.815 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -1.837 -4.309 -4.621 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -1.047 -4.794 -3.133 1.00 1.00 H new ATOM 612 N ASP A 46 -4.185 -8.042 -4.844 1.00 1.00 N ATOM 613 CA ASP A 46 -4.541 -8.811 -5.980 1.00 1.00 C ATOM 614 C ASP A 46 -5.985 -9.366 -5.847 1.00 1.00 C ATOM 615 O ASP A 46 -6.586 -9.272 -4.781 1.00 1.00 O ATOM 616 CB ASP A 46 -3.464 -10.056 -6.255 1.00 1.00 C ATOM 617 CG ASP A 46 -4.125 -11.438 -6.040 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.778 -11.608 -5.032 1.00 1.00 O ATOM 619 OD2 ASP A 46 -3.950 -12.295 -6.889 1.00 1.00 O ATOM 0 H ASP A 46 -3.624 -8.546 -4.157 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.501 -8.143 -6.840 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -3.082 -9.989 -7.274 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -2.609 -9.953 -5.587 1.00 1.00 H new ATOM 624 N PRO A 47 -6.537 -9.987 -6.909 1.00 1.00 N ATOM 625 CA PRO A 47 -7.903 -10.590 -6.854 1.00 1.00 C ATOM 626 C PRO A 47 -7.925 -11.867 -5.945 1.00 1.00 C ATOM 627 O PRO A 47 -8.242 -12.967 -6.401 1.00 1.00 O ATOM 628 CB PRO A 47 -8.223 -10.935 -8.358 1.00 1.00 C ATOM 629 CG PRO A 47 -7.136 -10.257 -9.162 1.00 1.00 C ATOM 630 CD PRO A 47 -5.932 -10.162 -8.246 1.00 1.00 C ATOM 0 HA PRO A 47 -8.644 -9.921 -6.417 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -8.221 -12.012 -8.524 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -9.210 -10.570 -8.644 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -6.899 -10.830 -10.058 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.454 -9.268 -9.491 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -5.317 -11.061 -8.295 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -5.290 -9.322 -8.511 1.00 1.00 H new ATOM 638 N GLY A 48 -7.595 -11.676 -4.656 1.00 1.00 N ATOM 639 CA GLY A 48 -7.584 -12.779 -3.676 1.00 1.00 C ATOM 640 C GLY A 48 -8.084 -12.235 -2.390 1.00 1.00 C ATOM 641 O GLY A 48 -9.231 -12.466 -2.011 1.00 1.00 O ATOM 0 H GLY A 48 -7.333 -10.770 -4.268 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -8.214 -13.601 -4.016 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -6.576 -13.178 -3.558 1.00 1.00 H new ATOM 645 N PRO A 49 -7.286 -11.429 -1.735 1.00 1.00 N ATOM 646 CA PRO A 49 -7.703 -10.773 -0.540 1.00 1.00 C ATOM 647 C PRO A 49 -8.927 -9.976 -0.829 1.00 1.00 C ATOM 648 O PRO A 49 -10.026 -10.397 -0.479 1.00 1.00 O ATOM 649 CB PRO A 49 -6.488 -9.865 -0.120 1.00 1.00 C ATOM 650 CG PRO A 49 -5.518 -9.887 -1.260 1.00 1.00 C ATOM 651 CD PRO A 49 -5.897 -11.086 -2.119 1.00 1.00 C ATOM 0 HA PRO A 49 -7.958 -11.460 0.267 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.819 -8.847 0.086 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -6.022 -10.240 0.791 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.573 -8.963 -1.836 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.494 -9.976 -0.898 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.832 -10.844 -3.180 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -5.223 -11.924 -1.941 1.00 1.00 H new ATOM 659 N LYS A 50 -8.745 -8.833 -1.493 1.00 1.00 N ATOM 660 CA LYS A 50 -9.859 -7.922 -1.871 1.00 1.00 C ATOM 661 C LYS A 50 -10.442 -7.221 -0.659 1.00 1.00 C ATOM 662 O LYS A 50 -11.644 -7.033 -0.581 1.00 1.00 O ATOM 663 CB LYS A 50 -11.041 -8.829 -2.586 1.00 1.00 C ATOM 664 CG LYS A 50 -11.171 -8.449 -4.189 1.00 1.00 C ATOM 665 CD LYS A 50 -12.066 -7.114 -4.403 1.00 1.00 C ATOM 666 CE LYS A 50 -11.351 -5.840 -3.797 1.00 1.00 C ATOM 667 NZ LYS A 50 -9.960 -5.744 -4.333 1.00 1.00 N ATOM 0 H LYS A 50 -7.827 -8.501 -1.790 1.00 1.00 H new ATOM 0 HA LYS A 50 -9.476 -7.159 -2.548 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.812 -9.889 -2.475 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.994 -8.655 -2.086 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -10.178 -8.296 -4.611 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -11.621 -9.283 -4.728 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -12.246 -6.961 -5.467 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -13.039 -7.247 -3.931 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -11.912 -4.941 -4.050 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -11.329 -5.906 -2.709 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -9.485 -4.916 -3.921 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -9.432 -6.605 -4.084 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -9.993 -5.645 -5.368 1.00 1.00 H new ATOM 681 N GLY A 51 -9.613 -6.905 0.354 1.00 1.00 N ATOM 682 CA GLY A 51 -10.061 -6.383 1.471 1.00 1.00 C ATOM 683 C GLY A 51 -9.185 -6.887 2.453 1.00 1.00 C ATOM 684 O GLY A 51 -8.450 -6.209 2.916 1.00 1.00 O ATOM 0 H GLY A 51 -8.603 -7.044 0.329 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -10.042 -5.294 1.439 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -11.092 -6.678 1.665 1.00 1.00 H new ATOM 688 N PRO A 52 -9.231 -8.199 2.733 1.00 1.00 N ATOM 689 CA PRO A 52 -8.275 -8.896 3.705 1.00 1.00 C ATOM 690 C PRO A 52 -6.809 -8.336 3.628 1.00 1.00 C ATOM 691 O PRO A 52 -5.860 -9.018 3.926 1.00 1.00 O ATOM 692 CB PRO A 52 -8.301 -10.333 3.217 1.00 1.00 C ATOM 693 CG PRO A 52 -9.689 -10.532 2.640 1.00 1.00 C ATOM 694 CD PRO A 52 -10.199 -9.128 2.193 1.00 1.00 C ATOM 0 HA PRO A 52 -8.576 -8.756 4.743 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -7.533 -10.507 2.464 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -8.110 -11.030 4.033 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -9.661 -11.220 1.795 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -10.357 -10.967 3.383 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -10.256 -9.054 1.107 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -11.199 -8.928 2.579 1.00 1.00 H new ATOM 702 N THR A 53 -6.709 -7.127 3.252 1.00 1.00 N ATOM 703 CA THR A 53 -5.498 -6.408 3.144 1.00 1.00 C ATOM 704 C THR A 53 -5.879 -4.993 3.430 1.00 1.00 C ATOM 705 O THR A 53 -7.022 -4.645 3.254 1.00 1.00 O ATOM 706 CB THR A 53 -4.917 -6.419 1.845 1.00 1.00 C ATOM 707 OG1 THR A 53 -5.767 -5.799 0.998 1.00 1.00 O ATOM 708 CG2 THR A 53 -4.627 -7.837 1.290 1.00 1.00 C ATOM 0 H THR A 53 -7.523 -6.570 2.992 1.00 1.00 H new ATOM 0 HA THR A 53 -4.765 -6.856 3.815 1.00 1.00 H new ATOM 0 HB THR A 53 -3.955 -5.912 1.927 1.00 1.00 H new ATOM 0 HG1 THR A 53 -5.318 -5.642 0.141 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.185 -7.756 0.297 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.934 -8.353 1.954 1.00 1.00 H new ATOM 0 HG23 THR A 53 -5.558 -8.401 1.228 1.00 1.00 H new ATOM 716 N TYR A 54 -5.035 -4.208 3.819 1.00 1.00 N ATOM 717 CA TYR A 54 -5.463 -2.779 4.145 1.00 1.00 C ATOM 718 C TYR A 54 -4.426 -1.984 4.980 1.00 1.00 C ATOM 719 O TYR A 54 -3.910 -2.488 5.969 1.00 1.00 O ATOM 720 CB TYR A 54 -6.811 -2.854 5.008 1.00 1.00 C ATOM 721 CG TYR A 54 -6.821 -1.839 6.220 1.00 1.00 C ATOM 722 CD1 TYR A 54 -6.090 -2.127 7.402 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.556 -0.657 6.138 1.00 1.00 C ATOM 724 CE1 TYR A 54 -6.107 -1.230 8.472 1.00 1.00 C ATOM 725 CE2 TYR A 54 -7.565 0.239 7.223 1.00 1.00 C ATOM 726 CZ TYR A 54 -6.842 -0.052 8.383 1.00 1.00 C ATOM 727 OH TYR A 54 -6.855 0.833 9.445 1.00 1.00 O ATOM 0 H TYR A 54 -4.046 -4.418 3.951 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.582 -2.261 3.193 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.663 -2.648 4.361 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.937 -3.868 5.388 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.520 -3.041 7.474 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.117 -0.430 5.244 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.549 -1.451 9.370 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.133 1.155 7.159 1.00 1.00 H new ATOM 0 HH TYR A 54 -7.415 1.605 9.220 1.00 1.00 H new ATOM 737 N CYS A 55 -4.139 -0.587 4.559 1.00 1.00 N ATOM 738 CA CYS A 55 -3.160 0.266 5.420 1.00 1.00 C ATOM 739 C CYS A 55 -3.576 1.744 5.797 1.00 1.00 C ATOM 740 O CYS A 55 -3.204 2.276 6.844 1.00 1.00 O ATOM 741 CB CYS A 55 -1.829 0.348 4.772 1.00 1.00 C ATOM 742 SG CYS A 55 -0.596 0.665 6.120 1.00 1.00 S ATOM 0 H CYS A 55 -4.532 -0.122 3.740 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.168 -0.287 6.359 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -1.597 -0.578 4.246 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -1.808 1.148 4.032 1.00 1.00 H new ATOM 747 N TRP A 56 -4.308 2.348 4.890 1.00 1.00 N ATOM 748 CA TRP A 56 -4.769 3.652 4.969 1.00 1.00 C ATOM 749 C TRP A 56 -6.306 3.684 5.170 1.00 1.00 C ATOM 750 O TRP A 56 -6.817 3.068 6.108 1.00 1.00 O ATOM 751 CB TRP A 56 -4.438 4.286 3.613 1.00 1.00 C ATOM 752 CG TRP A 56 -4.729 5.759 3.644 1.00 1.00 C ATOM 753 CD1 TRP A 56 -5.194 6.390 2.634 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.572 6.782 4.747 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.324 7.697 2.930 1.00 1.00 N ATOM 756 CE2 TRP A 56 -4.967 7.987 4.237 1.00 1.00 C ATOM 757 CE3 TRP A 56 -4.119 6.760 6.121 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -4.947 9.169 4.999 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -4.103 7.941 6.876 1.00 1.00 C ATOM 760 CH2 TRP A 56 -4.519 9.138 6.312 1.00 1.00 C ATOM 0 H TRP A 56 -4.599 1.881 4.031 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.311 4.176 5.808 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.388 4.120 3.373 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -5.024 3.809 2.827 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.445 5.941 1.684 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.650 8.398 2.264 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -3.792 5.832 6.566 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -5.266 10.101 4.557 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -3.765 7.919 7.902 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -4.508 10.045 6.899 1.00 1.00 H new ATOM 771 N ASP A 57 -7.088 4.339 4.123 1.00 1.00 N ATOM 772 CA ASP A 57 -8.498 4.337 4.083 1.00 1.00 C ATOM 773 C ASP A 57 -9.051 5.569 3.315 1.00 1.00 C ATOM 774 O ASP A 57 -10.236 5.849 3.433 1.00 1.00 O ATOM 775 CB ASP A 57 -9.076 4.324 5.477 1.00 1.00 C ATOM 776 CG ASP A 57 -9.524 2.912 5.897 1.00 1.00 C ATOM 777 OD1 ASP A 57 -9.158 1.963 5.219 1.00 1.00 O ATOM 778 OD2 ASP A 57 -10.225 2.806 6.893 1.00 1.00 O ATOM 0 H ASP A 57 -6.661 4.844 3.347 1.00 1.00 H new ATOM 0 HA ASP A 57 -8.798 3.432 3.556 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.332 4.694 6.182 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -9.926 5.004 5.524 1.00 1.00 H new ATOM 783 N GLU A 58 -8.193 6.338 2.574 1.00 1.00 N ATOM 784 CA GLU A 58 -8.671 7.495 1.961 1.00 1.00 C ATOM 785 C GLU A 58 -7.587 8.234 1.334 1.00 1.00 C ATOM 786 O GLU A 58 -7.097 9.128 1.946 1.00 1.00 O ATOM 787 CB GLU A 58 -9.231 8.392 3.134 1.00 1.00 C ATOM 788 CG GLU A 58 -8.157 8.430 4.263 1.00 1.00 C ATOM 789 CD GLU A 58 -8.731 9.099 5.508 1.00 1.00 C ATOM 790 OE1 GLU A 58 -9.384 8.412 6.278 1.00 1.00 O ATOM 791 OE2 GLU A 58 -8.511 10.288 5.673 1.00 1.00 O ATOM 0 H GLU A 58 -7.204 6.137 2.424 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.413 7.246 1.202 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.444 9.399 2.776 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -10.168 7.984 3.512 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -7.832 7.417 4.501 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.277 8.974 3.921 1.00 1.00 H new ATOM 798 N ALA A 59 -7.121 7.972 0.091 1.00 1.00 N ATOM 799 CA ALA A 59 -6.035 8.862 -0.428 1.00 1.00 C ATOM 800 C ALA A 59 -6.153 9.129 -1.952 1.00 1.00 C ATOM 801 O ALA A 59 -5.248 9.513 -2.490 1.00 1.00 O ATOM 802 CB ALA A 59 -4.821 8.196 -0.268 1.00 1.00 C ATOM 0 H ALA A 59 -7.437 7.226 -0.529 1.00 1.00 H new ATOM 0 HA ALA A 59 -6.108 9.803 0.116 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -4.010 8.823 -0.639 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.660 7.982 0.789 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -4.842 7.261 -0.828 1.00 1.00 H new ATOM 808 N LYS A 60 -7.315 8.822 -2.639 1.00 1.00 N ATOM 809 CA LYS A 60 -7.354 9.007 -4.136 1.00 1.00 C ATOM 810 C LYS A 60 -8.145 10.144 -4.536 1.00 1.00 C ATOM 811 O LYS A 60 -8.023 10.564 -5.693 1.00 1.00 O ATOM 812 CB LYS A 60 -7.815 7.742 -4.846 1.00 1.00 C ATOM 813 CG LYS A 60 -8.753 7.032 -3.863 1.00 1.00 C ATOM 814 CD LYS A 60 -9.636 5.905 -4.566 1.00 1.00 C ATOM 815 CE LYS A 60 -11.162 6.219 -4.364 1.00 1.00 C ATOM 816 NZ LYS A 60 -11.469 6.210 -2.899 1.00 1.00 N ATOM 0 H LYS A 60 -8.174 8.472 -2.215 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.329 9.212 -4.444 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.331 7.981 -5.776 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -6.967 7.108 -5.106 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.164 6.581 -3.064 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.410 7.767 -3.398 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -9.403 5.859 -5.630 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -9.398 4.928 -4.145 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.407 7.190 -4.795 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -11.771 5.478 -4.881 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -12.468 5.959 -2.755 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -10.865 5.511 -2.422 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.288 7.153 -2.501 1.00 1.00 H new ATOM 830 N ASN A 61 -9.008 10.708 -3.652 1.00 1.00 N ATOM 831 CA ASN A 61 -9.769 11.836 -4.125 1.00 1.00 C ATOM 832 C ASN A 61 -8.826 12.739 -4.729 1.00 1.00 C ATOM 833 O ASN A 61 -7.665 12.666 -4.428 1.00 1.00 O ATOM 834 CB ASN A 61 -10.616 12.570 -3.058 1.00 1.00 C ATOM 835 CG ASN A 61 -12.083 12.712 -3.503 1.00 1.00 C ATOM 836 OD1 ASN A 61 -12.670 13.785 -3.378 1.00 1.00 O ATOM 837 ND2 ASN A 61 -12.701 11.682 -4.016 1.00 1.00 N ATOM 0 H ASN A 61 -9.171 10.414 -2.689 1.00 1.00 H new ATOM 0 HA ASN A 61 -10.515 11.462 -4.826 1.00 1.00 H new ATOM 0 HB2 ASN A 61 -10.572 12.022 -2.117 1.00 1.00 H new ATOM 0 HB3 ASN A 61 -10.194 13.558 -2.873 1.00 1.00 H new ATOM 0 HD21 ASN A 61 -13.673 11.767 -4.314 1.00 1.00 H new ATOM 0 HD22 ASN A 61 -12.212 10.793 -4.119 1.00 1.00 H new ATOM 844 N PRO A 62 -9.204 13.491 -5.623 1.00 1.00 N ATOM 845 CA PRO A 62 -8.279 14.294 -6.331 1.00 1.00 C ATOM 846 C PRO A 62 -7.774 15.479 -5.657 1.00 1.00 C ATOM 847 O PRO A 62 -6.907 16.137 -6.233 1.00 1.00 O ATOM 848 CB PRO A 62 -9.027 14.633 -7.634 1.00 1.00 C ATOM 849 CG PRO A 62 -10.310 13.860 -7.553 1.00 1.00 C ATOM 850 CD PRO A 62 -10.552 13.722 -6.110 1.00 1.00 C ATOM 0 HA PRO A 62 -7.348 13.744 -6.470 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -9.215 15.704 -7.715 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -8.446 14.344 -8.510 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -11.126 14.388 -8.046 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -10.221 12.888 -8.038 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -10.998 14.618 -5.679 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -11.221 12.892 -5.882 1.00 1.00 H new ATOM 858 N GLY A 63 -8.221 15.873 -4.464 1.00 1.00 N ATOM 859 CA GLY A 63 -7.664 17.068 -3.895 1.00 1.00 C ATOM 860 C GLY A 63 -8.138 17.202 -2.462 1.00 1.00 C ATOM 861 O GLY A 63 -8.619 18.264 -2.065 1.00 1.00 O ATOM 0 H GLY A 63 -8.932 15.400 -3.907 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -6.575 17.029 -3.929 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -7.970 17.939 -4.475 1.00 1.00 H new ATOM 865 N GLY A 64 -8.023 16.076 -1.642 1.00 1.00 N ATOM 866 CA GLY A 64 -8.471 16.120 -0.280 1.00 1.00 C ATOM 867 C GLY A 64 -7.823 15.034 0.590 1.00 1.00 C ATOM 868 O GLY A 64 -6.979 15.353 1.428 1.00 1.00 O ATOM 0 H GLY A 64 -7.631 15.182 -1.938 1.00 1.00 H new ATOM 0 HA2 GLY A 64 -8.246 17.100 0.141 1.00 1.00 H new ATOM 0 HA3 GLY A 64 -9.554 16.003 -0.254 1.00 1.00 H new ATOM 872 N PRO A 65 -8.186 13.750 0.437 1.00 1.00 N ATOM 873 CA PRO A 65 -7.609 12.710 1.235 1.00 1.00 C ATOM 874 C PRO A 65 -6.149 12.669 1.077 1.00 1.00 C ATOM 875 O PRO A 65 -5.591 13.494 0.416 1.00 1.00 O ATOM 876 CB PRO A 65 -8.296 11.412 0.719 1.00 1.00 C ATOM 877 CG PRO A 65 -9.530 11.907 0.225 1.00 1.00 C ATOM 878 CD PRO A 65 -9.127 13.205 -0.470 1.00 1.00 C ATOM 0 HA PRO A 65 -7.769 12.855 2.303 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.711 10.923 -0.060 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -8.439 10.682 1.516 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -9.997 11.207 -0.468 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -10.244 12.085 1.029 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -8.688 13.022 -1.451 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -9.979 13.868 -0.620 1.00 1.00 H new ATOM 886 N ASN A 66 -5.519 11.789 1.773 1.00 1.00 N ATOM 887 CA ASN A 66 -4.004 11.732 1.756 1.00 1.00 C ATOM 888 C ASN A 66 -3.460 11.991 0.314 1.00 1.00 C ATOM 889 O ASN A 66 -2.292 12.317 0.102 1.00 1.00 O ATOM 890 CB ASN A 66 -3.473 10.316 2.258 1.00 1.00 C ATOM 891 CG ASN A 66 -2.548 10.468 3.500 1.00 1.00 C ATOM 892 OD1 ASN A 66 -2.459 9.559 4.324 1.00 1.00 O ATOM 893 ND2 ASN A 66 -1.855 11.563 3.660 1.00 1.00 N ATOM 0 H ASN A 66 -5.969 11.091 2.365 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.644 12.508 2.431 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -4.319 9.676 2.508 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -2.927 9.824 1.453 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -1.240 11.664 4.468 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -1.928 12.317 2.977 1.00 1.00 H new ATOM 900 N ARG A 67 -4.373 11.837 -0.619 1.00 1.00 N ATOM 901 CA ARG A 67 -4.137 12.026 -2.022 1.00 1.00 C ATOM 902 C ARG A 67 -3.104 11.053 -2.565 1.00 1.00 C ATOM 903 O ARG A 67 -1.917 11.109 -2.243 1.00 1.00 O ATOM 904 CB ARG A 67 -3.666 13.478 -2.327 1.00 1.00 C ATOM 905 CG ARG A 67 -4.843 14.405 -2.407 1.00 1.00 C ATOM 906 CD ARG A 67 -5.419 14.358 -3.802 1.00 1.00 C ATOM 907 NE ARG A 67 -4.482 14.927 -4.832 1.00 1.00 N ATOM 908 CZ ARG A 67 -4.030 16.215 -4.814 1.00 1.00 C ATOM 909 NH1 ARG A 67 -4.366 17.036 -3.872 1.00 1.00 N ATOM 910 NH2 ARG A 67 -3.247 16.628 -5.769 1.00 1.00 N ATOM 0 H ARG A 67 -5.334 11.567 -0.407 1.00 1.00 H new ATOM 0 HA ARG A 67 -5.090 11.839 -2.516 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -2.981 13.816 -1.549 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -3.115 13.498 -3.267 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -5.600 14.115 -1.678 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -4.537 15.422 -2.161 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -5.654 13.325 -4.060 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -6.357 14.913 -3.823 1.00 1.00 H new ATOM 0 HE ARG A 67 -4.167 14.316 -5.586 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -4.982 16.726 -3.121 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -4.015 17.994 -3.881 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -2.978 15.991 -6.519 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -2.903 17.588 -5.767 1.00 1.00 H new ATOM 924 N CYS A 68 -3.570 10.252 -3.388 1.00 1.00 N ATOM 925 CA CYS A 68 -2.856 9.287 -4.086 1.00 1.00 C ATOM 926 C CYS A 68 -3.397 9.360 -5.348 1.00 1.00 C ATOM 927 O CYS A 68 -2.848 10.065 -6.204 1.00 1.00 O ATOM 928 CB CYS A 68 -2.905 7.810 -3.395 1.00 1.00 C ATOM 929 SG CYS A 68 -4.447 6.882 -3.412 1.00 1.00 S ATOM 0 H CYS A 68 -4.562 10.244 -3.624 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.781 9.467 -4.096 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -2.147 7.195 -3.881 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -2.603 7.925 -2.354 1.00 1.00 H new ATOM 934 N SER A 69 -4.429 8.737 -5.553 1.00 1.00 N ATOM 935 CA SER A 69 -5.099 8.778 -6.793 1.00 1.00 C ATOM 936 C SER A 69 -4.591 7.782 -7.762 1.00 1.00 C ATOM 937 O SER A 69 -5.334 7.293 -8.611 1.00 1.00 O ATOM 938 CB SER A 69 -4.998 10.208 -7.469 1.00 1.00 C ATOM 939 OG SER A 69 -3.839 10.260 -8.305 1.00 1.00 O ATOM 0 H SER A 69 -4.881 8.147 -4.854 1.00 1.00 H new ATOM 0 HA SER A 69 -6.136 8.543 -6.555 1.00 1.00 H new ATOM 0 HB2 SER A 69 -5.893 10.408 -8.058 1.00 1.00 H new ATOM 0 HB3 SER A 69 -4.942 10.981 -6.703 1.00 1.00 H new ATOM 0 HG SER A 69 -3.048 10.441 -7.756 1.00 1.00 H new ATOM 945 N ASN A 70 -3.233 7.605 -7.760 1.00 1.00 N ATOM 946 CA ASN A 70 -2.569 6.787 -8.819 1.00 1.00 C ATOM 947 C ASN A 70 -1.867 5.663 -8.335 1.00 1.00 C ATOM 948 O ASN A 70 -1.836 4.653 -8.974 1.00 1.00 O ATOM 949 CB ASN A 70 -1.548 7.689 -9.525 1.00 1.00 C ATOM 950 CG ASN A 70 -2.227 8.958 -10.018 1.00 1.00 C ATOM 951 OD1 ASN A 70 -1.814 10.061 -9.663 1.00 1.00 O ATOM 952 ND2 ASN A 70 -3.250 8.870 -10.817 1.00 1.00 N ATOM 0 H ASN A 70 -2.601 8.002 -7.065 1.00 1.00 H new ATOM 0 HA ASN A 70 -3.360 6.414 -9.470 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -0.739 7.942 -8.840 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -1.100 7.157 -10.364 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -3.711 9.717 -11.150 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -3.591 7.954 -11.110 1.00 1.00 H new ATOM 959 N SER A 71 -1.233 5.846 -7.212 1.00 1.00 N ATOM 960 CA SER A 71 -0.405 4.811 -6.576 1.00 1.00 C ATOM 961 C SER A 71 0.678 5.511 -5.783 1.00 1.00 C ATOM 962 O SER A 71 1.677 5.885 -6.344 1.00 1.00 O ATOM 963 CB SER A 71 0.208 3.930 -7.586 1.00 1.00 C ATOM 964 OG SER A 71 1.394 3.340 -7.058 1.00 1.00 O ATOM 0 H SER A 71 -1.265 6.722 -6.691 1.00 1.00 H new ATOM 0 HA SER A 71 -1.025 4.191 -5.928 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.497 3.152 -7.879 1.00 1.00 H new ATOM 0 HB3 SER A 71 0.444 4.501 -8.484 1.00 1.00 H new ATOM 0 HG SER A 71 1.226 2.397 -6.851 1.00 1.00 H new ATOM 970 N LYS A 72 0.450 5.630 -4.413 1.00 1.00 N ATOM 971 CA LYS A 72 1.458 6.273 -3.490 1.00 1.00 C ATOM 972 C LYS A 72 0.991 6.765 -2.165 1.00 1.00 C ATOM 973 O LYS A 72 1.554 7.698 -1.647 1.00 1.00 O ATOM 974 CB LYS A 72 1.993 7.554 -4.240 1.00 1.00 C ATOM 975 CG LYS A 72 0.833 8.461 -4.626 1.00 1.00 C ATOM 976 CD LYS A 72 1.379 9.918 -4.952 1.00 1.00 C ATOM 977 CE LYS A 72 0.534 10.577 -6.073 1.00 1.00 C ATOM 978 NZ LYS A 72 0.938 12.009 -6.218 1.00 1.00 N ATOM 0 H LYS A 72 -0.395 5.299 -3.947 1.00 1.00 H new ATOM 0 HA LYS A 72 2.171 5.478 -3.272 1.00 1.00 H new ATOM 0 HB2 LYS A 72 2.689 8.095 -3.599 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.545 7.258 -5.132 1.00 1.00 H new ATOM 0 HG2 LYS A 72 0.313 8.054 -5.494 1.00 1.00 H new ATOM 0 HG3 LYS A 72 0.108 8.507 -3.813 1.00 1.00 H new ATOM 0 HD2 LYS A 72 1.346 10.534 -4.054 1.00 1.00 H new ATOM 0 HD3 LYS A 72 2.423 9.861 -5.261 1.00 1.00 H new ATOM 0 HE2 LYS A 72 0.682 10.048 -7.015 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -0.527 10.509 -5.832 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 0.373 12.455 -6.969 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 0.775 12.508 -5.320 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 1.947 12.062 -6.466 1.00 1.00 H new ATOM 992 N GLN A 73 0.026 6.264 -1.713 1.00 1.00 N ATOM 993 CA GLN A 73 -0.561 6.709 -0.527 1.00 1.00 C ATOM 994 C GLN A 73 -1.952 6.183 -0.505 1.00 1.00 C ATOM 995 O GLN A 73 -2.775 6.869 -0.211 1.00 1.00 O ATOM 996 CB GLN A 73 -0.679 8.414 -0.536 1.00 1.00 C ATOM 997 CG GLN A 73 0.261 9.058 0.485 1.00 1.00 C ATOM 998 CD GLN A 73 -0.277 8.838 1.895 1.00 1.00 C ATOM 999 OE1 GLN A 73 -1.313 8.201 2.072 1.00 1.00 O ATOM 1000 NE2 GLN A 73 0.367 9.329 2.910 1.00 1.00 N ATOM 0 H GLN A 73 -0.455 5.474 -2.144 1.00 1.00 H new ATOM 0 HA GLN A 73 0.032 6.379 0.326 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -0.444 8.789 -1.532 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -1.706 8.708 -0.319 1.00 1.00 H new ATOM 0 HG2 GLN A 73 1.259 8.628 0.396 1.00 1.00 H new ATOM 0 HG3 GLN A 73 0.354 10.125 0.284 1.00 1.00 H new ATOM 0 HE21 GLN A 73 1.227 9.857 2.761 1.00 1.00 H new ATOM 0 HE22 GLN A 73 0.013 9.186 3.856 1.00 1.00 H new ATOM 1009 N CYS A 74 -2.188 4.907 -0.753 1.00 1.00 N ATOM 1010 CA CYS A 74 -3.731 4.376 -0.649 1.00 1.00 C ATOM 1011 C CYS A 74 -3.767 3.384 0.456 1.00 1.00 C ATOM 1012 O CYS A 74 -2.968 3.551 1.343 1.00 1.00 O ATOM 1013 CB CYS A 74 -4.163 3.849 -2.075 1.00 1.00 C ATOM 1014 SG CYS A 74 -3.588 5.017 -3.466 1.00 1.00 S ATOM 0 H CYS A 74 -1.489 4.209 -1.007 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.463 5.143 -0.397 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.744 2.856 -2.238 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -5.248 3.747 -2.111 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.728 2.288 0.523 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.675 1.363 1.836 1.00 1.00 C ATOM 1021 C ASP A 75 -4.018 -0.030 1.618 1.00 1.00 C ATOM 1022 O ASP A 75 -2.790 -0.130 1.681 1.00 1.00 O ATOM 1023 CB ASP A 75 -6.137 1.407 2.455 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.291 0.652 3.723 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -6.348 -0.422 3.663 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -6.374 1.239 4.725 1.00 1.00 O ATOM 0 H ASP A 75 -5.429 2.051 -0.179 1.00 1.00 H new ATOM 0 HA ASP A 75 -3.978 1.747 2.581 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.413 2.447 2.630 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -6.840 1.010 1.723 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.768 -1.063 1.424 1.00 1.00 N ATOM 1032 CA GLY A 76 -4.104 -2.443 1.270 1.00 1.00 C ATOM 1033 C GLY A 76 -4.843 -3.495 0.398 1.00 1.00 C ATOM 1034 O GLY A 76 -4.229 -4.480 0.022 1.00 1.00 O ATOM 0 H GLY A 76 -5.786 -1.051 1.361 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -3.110 -2.294 0.849 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -3.968 -2.865 2.266 1.00 1.00 H new ATOM 1038 N ALA A 77 -6.086 -3.280 0.046 1.00 1.00 N ATOM 1039 CA ALA A 77 -6.815 -4.229 -0.831 1.00 1.00 C ATOM 1040 C ALA A 77 -7.284 -3.496 -2.027 1.00 1.00 C ATOM 1041 O ALA A 77 -8.406 -3.710 -2.495 1.00 1.00 O ATOM 1042 CB ALA A 77 -8.045 -4.765 -0.125 1.00 1.00 C ATOM 0 H ALA A 77 -6.631 -2.469 0.339 1.00 1.00 H new ATOM 0 HA ALA A 77 -6.146 -5.049 -1.091 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -8.568 -5.460 -0.782 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -7.745 -5.283 0.786 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.708 -3.938 0.130 1.00 1.00 H new ATOM 1048 N ARG A 78 -6.486 -2.537 -2.475 1.00 1.00 N ATOM 1049 CA ARG A 78 -6.843 -1.696 -3.504 1.00 1.00 C ATOM 1050 C ARG A 78 -5.876 -1.778 -4.554 1.00 1.00 C ATOM 1051 O ARG A 78 -4.740 -2.096 -4.298 1.00 1.00 O ATOM 1052 CB ARG A 78 -6.873 -0.356 -2.956 1.00 1.00 C ATOM 1053 CG ARG A 78 -7.944 -0.302 -1.810 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.279 1.097 -1.554 1.00 1.00 C ATOM 1055 NE ARG A 78 -8.963 1.685 -2.727 1.00 1.00 N ATOM 1056 CZ ARG A 78 -10.303 1.821 -2.780 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -11.051 1.426 -1.780 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -10.860 2.348 -3.837 1.00 1.00 N ATOM 0 H ARG A 78 -5.558 -2.354 -2.094 1.00 1.00 H new ATOM 0 HA ARG A 78 -7.813 -1.968 -3.919 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -5.891 -0.085 -2.568 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -7.118 0.365 -3.736 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -8.836 -0.858 -2.099 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.555 -0.770 -0.906 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -8.921 1.169 -0.676 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.372 1.660 -1.333 1.00 1.00 H new ATOM 0 HE ARG A 78 -8.403 1.997 -3.520 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.620 1.012 -0.953 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -12.064 1.532 -1.828 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -10.281 2.655 -4.619 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -11.874 2.453 -3.881 1.00 1.00 H new ATOM 1072 N THR A 79 -6.264 -1.434 -5.779 1.00 1.00 N ATOM 1073 CA THR A 79 -5.352 -1.459 -6.828 1.00 1.00 C ATOM 1074 C THR A 79 -5.442 -0.296 -7.592 1.00 1.00 C ATOM 1075 O THR A 79 -5.933 -0.336 -8.683 1.00 1.00 O ATOM 1076 CB THR A 79 -5.460 -2.663 -7.668 1.00 1.00 C ATOM 1077 OG1 THR A 79 -5.614 -3.813 -6.829 1.00 1.00 O ATOM 1078 CG2 THR A 79 -4.093 -2.765 -8.489 1.00 1.00 C ATOM 0 H THR A 79 -7.208 -1.141 -6.031 1.00 1.00 H new ATOM 0 HA THR A 79 -4.362 -1.502 -6.374 1.00 1.00 H new ATOM 0 HB THR A 79 -6.317 -2.612 -8.339 1.00 1.00 H new ATOM 0 HG1 THR A 79 -4.807 -4.367 -6.882 1.00 1.00 H new ATOM 0 HG21 THR A 79 -4.119 -3.645 -9.132 1.00 1.00 H new ATOM 0 HG22 THR A 79 -3.969 -1.872 -9.102 1.00 1.00 H new ATOM 0 HG23 THR A 79 -3.257 -2.848 -7.795 1.00 1.00 H new ATOM 1086 N CYS A 80 -4.792 0.785 -7.050 1.00 1.00 N ATOM 1087 CA CYS A 80 -4.637 2.010 -7.702 1.00 1.00 C ATOM 1088 C CYS A 80 -4.949 2.042 -9.094 1.00 1.00 C ATOM 1089 O CYS A 80 -4.207 2.589 -9.922 1.00 1.00 O ATOM 1090 CB CYS A 80 -3.220 2.556 -7.450 1.00 1.00 C ATOM 1091 SG CYS A 80 -3.386 4.270 -6.392 1.00 1.00 S ATOM 0 H CYS A 80 -4.372 0.767 -6.121 1.00 1.00 H new ATOM 0 HA CYS A 80 -5.397 2.653 -7.258 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -2.623 1.827 -6.902 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -2.709 2.740 -8.395 1.00 1.00 H new ATOM 1096 N SER A 81 -6.012 1.481 -9.414 1.00 1.00 N ATOM 1097 CA SER A 81 -6.468 1.413 -10.708 1.00 1.00 C ATOM 1098 C SER A 81 -5.688 0.428 -11.412 1.00 1.00 C ATOM 1099 O SER A 81 -6.214 -0.425 -12.116 1.00 1.00 O ATOM 1100 CB SER A 81 -6.497 2.788 -11.354 1.00 1.00 C ATOM 1101 OG SER A 81 -5.633 2.816 -12.490 1.00 1.00 O ATOM 0 H SER A 81 -6.628 1.028 -8.739 1.00 1.00 H new ATOM 0 HA SER A 81 -7.507 1.084 -10.742 1.00 1.00 H new ATOM 0 HB2 SER A 81 -7.515 3.035 -11.656 1.00 1.00 H new ATOM 0 HB3 SER A 81 -6.186 3.544 -10.633 1.00 1.00 H new ATOM 0 HG SER A 81 -4.700 2.770 -12.193 1.00 1.00 H new ATOM 1107 N SER A 82 -4.484 0.422 -11.063 1.00 1.00 N ATOM 1108 CA SER A 82 -3.593 -0.537 -11.425 1.00 1.00 C ATOM 1109 C SER A 82 -2.177 -0.085 -11.089 1.00 1.00 C ATOM 1110 O SER A 82 -1.299 0.102 -11.935 1.00 1.00 O ATOM 1111 CB SER A 82 -3.766 -1.086 -12.743 1.00 1.00 C ATOM 1112 OG SER A 82 -2.541 -1.652 -13.197 1.00 1.00 O ATOM 0 H SER A 82 -4.078 1.148 -10.472 1.00 1.00 H new ATOM 0 HA SER A 82 -3.809 -1.416 -10.817 1.00 1.00 H new ATOM 0 HB2 SER A 82 -4.546 -1.848 -12.730 1.00 1.00 H new ATOM 0 HB3 SER A 82 -4.094 -0.307 -13.431 1.00 1.00 H new ATOM 0 HG SER A 82 -1.855 -0.954 -13.241 1.00 1.00 H new ATOM 1118 N SER A 83 -1.994 -0.116 -9.768 1.00 1.00 N ATOM 1119 CA SER A 83 -0.687 0.084 -9.117 1.00 1.00 C ATOM 1120 C SER A 83 -0.782 -0.017 -7.525 1.00 1.00 C ATOM 1121 O SER A 83 -0.066 0.654 -6.778 1.00 1.00 O ATOM 1122 CB SER A 83 0.047 1.310 -9.620 1.00 1.00 C ATOM 1123 OG SER A 83 0.728 0.980 -10.831 1.00 1.00 O ATOM 0 H SER A 83 -2.754 -0.282 -9.108 1.00 1.00 H new ATOM 0 HA SER A 83 -0.056 -0.751 -9.421 1.00 1.00 H new ATOM 0 HB2 SER A 83 -0.656 2.125 -9.793 1.00 1.00 H new ATOM 0 HB3 SER A 83 0.758 1.657 -8.871 1.00 1.00 H new ATOM 0 HG SER A 83 0.117 0.502 -11.430 1.00 1.00 H new ATOM 1129 N GLY A 84 -1.632 -1.023 -7.101 1.00 1.00 N ATOM 1130 CA GLY A 84 -1.800 -1.415 -5.751 1.00 1.00 C ATOM 1131 C GLY A 84 -1.894 -0.369 -4.897 1.00 1.00 C ATOM 1132 O GLY A 84 -1.086 -0.255 -3.961 1.00 1.00 O ATOM 0 H GLY A 84 -2.208 -1.562 -7.748 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -2.699 -2.026 -5.667 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -0.959 -2.042 -5.455 1.00 1.00 H new ATOM 1136 N PHE A 85 -2.953 0.431 -5.021 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.135 1.354 -4.126 1.00 1.00 C ATOM 1138 C PHE A 85 -4.584 1.790 -4.238 1.00 1.00 C ATOM 1139 O PHE A 85 -5.275 1.576 -3.375 1.00 1.00 O ATOM 1140 CB PHE A 85 -2.037 2.435 -4.241 1.00 1.00 C ATOM 1141 CG PHE A 85 -0.931 2.362 -3.114 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -1.162 1.819 -1.791 1.00 1.00 C ATOM 1143 CD2 PHE A 85 0.329 2.858 -3.429 1.00 1.00 C ATOM 1144 CE1 PHE A 85 -0.118 1.801 -0.862 1.00 1.00 C ATOM 1145 CE2 PHE A 85 1.364 2.830 -2.484 1.00 1.00 C ATOM 1146 CZ PHE A 85 1.141 2.303 -1.208 1.00 1.00 C ATOM 0 H PHE A 85 -3.648 0.387 -5.766 1.00 1.00 H new ATOM 0 HA PHE A 85 -3.007 1.015 -3.098 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -1.554 2.344 -5.214 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -2.507 3.418 -4.209 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -2.134 1.431 -1.524 1.00 1.00 H new ATOM 0 HD2 PHE A 85 0.512 3.269 -4.411 1.00 1.00 H new ATOM 0 HE1 PHE A 85 -0.284 1.398 0.126 1.00 1.00 H new ATOM 0 HE2 PHE A 85 2.338 3.217 -2.743 1.00 1.00 H new ATOM 0 HZ PHE A 85 1.944 2.283 -0.486 1.00 1.00 H new ATOM 1156 N CYS A 86 -4.976 2.517 -5.218 1.00 1.00 N ATOM 1157 CA CYS A 86 -6.444 3.044 -5.250 1.00 1.00 C ATOM 1158 C CYS A 86 -7.362 2.748 -6.421 1.00 1.00 C ATOM 1159 O CYS A 86 -7.217 3.231 -7.541 1.00 1.00 O ATOM 1160 CB CYS A 86 -6.418 4.430 -5.072 1.00 1.00 C ATOM 1161 SG CYS A 86 -5.368 5.095 -6.530 1.00 1.00 S ATOM 0 H CYS A 86 -4.395 2.794 -6.009 1.00 1.00 H new ATOM 0 HA CYS A 86 -6.898 2.457 -4.451 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -7.424 4.849 -5.086 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -5.975 4.697 -4.112 1.00 1.00 H new ATOM 1166 N GLN A 87 -8.405 1.879 -6.038 1.00 1.00 N ATOM 1167 CA GLN A 87 -9.390 1.438 -6.881 1.00 1.00 C ATOM 1168 C GLN A 87 -10.230 0.323 -6.173 1.00 1.00 C ATOM 1169 O GLN A 87 -11.461 0.372 -6.170 1.00 1.00 O ATOM 1170 CB GLN A 87 -8.727 0.973 -8.129 1.00 1.00 C ATOM 1171 CG GLN A 87 -9.514 -0.129 -8.832 1.00 1.00 C ATOM 1172 CD GLN A 87 -9.339 -1.482 -8.118 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -8.291 -1.748 -7.542 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -10.321 -2.343 -8.122 1.00 1.00 N ATOM 0 H GLN A 87 -8.496 1.515 -5.090 1.00 1.00 H new ATOM 0 HA GLN A 87 -10.096 2.228 -7.138 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -8.604 1.817 -8.808 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -7.728 0.607 -7.891 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -10.571 0.136 -8.859 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -9.180 -0.215 -9.866 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -11.193 -2.120 -8.602 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -10.216 -3.238 -7.645 1.00 1.00 H new ATOM 1183 N GLY A 88 -9.568 -0.648 -5.638 1.00 1.00 N ATOM 1184 CA GLY A 88 -10.277 -1.797 -4.967 1.00 1.00 C ATOM 1185 C GLY A 88 -11.186 -1.398 -3.733 1.00 1.00 C ATOM 1186 O GLY A 88 -12.153 -0.646 -3.864 1.00 1.00 O ATOM 0 H GLY A 88 -8.550 -0.711 -5.628 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -10.898 -2.302 -5.707 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -9.531 -2.517 -4.631 1.00 1.00 H new ATOM 1190 N THR A 89 -10.881 -2.037 -2.565 1.00 1.00 N ATOM 1191 CA THR A 89 -11.698 -1.889 -1.309 1.00 1.00 C ATOM 1192 C THR A 89 -10.929 -1.582 -0.009 1.00 1.00 C ATOM 1193 O THR A 89 -11.213 -0.586 0.651 1.00 1.00 O ATOM 1194 CB THR A 89 -12.541 -3.256 -1.179 1.00 1.00 C ATOM 1195 OG1 THR A 89 -13.896 -2.931 -0.897 1.00 1.00 O ATOM 1196 CG2 THR A 89 -12.018 -4.223 -0.063 1.00 1.00 C ATOM 0 H THR A 89 -10.079 -2.659 -2.462 1.00 1.00 H new ATOM 0 HA THR A 89 -12.316 -0.998 -1.416 1.00 1.00 H new ATOM 0 HB THR A 89 -12.431 -3.781 -2.128 1.00 1.00 H new ATOM 0 HG1 THR A 89 -14.420 -3.755 -0.817 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.638 -5.119 -0.039 1.00 1.00 H new ATOM 0 HG22 THR A 89 -10.986 -4.501 -0.277 1.00 1.00 H new ATOM 0 HG23 THR A 89 -12.066 -3.722 0.904 1.00 1.00 H new ATOM 1204 N ALA A 90 -10.108 -2.462 0.385 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.414 -2.384 1.658 1.00 1.00 C ATOM 1206 C ALA A 90 -10.267 -3.172 2.671 1.00 1.00 C ATOM 1207 O ALA A 90 -11.422 -2.854 2.959 1.00 1.00 O ATOM 1208 CB ALA A 90 -9.160 -0.985 2.146 1.00 1.00 C ATOM 0 H ALA A 90 -9.872 -3.291 -0.161 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.417 -2.807 1.536 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -8.638 -1.022 3.102 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -8.548 -0.452 1.419 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.110 -0.465 2.271 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.625 -4.132 3.199 1.00 1.00 N ATOM 1215 CA GLY A 91 -10.244 -5.092 4.336 1.00 1.00 C ATOM 1216 C GLY A 91 -9.097 -5.877 5.421 1.00 1.00 C ATOM 1217 O GLY A 91 -9.507 -6.376 6.464 1.00 1.00 O ATOM 0 H GLY A 91 -8.667 -4.368 2.942 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -10.935 -4.503 4.939 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.832 -5.867 3.844 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.722 -5.828 5.117 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.555 -6.403 6.081 1.00 1.00 C ATOM 1223 C HIS A 92 -6.603 -7.830 6.444 1.00 1.00 C ATOM 1224 O HIS A 92 -7.605 -8.274 7.008 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.636 -5.597 7.512 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.428 -6.363 8.605 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -8.803 -6.235 8.753 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.027 -7.238 9.577 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.172 -7.021 9.783 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.126 -7.654 10.320 1.00 1.00 N ATOM 0 H HIS A 92 -7.364 -5.419 4.254 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.648 -6.264 5.492 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.625 -5.407 7.872 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -7.103 -4.626 7.348 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.420 -5.653 8.186 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.009 -7.558 9.743 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.189 -7.126 10.132 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.596 -8.593 6.164 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.664 -10.099 6.582 1.00 1.00 C ATOM 1241 C ALA A 93 -4.787 -10.343 7.817 1.00 1.00 C ATOM 1242 O ALA A 93 -3.805 -11.081 7.749 1.00 1.00 O ATOM 1243 CB ALA A 93 -5.168 -11.038 5.423 1.00 1.00 C ATOM 0 H ALA A 93 -4.744 -8.300 5.686 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.706 -10.330 6.805 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -5.228 -12.077 5.746 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -5.796 -10.894 4.544 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -4.135 -10.794 5.174 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.163 -9.710 8.943 1.00 1.00 N ATOM 1250 CA ALA A 94 -4.407 -9.854 10.225 1.00 1.00 C ATOM 1251 C ALA A 94 -3.724 -11.239 10.315 1.00 1.00 C ATOM 1252 O ALA A 94 -4.419 -12.204 10.583 1.00 1.00 O ATOM 1253 CB ALA A 94 -5.394 -9.672 11.448 1.00 1.00 C ATOM 0 H ALA A 94 -5.976 -9.097 9.004 1.00 1.00 H new ATOM 0 HA ALA A 94 -3.634 -9.086 10.254 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -4.840 -9.777 12.381 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -5.848 -8.682 11.405 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.175 -10.431 11.402 1.00 1.00 H new TER 1259 ALA A 94