USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 660 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 27 LYS NZ :NH3+ 138:sc= -4.97! (180deg=-0.619) USER MOD Set 1.2: A 84 MET CE :methyl 168:sc= -9.99! (180deg=-5.47!) USER MOD Set 2.1: A 9 THR OG1 : rot -146:sc= -1.49! USER MOD Set 2.2: A 16 CYS SG : rot 8:sc= -5.02! USER MOD Single : A 1 MET CE :methyl 178:sc= -8.27! (180deg=-8.71!) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.455! (180deg=-0.796!) USER MOD Single : A 4 ASN : amide:sc= -9.09! C(o=-9.1!,f=-7.7!) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0327 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -4.43! USER MOD Single : A 15 TYR OH : rot 112:sc= -3.3! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -127:sc= -0.473 (180deg=-1.3!) USER MOD Single : A 33 LYS NZ :NH3+ -133:sc= -3.62! (180deg=-4.81!) USER MOD Single : A 38 LYS NZ :NH3+ -150:sc= -0.321 (180deg=-2.32!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 138:sc= -11.1! (180deg=-14.1!) USER MOD Single : A 51 TYR OH : rot -155:sc= -7.55! USER MOD Single : A 54 MET CE :methyl -147:sc= -0.108 (180deg=-1.36) USER MOD Single : A 62 ASN : amide:sc= -15.4! C(o=-15!,f=-28!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.419 K(o=-0.42,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.493 -3.419 9.757 1.00 0.00 N ATOM 2 CA MET A 1 -10.910 -2.632 8.560 1.00 0.00 C ATOM 3 C MET A 1 -11.043 -3.550 7.344 1.00 0.00 C ATOM 4 O MET A 1 -10.474 -4.622 7.297 1.00 0.00 O ATOM 5 CB MET A 1 -9.790 -1.615 8.343 1.00 0.00 C ATOM 6 CG MET A 1 -8.617 -2.288 7.628 1.00 0.00 C ATOM 7 SD MET A 1 -8.294 -3.903 8.380 1.00 0.00 S ATOM 8 CE MET A 1 -7.265 -3.315 9.747 1.00 0.00 C ATOM 0 H1 MET A 1 -10.340 -2.775 10.560 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.238 -4.104 9.999 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.610 -3.927 9.548 1.00 0.00 H new ATOM 0 HA MET A 1 -11.877 -2.149 8.701 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.157 -0.776 7.751 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.462 -1.211 9.301 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.844 -2.408 6.569 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.729 -1.660 7.695 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.976 -4.159 10.374 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.370 -2.836 9.349 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.827 -2.596 10.342 1.00 0.00 H new ATOM 20 N VAL A 2 -11.780 -3.132 6.355 1.00 0.00 N ATOM 21 CA VAL A 2 -11.945 -3.982 5.142 1.00 0.00 C ATOM 22 C VAL A 2 -10.723 -3.840 4.238 1.00 0.00 C ATOM 23 O VAL A 2 -9.717 -4.495 4.417 1.00 0.00 O ATOM 24 CB VAL A 2 -13.189 -3.441 4.438 1.00 0.00 C ATOM 25 CG1 VAL A 2 -13.178 -1.913 4.481 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.188 -3.908 2.978 1.00 0.00 C ATOM 0 H VAL A 2 -12.275 -2.240 6.333 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.046 -5.039 5.390 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.082 -3.811 4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.066 -1.528 3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.174 -1.578 5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.286 -1.541 3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.074 -3.524 2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.294 -3.535 2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.195 -4.997 2.944 1.00 0.00 H new ATOM 36 N VAL A 3 -10.813 -2.982 3.274 1.00 0.00 N ATOM 37 CA VAL A 3 -9.668 -2.778 2.360 1.00 0.00 C ATOM 38 C VAL A 3 -8.731 -1.698 2.908 1.00 0.00 C ATOM 39 O VAL A 3 -9.151 -0.580 3.167 1.00 0.00 O ATOM 40 CB VAL A 3 -10.317 -2.357 1.029 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.255 -1.844 0.056 1.00 0.00 C ATOM 42 CG2 VAL A 3 -11.016 -3.581 0.421 1.00 0.00 C ATOM 0 H VAL A 3 -11.634 -2.410 3.078 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.050 -3.668 2.242 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.035 -1.558 1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.730 -1.551 -0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.748 -0.983 0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.528 -2.633 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.482 -3.302 -0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.283 -4.368 0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.780 -3.943 1.109 1.00 0.00 H new ATOM 52 N ASN A 4 -7.449 -1.963 2.997 1.00 0.00 N ATOM 53 CA ASN A 4 -6.526 -0.907 3.523 1.00 0.00 C ATOM 54 C ASN A 4 -5.154 -1.112 2.898 1.00 0.00 C ATOM 55 O ASN A 4 -4.374 -2.010 3.190 1.00 0.00 O ATOM 56 CB ASN A 4 -6.345 -1.231 5.030 1.00 0.00 C ATOM 57 CG ASN A 4 -7.204 -0.319 5.892 1.00 0.00 C ATOM 58 OD1 ASN A 4 -6.792 0.110 6.956 1.00 0.00 O ATOM 59 ND2 ASN A 4 -8.388 -0.004 5.471 1.00 0.00 N ATOM 0 H ASN A 4 -7.009 -2.845 2.735 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.910 0.094 3.324 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.613 -2.271 5.216 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.297 -1.117 5.307 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.983 0.607 6.031 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.726 -0.367 4.580 1.00 0.00 H new ATOM 66 N ILE A 5 -4.930 -0.242 1.943 1.00 0.00 N ATOM 67 CA ILE A 5 -3.688 -0.231 1.132 1.00 0.00 C ATOM 68 C ILE A 5 -2.943 1.113 1.148 1.00 0.00 C ATOM 69 O ILE A 5 -3.536 2.151 0.979 1.00 0.00 O ATOM 70 CB ILE A 5 -4.112 -0.652 -0.275 1.00 0.00 C ATOM 71 CG1 ILE A 5 -5.554 -1.146 -0.220 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.196 -1.801 -0.729 1.00 0.00 C ATOM 73 CD1 ILE A 5 -5.733 -2.321 -1.180 1.00 0.00 C ATOM 0 H ILE A 5 -5.593 0.490 1.688 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.956 -0.919 1.554 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.036 0.184 -0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.805 -1.452 0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.236 -0.338 -0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.480 -2.118 -1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.161 -1.460 -0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.297 -2.640 -0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.764 -2.671 -1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.500 -2.000 -2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.063 -3.131 -0.893 1.00 0.00 H new ATOM 85 N GLU A 6 -1.654 1.137 1.265 1.00 0.00 N ATOM 86 CA GLU A 6 -1.038 2.471 1.200 1.00 0.00 C ATOM 87 C GLU A 6 0.112 2.349 0.220 1.00 0.00 C ATOM 88 O GLU A 6 1.049 1.588 0.429 1.00 0.00 O ATOM 89 CB GLU A 6 -0.495 2.714 2.626 1.00 0.00 C ATOM 90 CG GLU A 6 -0.022 4.160 2.821 1.00 0.00 C ATOM 91 CD GLU A 6 -0.116 4.538 4.306 1.00 0.00 C ATOM 92 OE1 GLU A 6 -1.218 4.810 4.757 1.00 0.00 O ATOM 93 OE2 GLU A 6 0.912 4.554 4.963 1.00 0.00 O ATOM 0 H GLU A 6 -1.032 0.339 1.395 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.707 3.274 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.273 2.486 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.333 2.032 2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.005 4.267 2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.633 4.837 2.224 1.00 0.00 H new ATOM 100 N VAL A 7 0.051 3.129 -0.848 1.00 0.00 N ATOM 101 CA VAL A 7 1.089 3.028 -1.895 1.00 0.00 C ATOM 102 C VAL A 7 1.877 4.298 -1.846 1.00 0.00 C ATOM 103 O VAL A 7 1.372 5.378 -2.119 1.00 0.00 O ATOM 104 CB VAL A 7 0.338 2.985 -3.265 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.820 1.981 -3.258 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.245 4.386 -3.575 1.00 0.00 C ATOM 0 H VAL A 7 -0.677 3.822 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 7 1.731 2.157 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 7 1.061 2.678 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.312 1.986 -4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.435 0.983 -3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.538 2.259 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.769 4.359 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.941 4.673 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.565 5.114 -3.626 1.00 0.00 H new ATOM 116 N PHE A 8 3.108 4.160 -1.426 1.00 0.00 N ATOM 117 CA PHE A 8 3.980 5.333 -1.293 1.00 0.00 C ATOM 118 C PHE A 8 5.155 5.219 -2.250 1.00 0.00 C ATOM 119 O PHE A 8 6.185 4.665 -1.929 1.00 0.00 O ATOM 120 CB PHE A 8 4.446 5.253 0.177 1.00 0.00 C ATOM 121 CG PHE A 8 5.881 5.710 0.310 1.00 0.00 C ATOM 122 CD1 PHE A 8 6.169 7.073 0.412 1.00 0.00 C ATOM 123 CD2 PHE A 8 6.923 4.769 0.344 1.00 0.00 C ATOM 124 CE1 PHE A 8 7.496 7.502 0.544 1.00 0.00 C ATOM 125 CE2 PHE A 8 8.251 5.199 0.477 1.00 0.00 C ATOM 126 CZ PHE A 8 8.536 6.568 0.576 1.00 0.00 C ATOM 0 H PHE A 8 3.538 3.271 -1.171 1.00 0.00 H new ATOM 0 HA PHE A 8 3.490 6.277 -1.529 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.803 5.873 0.802 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.351 4.229 0.538 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.368 7.797 0.389 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.702 3.715 0.268 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.716 8.556 0.621 1.00 0.00 H new ATOM 0 HE2 PHE A 8 9.053 4.476 0.503 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.558 6.901 0.677 1.00 0.00 H new ATOM 136 N THR A 9 5.016 5.791 -3.410 1.00 0.00 N ATOM 137 CA THR A 9 6.128 5.761 -4.397 1.00 0.00 C ATOM 138 C THR A 9 6.472 7.191 -4.805 1.00 0.00 C ATOM 139 O THR A 9 7.577 7.653 -4.609 1.00 0.00 O ATOM 140 CB THR A 9 5.587 4.968 -5.592 1.00 0.00 C ATOM 141 OG1 THR A 9 4.645 4.006 -5.134 1.00 0.00 O ATOM 142 CG2 THR A 9 6.740 4.256 -6.302 1.00 0.00 C ATOM 0 H THR A 9 4.176 6.281 -3.719 1.00 0.00 H new ATOM 0 HA THR A 9 7.035 5.305 -4.000 1.00 0.00 H new ATOM 0 HB THR A 9 5.101 5.651 -6.289 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.703 3.201 -5.690 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.352 3.693 -7.151 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.461 4.993 -6.654 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.229 3.573 -5.607 1.00 0.00 H new ATOM 150 N SER A 10 5.531 7.902 -5.361 1.00 0.00 N ATOM 151 CA SER A 10 5.814 9.307 -5.771 1.00 0.00 C ATOM 152 C SER A 10 4.574 9.944 -6.405 1.00 0.00 C ATOM 153 O SER A 10 3.787 9.275 -7.045 1.00 0.00 O ATOM 154 CB SER A 10 6.944 9.201 -6.790 1.00 0.00 C ATOM 155 OG SER A 10 7.922 10.192 -6.503 1.00 0.00 O ATOM 0 H SER A 10 4.584 7.574 -5.549 1.00 0.00 H new ATOM 0 HA SER A 10 6.086 9.934 -4.922 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.392 8.208 -6.753 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.555 9.337 -7.799 1.00 0.00 H new ATOM 0 HG SER A 10 8.652 10.129 -7.153 1.00 0.00 H new ATOM 161 N PRO A 11 4.452 11.227 -6.201 1.00 0.00 N ATOM 162 CA PRO A 11 3.304 11.985 -6.754 1.00 0.00 C ATOM 163 C PRO A 11 3.501 12.230 -8.252 1.00 0.00 C ATOM 164 O PRO A 11 2.553 12.322 -9.007 1.00 0.00 O ATOM 165 CB PRO A 11 3.339 13.299 -5.981 1.00 0.00 C ATOM 166 CG PRO A 11 4.762 13.461 -5.543 1.00 0.00 C ATOM 167 CD PRO A 11 5.367 12.083 -5.442 1.00 0.00 C ATOM 0 HA PRO A 11 2.354 11.461 -6.653 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.023 14.133 -6.608 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.665 13.270 -5.125 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.315 14.071 -6.257 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.811 13.972 -4.582 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.373 12.059 -5.861 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.446 11.759 -4.404 1.00 0.00 H new ATOM 175 N THR A 12 4.728 12.338 -8.688 1.00 0.00 N ATOM 176 CA THR A 12 4.985 12.575 -10.137 1.00 0.00 C ATOM 177 C THR A 12 4.861 11.262 -10.910 1.00 0.00 C ATOM 178 O THR A 12 4.784 11.246 -12.123 1.00 0.00 O ATOM 179 CB THR A 12 6.418 13.107 -10.202 1.00 0.00 C ATOM 180 OG1 THR A 12 6.649 13.682 -11.480 1.00 0.00 O ATOM 181 CG2 THR A 12 7.400 11.958 -9.971 1.00 0.00 C ATOM 0 H THR A 12 5.562 12.272 -8.104 1.00 0.00 H new ATOM 0 HA THR A 12 4.274 13.273 -10.579 1.00 0.00 H new ATOM 0 HB THR A 12 6.562 13.864 -9.432 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.566 14.025 -11.524 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.421 12.337 -10.017 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.221 11.518 -8.990 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.260 11.199 -10.741 1.00 0.00 H new ATOM 189 N CYS A 13 4.837 10.158 -10.214 1.00 0.00 N ATOM 190 CA CYS A 13 4.714 8.842 -10.901 1.00 0.00 C ATOM 191 C CYS A 13 3.520 8.069 -10.338 1.00 0.00 C ATOM 192 O CYS A 13 2.836 8.543 -9.453 1.00 0.00 O ATOM 193 CB CYS A 13 6.021 8.110 -10.594 1.00 0.00 C ATOM 194 SG CYS A 13 6.787 7.567 -12.141 1.00 0.00 S ATOM 0 H CYS A 13 4.897 10.111 -9.197 1.00 0.00 H new ATOM 0 HA CYS A 13 4.551 8.947 -11.974 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.700 8.768 -10.051 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.827 7.251 -9.951 1.00 0.00 H new ATOM 0 HG CYS A 13 7.899 6.947 -11.880 1.00 0.00 H new ATOM 200 N PRO A 14 3.310 6.900 -10.874 1.00 0.00 N ATOM 201 CA PRO A 14 2.190 6.048 -10.425 1.00 0.00 C ATOM 202 C PRO A 14 2.585 5.256 -9.174 1.00 0.00 C ATOM 203 O PRO A 14 3.343 4.309 -9.244 1.00 0.00 O ATOM 204 CB PRO A 14 1.965 5.112 -11.606 1.00 0.00 C ATOM 205 CG PRO A 14 3.280 5.049 -12.326 1.00 0.00 C ATOM 206 CD PRO A 14 4.087 6.267 -11.941 1.00 0.00 C ATOM 0 HA PRO A 14 1.300 6.616 -10.156 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.655 4.123 -11.269 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.178 5.488 -12.260 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.816 4.138 -12.060 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.122 5.023 -13.404 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.083 5.990 -11.596 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.219 6.940 -12.788 1.00 0.00 H new ATOM 214 N TYR A 15 2.078 5.630 -8.032 1.00 0.00 N ATOM 215 CA TYR A 15 2.426 4.885 -6.788 1.00 0.00 C ATOM 216 C TYR A 15 2.231 3.383 -7.013 1.00 0.00 C ATOM 217 O TYR A 15 2.916 2.775 -7.809 1.00 0.00 O ATOM 218 CB TYR A 15 1.451 5.405 -5.728 1.00 0.00 C ATOM 219 CG TYR A 15 1.213 6.883 -5.934 1.00 0.00 C ATOM 220 CD1 TYR A 15 2.119 7.820 -5.421 1.00 0.00 C ATOM 221 CD2 TYR A 15 0.083 7.319 -6.638 1.00 0.00 C ATOM 222 CE1 TYR A 15 1.896 9.189 -5.612 1.00 0.00 C ATOM 223 CE2 TYR A 15 -0.140 8.688 -6.829 1.00 0.00 C ATOM 224 CZ TYR A 15 0.766 9.623 -6.316 1.00 0.00 C ATOM 225 OH TYR A 15 0.546 10.972 -6.503 1.00 0.00 O ATOM 0 H TYR A 15 1.440 6.416 -7.906 1.00 0.00 H new ATOM 0 HA TYR A 15 3.463 5.032 -6.488 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.507 4.863 -5.791 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.854 5.228 -4.731 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.991 7.486 -4.878 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.617 6.598 -7.034 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.596 9.910 -5.216 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.011 9.022 -7.372 1.00 0.00 H new ATOM 0 HH TYR A 15 0.649 11.192 -7.453 1.00 0.00 H new ATOM 235 N CYS A 16 1.301 2.785 -6.320 1.00 0.00 N ATOM 236 CA CYS A 16 1.052 1.318 -6.498 1.00 0.00 C ATOM 237 C CYS A 16 -0.421 1.002 -6.225 1.00 0.00 C ATOM 238 O CYS A 16 -0.742 -0.013 -5.638 1.00 0.00 O ATOM 239 CB CYS A 16 1.948 0.631 -5.462 1.00 0.00 C ATOM 240 SG CYS A 16 3.680 0.778 -5.962 1.00 0.00 S ATOM 0 H CYS A 16 0.700 3.246 -5.637 1.00 0.00 H new ATOM 0 HA CYS A 16 1.272 0.981 -7.511 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.802 1.086 -4.482 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.674 -0.420 -5.370 1.00 0.00 H new ATOM 0 HG CYS A 16 3.769 1.569 -6.990 1.00 0.00 H new ATOM 246 N PRO A 17 -1.270 1.894 -6.659 1.00 0.00 N ATOM 247 CA PRO A 17 -2.731 1.726 -6.459 1.00 0.00 C ATOM 248 C PRO A 17 -3.299 0.660 -7.403 1.00 0.00 C ATOM 249 O PRO A 17 -4.445 0.719 -7.799 1.00 0.00 O ATOM 250 CB PRO A 17 -3.297 3.098 -6.811 1.00 0.00 C ATOM 251 CG PRO A 17 -2.293 3.705 -7.738 1.00 0.00 C ATOM 252 CD PRO A 17 -0.947 3.138 -7.367 1.00 0.00 C ATOM 0 HA PRO A 17 -2.981 1.400 -5.449 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.273 3.012 -7.288 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.431 3.710 -5.919 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.536 3.473 -8.775 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.292 4.791 -7.647 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.337 2.948 -8.250 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.386 3.824 -6.733 1.00 0.00 H new ATOM 260 N MET A 18 -2.510 -0.310 -7.769 1.00 0.00 N ATOM 261 CA MET A 18 -3.016 -1.371 -8.690 1.00 0.00 C ATOM 262 C MET A 18 -3.260 -2.669 -7.919 1.00 0.00 C ATOM 263 O MET A 18 -4.347 -3.212 -7.927 1.00 0.00 O ATOM 264 CB MET A 18 -1.899 -1.569 -9.714 1.00 0.00 C ATOM 265 CG MET A 18 -2.424 -2.395 -10.888 1.00 0.00 C ATOM 266 SD MET A 18 -3.672 -1.440 -11.786 1.00 0.00 S ATOM 267 CE MET A 18 -3.011 -1.712 -13.447 1.00 0.00 C ATOM 0 H MET A 18 -1.540 -0.416 -7.473 1.00 0.00 H new ATOM 0 HA MET A 18 -3.960 -1.093 -9.158 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.540 -0.603 -10.067 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.052 -2.074 -9.250 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.604 -2.661 -11.555 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.855 -3.328 -10.526 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.639 -1.201 -14.177 1.00 0.00 H new ATOM 0 HE2 MET A 18 -1.996 -1.319 -13.503 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.999 -2.780 -13.663 1.00 0.00 H new ATOM 277 N ALA A 19 -2.257 -3.170 -7.253 1.00 0.00 N ATOM 278 CA ALA A 19 -2.437 -4.429 -6.483 1.00 0.00 C ATOM 279 C ALA A 19 -3.550 -4.246 -5.454 1.00 0.00 C ATOM 280 O ALA A 19 -4.135 -5.200 -4.982 1.00 0.00 O ATOM 281 CB ALA A 19 -1.095 -4.655 -5.790 1.00 0.00 C ATOM 0 H ALA A 19 -1.323 -2.762 -7.209 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.717 -5.274 -7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.141 -5.568 -5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.309 -4.748 -6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.875 -3.810 -5.138 1.00 0.00 H new ATOM 287 N ILE A 20 -3.860 -3.022 -5.121 1.00 0.00 N ATOM 288 CA ILE A 20 -4.944 -2.769 -4.129 1.00 0.00 C ATOM 289 C ILE A 20 -6.305 -3.054 -4.767 1.00 0.00 C ATOM 290 O ILE A 20 -7.177 -3.648 -4.163 1.00 0.00 O ATOM 291 CB ILE A 20 -4.817 -1.289 -3.780 1.00 0.00 C ATOM 292 CG1 ILE A 20 -5.487 -0.451 -4.872 1.00 0.00 C ATOM 293 CG2 ILE A 20 -3.338 -0.914 -3.684 1.00 0.00 C ATOM 294 CD1 ILE A 20 -5.189 1.029 -4.632 1.00 0.00 C ATOM 0 H ILE A 20 -3.409 -2.186 -5.493 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.862 -3.404 -3.247 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.303 -1.096 -2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.120 -0.752 -5.853 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.564 -0.622 -4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.246 0.143 -3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.860 -1.513 -2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.851 -1.105 -4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.666 1.627 -5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.577 1.325 -3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.112 1.192 -4.658 1.00 0.00 H new ATOM 306 N GLU A 21 -6.484 -2.642 -5.991 1.00 0.00 N ATOM 307 CA GLU A 21 -7.776 -2.897 -6.678 1.00 0.00 C ATOM 308 C GLU A 21 -8.099 -4.389 -6.588 1.00 0.00 C ATOM 309 O GLU A 21 -9.238 -4.783 -6.450 1.00 0.00 O ATOM 310 CB GLU A 21 -7.552 -2.459 -8.127 1.00 0.00 C ATOM 311 CG GLU A 21 -8.842 -2.657 -8.925 1.00 0.00 C ATOM 312 CD GLU A 21 -8.498 -2.973 -10.380 1.00 0.00 C ATOM 313 OE1 GLU A 21 -7.779 -3.933 -10.602 1.00 0.00 O ATOM 314 OE2 GLU A 21 -8.956 -2.249 -11.248 1.00 0.00 O ATOM 0 H GLU A 21 -5.790 -2.140 -6.544 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.614 -2.358 -6.235 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.249 -1.412 -8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.744 -3.039 -8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.428 -3.469 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.456 -1.758 -8.872 1.00 0.00 H new ATOM 321 N VAL A 22 -7.093 -5.219 -6.643 1.00 0.00 N ATOM 322 CA VAL A 22 -7.331 -6.689 -6.542 1.00 0.00 C ATOM 323 C VAL A 22 -7.724 -7.034 -5.104 1.00 0.00 C ATOM 324 O VAL A 22 -8.669 -7.757 -4.854 1.00 0.00 O ATOM 325 CB VAL A 22 -5.998 -7.331 -6.927 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.957 -8.767 -6.404 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.864 -7.341 -8.453 1.00 0.00 C ATOM 0 H VAL A 22 -6.117 -4.944 -6.753 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.136 -7.042 -7.187 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.177 -6.761 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.007 -9.227 -6.677 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.059 -8.762 -5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.776 -9.337 -6.842 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.915 -7.798 -8.732 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.684 -7.914 -8.886 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.898 -6.318 -8.828 1.00 0.00 H new ATOM 337 N VAL A 23 -7.015 -6.480 -4.160 1.00 0.00 N ATOM 338 CA VAL A 23 -7.343 -6.710 -2.723 1.00 0.00 C ATOM 339 C VAL A 23 -8.719 -6.111 -2.421 1.00 0.00 C ATOM 340 O VAL A 23 -9.463 -6.600 -1.587 1.00 0.00 O ATOM 341 CB VAL A 23 -6.232 -6.046 -1.914 1.00 0.00 C ATOM 342 CG1 VAL A 23 -6.844 -5.200 -0.800 1.00 0.00 C ATOM 343 CG2 VAL A 23 -5.365 -7.149 -1.295 1.00 0.00 C ATOM 0 H VAL A 23 -6.213 -5.871 -4.324 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.396 -7.769 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.630 -5.405 -2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.049 -4.727 -0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.483 -4.432 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.438 -5.837 -0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.563 -6.697 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.979 -7.773 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.936 -7.762 -2.087 1.00 0.00 H new ATOM 353 N ASP A 24 -9.049 -5.033 -3.088 1.00 0.00 N ATOM 354 CA ASP A 24 -10.375 -4.390 -2.867 1.00 0.00 C ATOM 355 C ASP A 24 -11.475 -5.298 -3.401 1.00 0.00 C ATOM 356 O ASP A 24 -12.527 -5.462 -2.808 1.00 0.00 O ATOM 357 CB ASP A 24 -10.318 -3.088 -3.664 1.00 0.00 C ATOM 358 CG ASP A 24 -11.359 -2.112 -3.119 1.00 0.00 C ATOM 359 OD1 ASP A 24 -12.004 -2.450 -2.140 1.00 0.00 O ATOM 360 OD2 ASP A 24 -11.494 -1.041 -3.688 1.00 0.00 O ATOM 0 H ASP A 24 -8.454 -4.572 -3.777 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.587 -4.209 -1.813 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.322 -2.650 -3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.507 -3.286 -4.719 1.00 0.00 H new ATOM 365 N GLU A 25 -11.214 -5.893 -4.527 1.00 0.00 N ATOM 366 CA GLU A 25 -12.193 -6.816 -5.148 1.00 0.00 C ATOM 367 C GLU A 25 -12.526 -7.938 -4.168 1.00 0.00 C ATOM 368 O GLU A 25 -13.675 -8.258 -3.932 1.00 0.00 O ATOM 369 CB GLU A 25 -11.464 -7.354 -6.381 1.00 0.00 C ATOM 370 CG GLU A 25 -12.269 -7.022 -7.635 1.00 0.00 C ATOM 371 CD GLU A 25 -12.073 -8.128 -8.672 1.00 0.00 C ATOM 372 OE1 GLU A 25 -11.082 -8.833 -8.575 1.00 0.00 O ATOM 373 OE2 GLU A 25 -12.915 -8.249 -9.545 1.00 0.00 O ATOM 0 H GLU A 25 -10.347 -5.775 -5.051 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.137 -6.339 -5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.469 -6.915 -6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.331 -8.433 -6.296 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.326 -6.924 -7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.948 -6.064 -8.044 1.00 0.00 H new ATOM 380 N ALA A 26 -11.518 -8.532 -3.591 1.00 0.00 N ATOM 381 CA ALA A 26 -11.753 -9.626 -2.612 1.00 0.00 C ATOM 382 C ALA A 26 -12.167 -9.057 -1.257 1.00 0.00 C ATOM 383 O ALA A 26 -13.017 -9.602 -0.580 1.00 0.00 O ATOM 384 CB ALA A 26 -10.414 -10.348 -2.495 1.00 0.00 C ATOM 0 H ALA A 26 -10.538 -8.304 -3.758 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.554 -10.292 -2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.506 -11.172 -1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.124 -10.738 -3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.654 -9.650 -2.143 1.00 0.00 H new ATOM 390 N LYS A 27 -11.567 -7.971 -0.844 1.00 0.00 N ATOM 391 CA LYS A 27 -11.926 -7.405 0.483 1.00 0.00 C ATOM 392 C LYS A 27 -13.318 -6.791 0.406 1.00 0.00 C ATOM 393 O LYS A 27 -13.998 -6.627 1.403 1.00 0.00 O ATOM 394 CB LYS A 27 -10.886 -6.314 0.720 1.00 0.00 C ATOM 395 CG LYS A 27 -9.609 -6.927 1.290 1.00 0.00 C ATOM 396 CD LYS A 27 -9.975 -8.096 2.206 1.00 0.00 C ATOM 397 CE LYS A 27 -10.148 -9.368 1.370 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.762 -9.789 1.022 1.00 0.00 N ATOM 0 H LYS A 27 -10.853 -7.459 -1.363 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.935 -8.150 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.666 -5.800 -0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.280 -5.567 1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.965 -7.272 0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.048 -6.176 1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.196 -8.243 2.954 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.896 -7.875 2.745 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.667 -10.144 1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.739 -9.175 0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.677 -10.821 1.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.553 -9.517 0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.087 -9.324 1.662 1.00 0.00 H new ATOM 412 N LYS A 28 -13.774 -6.510 -0.783 1.00 0.00 N ATOM 413 CA LYS A 28 -15.145 -5.976 -0.933 1.00 0.00 C ATOM 414 C LYS A 28 -16.105 -7.114 -0.622 1.00 0.00 C ATOM 415 O LYS A 28 -17.037 -6.978 0.143 1.00 0.00 O ATOM 416 CB LYS A 28 -15.259 -5.565 -2.402 1.00 0.00 C ATOM 417 CG LYS A 28 -15.457 -4.054 -2.501 1.00 0.00 C ATOM 418 CD LYS A 28 -16.799 -3.763 -3.174 1.00 0.00 C ATOM 419 CE LYS A 28 -16.720 -4.137 -4.656 1.00 0.00 C ATOM 420 NZ LYS A 28 -17.598 -5.333 -4.799 1.00 0.00 N ATOM 0 H LYS A 28 -13.254 -6.629 -1.652 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.367 -5.134 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.360 -5.860 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.096 -6.082 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.431 -3.606 -1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.645 -3.606 -3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.592 -4.330 -2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.050 -2.708 -3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.062 -3.318 -5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.695 -4.362 -4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.067 -6.100 -5.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.915 -5.645 -3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.425 -5.089 -5.380 1.00 0.00 H new ATOM 434 N GLU A 29 -15.841 -8.254 -1.202 1.00 0.00 N ATOM 435 CA GLU A 29 -16.698 -9.447 -0.965 1.00 0.00 C ATOM 436 C GLU A 29 -16.973 -9.604 0.529 1.00 0.00 C ATOM 437 O GLU A 29 -18.059 -9.947 0.946 1.00 0.00 O ATOM 438 CB GLU A 29 -15.836 -10.601 -1.476 1.00 0.00 C ATOM 439 CG GLU A 29 -15.496 -11.552 -0.325 1.00 0.00 C ATOM 440 CD GLU A 29 -16.613 -12.584 -0.174 1.00 0.00 C ATOM 441 OE1 GLU A 29 -17.430 -12.676 -1.076 1.00 0.00 O ATOM 442 OE2 GLU A 29 -16.631 -13.266 0.836 1.00 0.00 O ATOM 0 H GLU A 29 -15.058 -8.409 -1.837 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.670 -9.390 -1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.366 -11.141 -2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.920 -10.212 -1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.547 -12.052 -0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.376 -10.991 0.602 1.00 0.00 H new ATOM 449 N PHE A 30 -15.989 -9.320 1.322 1.00 0.00 N ATOM 450 CA PHE A 30 -16.153 -9.405 2.794 1.00 0.00 C ATOM 451 C PHE A 30 -16.543 -8.014 3.273 1.00 0.00 C ATOM 452 O PHE A 30 -17.683 -7.787 3.686 1.00 0.00 O ATOM 453 CB PHE A 30 -14.768 -9.821 3.340 1.00 0.00 C ATOM 454 CG PHE A 30 -14.242 -8.750 4.269 1.00 0.00 C ATOM 455 CD1 PHE A 30 -14.910 -8.468 5.462 1.00 0.00 C ATOM 456 CD2 PHE A 30 -13.091 -8.038 3.930 1.00 0.00 C ATOM 457 CE1 PHE A 30 -14.426 -7.472 6.314 1.00 0.00 C ATOM 458 CE2 PHE A 30 -12.607 -7.043 4.783 1.00 0.00 C ATOM 459 CZ PHE A 30 -13.276 -6.760 5.976 1.00 0.00 C ATOM 0 H PHE A 30 -15.063 -9.028 1.010 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.912 -10.115 3.122 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.846 -10.770 3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.072 -9.974 2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.800 -9.019 5.726 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.574 -8.256 3.007 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -14.944 -7.253 7.236 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.716 -6.493 4.520 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.903 -5.991 6.636 1.00 0.00 H new ATOM 469 N GLY A 31 -15.618 -7.068 3.227 1.00 0.00 N ATOM 470 CA GLY A 31 -16.009 -5.674 3.635 1.00 0.00 C ATOM 471 C GLY A 31 -16.643 -4.906 2.452 1.00 0.00 C ATOM 472 O GLY A 31 -15.961 -4.149 1.792 1.00 0.00 O ATOM 0 H GLY A 31 -14.649 -7.195 2.936 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.715 -5.719 4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.131 -5.137 3.993 1.00 0.00 H new ATOM 476 N ASP A 32 -17.908 -4.968 2.201 1.00 0.00 N ATOM 477 CA ASP A 32 -18.462 -4.133 1.078 1.00 0.00 C ATOM 478 C ASP A 32 -17.767 -2.756 1.017 1.00 0.00 C ATOM 479 O ASP A 32 -17.626 -2.143 -0.029 1.00 0.00 O ATOM 480 CB ASP A 32 -19.931 -3.994 1.429 1.00 0.00 C ATOM 481 CG ASP A 32 -20.407 -2.572 1.136 1.00 0.00 C ATOM 482 OD1 ASP A 32 -20.316 -2.161 -0.007 1.00 0.00 O ATOM 483 OD2 ASP A 32 -20.852 -1.917 2.066 1.00 0.00 O ATOM 0 H ASP A 32 -18.584 -5.543 2.703 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.305 -4.582 0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.520 -4.709 0.854 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -20.085 -4.228 2.482 1.00 0.00 H new ATOM 488 N LYS A 33 -17.319 -2.292 2.150 1.00 0.00 N ATOM 489 CA LYS A 33 -16.574 -0.990 2.234 1.00 0.00 C ATOM 490 C LYS A 33 -15.087 -1.127 1.854 1.00 0.00 C ATOM 491 O LYS A 33 -14.479 -2.159 2.057 1.00 0.00 O ATOM 492 CB LYS A 33 -16.760 -0.481 3.657 1.00 0.00 C ATOM 493 CG LYS A 33 -18.156 0.146 3.746 1.00 0.00 C ATOM 494 CD LYS A 33 -18.742 -0.153 5.120 1.00 0.00 C ATOM 495 CE LYS A 33 -18.897 -1.666 5.284 1.00 0.00 C ATOM 496 NZ LYS A 33 -19.775 -2.088 4.157 1.00 0.00 N ATOM 0 H LYS A 33 -17.437 -2.767 3.045 1.00 0.00 H new ATOM 0 HA LYS A 33 -16.971 -0.279 1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.661 -1.298 4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.994 0.254 3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.097 1.223 3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.801 -0.257 2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.092 0.244 5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -19.709 0.338 5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.931 -2.169 5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.343 -1.915 6.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.522 -2.716 4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.208 -1.249 3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.209 -2.594 3.446 1.00 0.00 H new ATOM 510 N ILE A 34 -14.466 -0.092 1.346 1.00 0.00 N ATOM 511 CA ILE A 34 -13.021 -0.217 1.031 1.00 0.00 C ATOM 512 C ILE A 34 -12.243 0.950 1.657 1.00 0.00 C ATOM 513 O ILE A 34 -12.798 1.984 1.975 1.00 0.00 O ATOM 514 CB ILE A 34 -12.935 -0.154 -0.483 1.00 0.00 C ATOM 515 CG1 ILE A 34 -13.845 -1.224 -1.078 1.00 0.00 C ATOM 516 CG2 ILE A 34 -11.493 -0.393 -0.932 1.00 0.00 C ATOM 517 CD1 ILE A 34 -13.650 -2.536 -0.318 1.00 0.00 C ATOM 0 H ILE A 34 -14.890 0.813 1.141 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.594 -1.139 1.424 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.252 0.831 -0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -14.886 -0.907 -1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -13.616 -1.365 -2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.438 -0.347 -2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.847 0.373 -0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.165 -1.376 -0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.300 -3.302 -0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.611 -2.854 -0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -13.900 -2.389 0.733 1.00 0.00 H new ATOM 529 N ASP A 35 -10.960 0.792 1.816 1.00 0.00 N ATOM 530 CA ASP A 35 -10.130 1.878 2.405 1.00 0.00 C ATOM 531 C ASP A 35 -8.715 1.774 1.847 1.00 0.00 C ATOM 532 O ASP A 35 -7.783 1.453 2.554 1.00 0.00 O ATOM 533 CB ASP A 35 -10.130 1.624 3.920 1.00 0.00 C ATOM 534 CG ASP A 35 -10.920 2.731 4.626 1.00 0.00 C ATOM 535 OD1 ASP A 35 -11.940 3.134 4.092 1.00 0.00 O ATOM 536 OD2 ASP A 35 -10.490 3.153 5.686 1.00 0.00 O ATOM 0 H ASP A 35 -10.446 -0.051 1.561 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.512 2.872 2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.574 0.652 4.136 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.107 1.598 4.295 1.00 0.00 H new ATOM 541 N VAL A 36 -8.530 2.072 0.596 1.00 0.00 N ATOM 542 CA VAL A 36 -7.163 1.949 0.037 1.00 0.00 C ATOM 543 C VAL A 36 -6.537 3.328 0.076 1.00 0.00 C ATOM 544 O VAL A 36 -7.066 4.272 -0.488 1.00 0.00 O ATOM 545 CB VAL A 36 -7.393 1.514 -1.427 1.00 0.00 C ATOM 546 CG1 VAL A 36 -6.067 1.471 -2.190 1.00 0.00 C ATOM 547 CG2 VAL A 36 -8.050 0.130 -1.482 1.00 0.00 C ATOM 0 H VAL A 36 -9.251 2.389 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.518 1.251 0.571 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.054 2.245 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.249 1.162 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.611 2.461 -2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.395 0.759 -1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.204 -0.159 -2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.403 -0.599 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.011 0.163 -0.969 1.00 0.00 H new ATOM 557 N GLU A 37 -5.419 3.449 0.753 1.00 0.00 N ATOM 558 CA GLU A 37 -4.780 4.783 0.894 1.00 0.00 C ATOM 559 C GLU A 37 -3.536 4.769 0.035 1.00 0.00 C ATOM 560 O GLU A 37 -2.923 3.752 -0.171 1.00 0.00 O ATOM 561 CB GLU A 37 -4.359 4.871 2.367 1.00 0.00 C ATOM 562 CG GLU A 37 -5.563 4.949 3.307 1.00 0.00 C ATOM 563 CD GLU A 37 -5.243 4.233 4.632 1.00 0.00 C ATOM 564 OE1 GLU A 37 -5.188 3.013 4.629 1.00 0.00 O ATOM 565 OE2 GLU A 37 -5.070 4.918 5.627 1.00 0.00 O ATOM 0 H GLU A 37 -4.928 2.681 1.210 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.429 5.610 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.755 4.000 2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.729 5.749 2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.818 5.991 3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.433 4.490 2.837 1.00 0.00 H new ATOM 572 N LYS A 38 -3.219 5.904 -0.501 1.00 0.00 N ATOM 573 CA LYS A 38 -2.080 6.037 -1.479 1.00 0.00 C ATOM 574 C LYS A 38 -1.273 7.322 -1.303 1.00 0.00 C ATOM 575 O LYS A 38 -1.772 8.417 -1.478 1.00 0.00 O ATOM 576 CB LYS A 38 -2.704 5.994 -2.869 1.00 0.00 C ATOM 577 CG LYS A 38 -3.775 7.058 -2.981 1.00 0.00 C ATOM 578 CD LYS A 38 -5.118 6.461 -2.575 1.00 0.00 C ATOM 579 CE LYS A 38 -5.594 5.494 -3.660 1.00 0.00 C ATOM 580 NZ LYS A 38 -5.581 6.292 -4.916 1.00 0.00 N ATOM 0 H LYS A 38 -3.707 6.778 -0.306 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.369 5.228 -1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.938 6.155 -3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.135 5.010 -3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.531 7.905 -2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.825 7.435 -4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.023 5.938 -1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.852 7.254 -2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.935 4.629 -3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.593 5.116 -3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.317 5.938 -5.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.766 7.291 -4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.651 6.205 -5.373 1.00 0.00 H new ATOM 594 N ILE A 39 -0.051 7.201 -0.865 1.00 0.00 N ATOM 595 CA ILE A 39 0.765 8.425 -0.637 1.00 0.00 C ATOM 596 C ILE A 39 1.933 8.562 -1.613 1.00 0.00 C ATOM 597 O ILE A 39 2.307 7.635 -2.302 1.00 0.00 O ATOM 598 CB ILE A 39 1.283 8.278 0.773 1.00 0.00 C ATOM 599 CG1 ILE A 39 0.832 6.933 1.314 1.00 0.00 C ATOM 600 CG2 ILE A 39 0.706 9.407 1.629 1.00 0.00 C ATOM 601 CD1 ILE A 39 0.932 6.950 2.834 1.00 0.00 C ATOM 0 H ILE A 39 0.414 6.317 -0.657 1.00 0.00 H new ATOM 0 HA ILE A 39 0.162 9.320 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 39 2.371 8.332 0.793 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.194 6.728 1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.452 6.136 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.073 9.312 2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.016 10.369 1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.382 9.345 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.610 5.987 3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.965 7.137 3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.293 7.738 3.232 1.00 0.00 H new ATOM 613 N ASP A 40 2.520 9.734 -1.662 1.00 0.00 N ATOM 614 CA ASP A 40 3.700 9.964 -2.554 1.00 0.00 C ATOM 615 C ASP A 40 5.027 9.911 -1.759 1.00 0.00 C ATOM 616 O ASP A 40 5.048 10.062 -0.553 1.00 0.00 O ATOM 617 CB ASP A 40 3.472 11.336 -3.163 1.00 0.00 C ATOM 618 CG ASP A 40 4.240 12.386 -2.371 1.00 0.00 C ATOM 619 OD1 ASP A 40 3.673 12.917 -1.434 1.00 0.00 O ATOM 620 OD2 ASP A 40 5.381 12.643 -2.718 1.00 0.00 O ATOM 0 H ASP A 40 2.230 10.547 -1.118 1.00 0.00 H new ATOM 0 HA ASP A 40 3.787 9.192 -3.318 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.798 11.341 -4.203 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.408 11.572 -3.162 1.00 0.00 H new ATOM 625 N ILE A 41 6.134 9.707 -2.427 1.00 0.00 N ATOM 626 CA ILE A 41 7.449 9.652 -1.710 1.00 0.00 C ATOM 627 C ILE A 41 7.752 10.998 -1.033 1.00 0.00 C ATOM 628 O ILE A 41 8.598 11.081 -0.167 1.00 0.00 O ATOM 629 CB ILE A 41 8.454 9.405 -2.833 1.00 0.00 C ATOM 630 CG1 ILE A 41 8.971 7.974 -2.750 1.00 0.00 C ATOM 631 CG2 ILE A 41 9.624 10.384 -2.711 1.00 0.00 C ATOM 632 CD1 ILE A 41 9.875 7.692 -3.949 1.00 0.00 C ATOM 0 H ILE A 41 6.186 9.576 -3.437 1.00 0.00 H new ATOM 0 HA ILE A 41 7.471 8.893 -0.928 1.00 0.00 H new ATOM 0 HB ILE A 41 7.962 9.557 -3.794 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.523 7.828 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.136 7.274 -2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 41 10.337 10.202 -3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.252 11.406 -2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 41 10.118 10.243 -1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.246 6.669 -3.892 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.308 7.821 -4.871 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.717 8.384 -3.941 1.00 0.00 H new ATOM 644 N MET A 42 7.070 12.053 -1.406 1.00 0.00 N ATOM 645 CA MET A 42 7.348 13.363 -0.744 1.00 0.00 C ATOM 646 C MET A 42 6.410 13.606 0.450 1.00 0.00 C ATOM 647 O MET A 42 6.649 14.473 1.271 1.00 0.00 O ATOM 648 CB MET A 42 7.080 14.398 -1.833 1.00 0.00 C ATOM 649 CG MET A 42 5.722 15.057 -1.601 1.00 0.00 C ATOM 650 SD MET A 42 5.953 16.604 -0.689 1.00 0.00 S ATOM 651 CE MET A 42 5.420 17.721 -2.007 1.00 0.00 C ATOM 0 H MET A 42 6.347 12.065 -2.126 1.00 0.00 H new ATOM 0 HA MET A 42 8.362 13.405 -0.347 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.866 15.153 -1.830 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.100 13.921 -2.813 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.233 15.254 -2.555 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.070 14.386 -1.041 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.482 18.752 -1.658 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.065 17.593 -2.876 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.390 17.493 -2.283 1.00 0.00 H new ATOM 661 N VAL A 43 5.360 12.846 0.564 1.00 0.00 N ATOM 662 CA VAL A 43 4.408 13.047 1.700 1.00 0.00 C ATOM 663 C VAL A 43 4.421 11.843 2.635 1.00 0.00 C ATOM 664 O VAL A 43 4.202 11.966 3.824 1.00 0.00 O ATOM 665 CB VAL A 43 3.035 13.186 1.035 1.00 0.00 C ATOM 666 CG1 VAL A 43 2.594 11.824 0.489 1.00 0.00 C ATOM 667 CG2 VAL A 43 2.014 13.671 2.068 1.00 0.00 C ATOM 0 H VAL A 43 5.115 12.092 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 43 4.670 13.915 2.305 1.00 0.00 H new ATOM 0 HB VAL A 43 3.098 13.905 0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.617 11.921 0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.320 11.474 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.531 11.107 1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.037 13.770 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.951 12.950 2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.326 14.638 2.462 1.00 0.00 H new ATOM 677 N ASP A 44 4.667 10.679 2.114 1.00 0.00 N ATOM 678 CA ASP A 44 4.681 9.487 2.991 1.00 0.00 C ATOM 679 C ASP A 44 6.101 8.921 3.088 1.00 0.00 C ATOM 680 O ASP A 44 6.274 7.719 3.127 1.00 0.00 O ATOM 681 CB ASP A 44 3.745 8.481 2.298 1.00 0.00 C ATOM 682 CG ASP A 44 3.786 7.144 3.040 1.00 0.00 C ATOM 683 OD1 ASP A 44 4.424 7.083 4.077 1.00 0.00 O ATOM 684 OD2 ASP A 44 3.180 6.201 2.555 1.00 0.00 O ATOM 0 H ASP A 44 4.857 10.503 1.127 1.00 0.00 H new ATOM 0 HA ASP A 44 4.360 9.713 4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.726 8.868 2.283 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.049 8.342 1.261 1.00 0.00 H new ATOM 689 N ARG A 45 7.127 9.744 3.125 1.00 0.00 N ATOM 690 CA ARG A 45 8.496 9.140 3.173 1.00 0.00 C ATOM 691 C ARG A 45 8.662 8.410 4.505 1.00 0.00 C ATOM 692 O ARG A 45 9.610 7.671 4.721 1.00 0.00 O ATOM 693 CB ARG A 45 9.391 10.375 3.232 1.00 0.00 C ATOM 694 CG ARG A 45 10.832 9.963 3.537 1.00 0.00 C ATOM 695 CD ARG A 45 11.181 10.298 4.999 1.00 0.00 C ATOM 696 NE ARG A 45 12.512 9.664 5.222 1.00 0.00 N ATOM 697 CZ ARG A 45 13.568 10.132 4.612 1.00 0.00 C ATOM 698 NH1 ARG A 45 13.762 9.867 3.349 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.430 10.863 5.265 1.00 0.00 N ATOM 0 H ARG A 45 7.081 10.763 3.124 1.00 0.00 H new ATOM 0 HA ARG A 45 8.701 8.453 2.352 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.350 10.910 2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.030 11.060 3.999 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.958 8.895 3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.516 10.480 2.864 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.223 11.375 5.160 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.433 9.902 5.686 1.00 0.00 H new ATOM 0 HE ARG A 45 12.598 8.865 5.851 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.089 9.295 2.839 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.586 10.232 2.872 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.279 11.069 6.253 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.254 11.228 4.788 1.00 0.00 H new ATOM 713 N GLU A 46 7.644 8.473 5.311 1.00 0.00 N ATOM 714 CA GLU A 46 7.622 7.707 6.587 1.00 0.00 C ATOM 715 C GLU A 46 7.741 6.203 6.259 1.00 0.00 C ATOM 716 O GLU A 46 8.042 5.406 7.122 1.00 0.00 O ATOM 717 CB GLU A 46 6.306 8.063 7.292 1.00 0.00 C ATOM 718 CG GLU A 46 6.463 9.473 7.884 1.00 0.00 C ATOM 719 CD GLU A 46 6.267 9.425 9.403 1.00 0.00 C ATOM 720 OE1 GLU A 46 7.006 8.709 10.057 1.00 0.00 O ATOM 721 OE2 GLU A 46 5.379 10.108 9.885 1.00 0.00 O ATOM 0 H GLU A 46 6.810 9.033 5.137 1.00 0.00 H new ATOM 0 HA GLU A 46 8.452 7.954 7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.474 8.034 6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.085 7.340 8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.451 9.868 7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.734 10.148 7.436 1.00 0.00 H new ATOM 728 N LYS A 47 7.416 5.814 5.051 1.00 0.00 N ATOM 729 CA LYS A 47 7.469 4.359 4.692 1.00 0.00 C ATOM 730 C LYS A 47 8.760 3.762 5.232 1.00 0.00 C ATOM 731 O LYS A 47 8.797 2.894 6.100 1.00 0.00 O ATOM 732 CB LYS A 47 7.435 4.312 3.168 1.00 0.00 C ATOM 733 CG LYS A 47 8.546 3.383 2.677 1.00 0.00 C ATOM 734 CD LYS A 47 8.294 1.968 3.208 1.00 0.00 C ATOM 735 CE LYS A 47 9.596 1.165 3.167 1.00 0.00 C ATOM 736 NZ LYS A 47 9.459 0.153 4.251 1.00 0.00 N ATOM 0 H LYS A 47 7.117 6.436 4.300 1.00 0.00 H new ATOM 0 HA LYS A 47 6.643 3.788 5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.465 3.954 2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.571 5.312 2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.574 3.375 1.587 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.516 3.745 3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.915 2.014 4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.531 1.474 2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.735 0.688 2.197 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.461 1.807 3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.815 -0.765 3.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.009 0.456 5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.457 0.060 4.515 1.00 0.00 H new ATOM 750 N ALA A 48 9.828 4.278 4.707 1.00 0.00 N ATOM 751 CA ALA A 48 11.191 3.869 5.151 1.00 0.00 C ATOM 752 C ALA A 48 11.371 4.061 6.676 1.00 0.00 C ATOM 753 O ALA A 48 12.358 3.623 7.264 1.00 0.00 O ATOM 754 CB ALA A 48 12.240 4.601 4.284 1.00 0.00 C ATOM 0 H ALA A 48 9.818 4.984 3.971 1.00 0.00 H new ATOM 0 HA ALA A 48 11.337 2.800 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.241 4.309 4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.098 4.333 3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.122 5.678 4.402 1.00 0.00 H new ATOM 760 N ILE A 49 10.484 4.759 7.337 1.00 0.00 N ATOM 761 CA ILE A 49 10.715 4.948 8.780 1.00 0.00 C ATOM 762 C ILE A 49 11.578 3.789 9.254 1.00 0.00 C ATOM 763 O ILE A 49 12.509 3.939 10.027 1.00 0.00 O ATOM 764 CB ILE A 49 9.350 4.947 9.479 1.00 0.00 C ATOM 765 CG1 ILE A 49 8.531 3.749 9.004 1.00 0.00 C ATOM 766 CG2 ILE A 49 8.605 6.241 9.144 1.00 0.00 C ATOM 767 CD1 ILE A 49 9.023 2.480 9.704 1.00 0.00 C ATOM 0 H ILE A 49 9.643 5.188 6.950 1.00 0.00 H new ATOM 0 HA ILE A 49 11.220 5.888 9.003 1.00 0.00 H new ATOM 0 HB ILE A 49 9.496 4.880 10.557 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.475 3.909 9.220 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.622 3.639 7.923 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.635 6.241 9.640 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.188 7.096 9.487 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.461 6.309 8.066 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.437 1.626 9.364 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.074 2.317 9.466 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.909 2.592 10.782 1.00 0.00 H new ATOM 779 N GLU A 50 11.286 2.645 8.716 1.00 0.00 N ATOM 780 CA GLU A 50 12.077 1.433 9.027 1.00 0.00 C ATOM 781 C GLU A 50 13.558 1.709 8.717 1.00 0.00 C ATOM 782 O GLU A 50 14.414 1.515 9.547 1.00 0.00 O ATOM 783 CB GLU A 50 11.509 0.360 8.098 1.00 0.00 C ATOM 784 CG GLU A 50 10.591 -0.570 8.894 1.00 0.00 C ATOM 785 CD GLU A 50 10.903 -2.021 8.533 1.00 0.00 C ATOM 786 OE1 GLU A 50 12.071 -2.331 8.366 1.00 0.00 O ATOM 787 OE2 GLU A 50 9.968 -2.798 8.426 1.00 0.00 O ATOM 0 H GLU A 50 10.518 2.497 8.062 1.00 0.00 H new ATOM 0 HA GLU A 50 12.019 1.129 10.072 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.955 0.826 7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.320 -0.211 7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.732 -0.411 9.963 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.547 -0.345 8.674 1.00 0.00 H new ATOM 794 N TYR A 51 13.856 2.179 7.530 1.00 0.00 N ATOM 795 CA TYR A 51 15.280 2.498 7.168 1.00 0.00 C ATOM 796 C TYR A 51 15.395 3.964 6.732 1.00 0.00 C ATOM 797 O TYR A 51 16.423 4.588 6.892 1.00 0.00 O ATOM 798 CB TYR A 51 15.633 1.573 6.004 1.00 0.00 C ATOM 799 CG TYR A 51 14.575 1.650 4.923 1.00 0.00 C ATOM 800 CD1 TYR A 51 13.283 1.173 5.166 1.00 0.00 C ATOM 801 CD2 TYR A 51 14.893 2.188 3.669 1.00 0.00 C ATOM 802 CE1 TYR A 51 12.313 1.232 4.157 1.00 0.00 C ATOM 803 CE2 TYR A 51 13.922 2.248 2.663 1.00 0.00 C ATOM 804 CZ TYR A 51 12.633 1.768 2.907 1.00 0.00 C ATOM 805 OH TYR A 51 11.678 1.820 1.911 1.00 0.00 O ATOM 0 H TYR A 51 13.175 2.357 6.792 1.00 0.00 H new ATOM 0 HA TYR A 51 15.953 2.353 8.013 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.603 1.852 5.592 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.722 0.547 6.361 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.033 0.759 6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.890 2.557 3.478 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.316 0.862 4.346 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.169 2.665 1.698 1.00 0.00 H new ATOM 0 HH TYR A 51 12.118 1.829 1.036 1.00 0.00 H new ATOM 815 N GLY A 52 14.340 4.515 6.190 1.00 0.00 N ATOM 816 CA GLY A 52 14.356 5.954 5.754 1.00 0.00 C ATOM 817 C GLY A 52 15.667 6.318 5.021 1.00 0.00 C ATOM 818 O GLY A 52 15.902 7.439 4.633 1.00 0.00 O ATOM 0 H GLY A 52 13.458 4.030 6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.507 6.144 5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.235 6.599 6.625 1.00 0.00 H new ATOM 822 N LEU A 53 16.477 5.317 4.812 1.00 0.00 N ATOM 823 CA LEU A 53 17.718 5.494 4.018 1.00 0.00 C ATOM 824 C LEU A 53 17.346 5.567 2.543 1.00 0.00 C ATOM 825 O LEU A 53 17.310 6.647 1.929 1.00 0.00 O ATOM 826 CB LEU A 53 18.675 4.323 4.368 1.00 0.00 C ATOM 827 CG LEU A 53 19.043 4.500 5.852 1.00 0.00 C ATOM 828 CD1 LEU A 53 19.286 3.131 6.454 1.00 0.00 C ATOM 829 CD2 LEU A 53 20.314 5.359 5.999 1.00 0.00 C ATOM 0 H LEU A 53 16.326 4.372 5.164 1.00 0.00 H new ATOM 0 HA LEU A 53 18.240 6.422 4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.191 3.361 4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.566 4.347 3.740 1.00 0.00 H new ATOM 0 HG LEU A 53 18.226 5.005 6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.548 3.238 7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 53 18.382 2.529 6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 53 20.103 2.640 5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 53 20.557 5.472 7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 53 21.144 4.872 5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 53 20.142 6.341 5.559 1.00 0.00 H new ATOM 841 N MET A 54 17.045 4.424 2.000 1.00 0.00 N ATOM 842 CA MET A 54 16.663 4.308 0.576 1.00 0.00 C ATOM 843 C MET A 54 15.123 4.277 0.533 1.00 0.00 C ATOM 844 O MET A 54 14.528 3.287 0.159 1.00 0.00 O ATOM 845 CB MET A 54 17.233 2.954 0.135 1.00 0.00 C ATOM 846 CG MET A 54 18.743 3.095 0.016 1.00 0.00 C ATOM 847 SD MET A 54 19.285 2.429 -1.573 1.00 0.00 S ATOM 848 CE MET A 54 18.574 0.778 -1.370 1.00 0.00 C ATOM 0 H MET A 54 17.050 3.538 2.505 1.00 0.00 H new ATOM 0 HA MET A 54 17.025 5.116 -0.059 1.00 0.00 H new ATOM 0 HB2 MET A 54 16.979 2.180 0.859 1.00 0.00 H new ATOM 0 HB3 MET A 54 16.802 2.652 -0.820 1.00 0.00 H new ATOM 0 HG2 MET A 54 19.029 4.143 0.100 1.00 0.00 H new ATOM 0 HG3 MET A 54 19.234 2.564 0.832 1.00 0.00 H new ATOM 0 HE1 MET A 54 19.208 0.045 -1.868 1.00 0.00 H new ATOM 0 HE2 MET A 54 18.507 0.539 -0.309 1.00 0.00 H new ATOM 0 HE3 MET A 54 17.577 0.754 -1.811 1.00 0.00 H new ATOM 858 N ALA A 55 14.457 5.342 0.915 1.00 0.00 N ATOM 859 CA ALA A 55 12.972 5.267 0.935 1.00 0.00 C ATOM 860 C ALA A 55 12.418 6.110 -0.197 1.00 0.00 C ATOM 861 O ALA A 55 12.471 7.328 -0.179 1.00 0.00 O ATOM 862 CB ALA A 55 12.609 5.956 2.260 1.00 0.00 C ATOM 0 H ALA A 55 14.866 6.230 1.204 1.00 0.00 H new ATOM 0 HA ALA A 55 12.590 4.251 0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.526 5.960 2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.067 5.416 3.088 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.976 6.982 2.249 1.00 0.00 H new ATOM 868 N VAL A 56 11.886 5.422 -1.185 1.00 0.00 N ATOM 869 CA VAL A 56 11.313 6.101 -2.388 1.00 0.00 C ATOM 870 C VAL A 56 10.128 5.324 -2.978 1.00 0.00 C ATOM 871 O VAL A 56 9.021 5.821 -2.958 1.00 0.00 O ATOM 872 CB VAL A 56 12.450 6.172 -3.397 1.00 0.00 C ATOM 873 CG1 VAL A 56 11.858 6.224 -4.805 1.00 0.00 C ATOM 874 CG2 VAL A 56 13.253 7.446 -3.135 1.00 0.00 C ATOM 0 H VAL A 56 11.826 4.404 -1.205 1.00 0.00 H new ATOM 0 HA VAL A 56 10.927 7.086 -2.126 1.00 0.00 H new ATOM 0 HB VAL A 56 13.097 5.300 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.664 6.275 -5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.263 5.328 -4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.224 7.106 -4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.073 7.513 -3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.604 8.315 -3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.656 7.420 -2.123 1.00 0.00 H new ATOM 884 N PRO A 57 10.363 4.132 -3.467 1.00 0.00 N ATOM 885 CA PRO A 57 9.228 3.342 -3.985 1.00 0.00 C ATOM 886 C PRO A 57 8.906 2.240 -2.992 1.00 0.00 C ATOM 887 O PRO A 57 9.613 1.249 -2.836 1.00 0.00 O ATOM 888 CB PRO A 57 9.859 2.634 -5.187 1.00 0.00 C ATOM 889 CG PRO A 57 11.347 2.532 -4.872 1.00 0.00 C ATOM 890 CD PRO A 57 11.674 3.518 -3.760 1.00 0.00 C ATOM 0 HA PRO A 57 8.340 3.941 -4.187 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.421 1.647 -5.334 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.691 3.197 -6.105 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.600 1.517 -4.565 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.938 2.753 -5.761 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.090 3.017 -2.886 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.405 4.260 -4.080 1.00 0.00 H new ATOM 898 N ALA A 58 7.815 2.490 -2.293 1.00 0.00 N ATOM 899 CA ALA A 58 7.344 1.596 -1.212 1.00 0.00 C ATOM 900 C ALA A 58 5.857 1.807 -0.915 1.00 0.00 C ATOM 901 O ALA A 58 5.188 2.647 -1.488 1.00 0.00 O ATOM 902 CB ALA A 58 8.159 1.980 0.026 1.00 0.00 C ATOM 0 H ALA A 58 7.223 3.307 -2.444 1.00 0.00 H new ATOM 0 HA ALA A 58 7.471 0.552 -1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.860 1.354 0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.220 1.833 -0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.978 3.027 0.270 1.00 0.00 H new ATOM 908 N ILE A 59 5.343 1.030 -0.020 1.00 0.00 N ATOM 909 CA ILE A 59 3.908 1.142 0.325 1.00 0.00 C ATOM 910 C ILE A 59 3.726 0.836 1.800 1.00 0.00 C ATOM 911 O ILE A 59 4.497 0.075 2.357 1.00 0.00 O ATOM 912 CB ILE A 59 3.247 0.068 -0.548 1.00 0.00 C ATOM 913 CG1 ILE A 59 3.091 0.612 -1.968 1.00 0.00 C ATOM 914 CG2 ILE A 59 1.871 -0.291 0.018 1.00 0.00 C ATOM 915 CD1 ILE A 59 3.961 -0.200 -2.929 1.00 0.00 C ATOM 0 H ILE A 59 5.858 0.315 0.494 1.00 0.00 H new ATOM 0 HA ILE A 59 3.484 2.131 0.153 1.00 0.00 H new ATOM 0 HB ILE A 59 3.868 -0.827 -0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.046 0.560 -2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.380 1.662 -1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.408 -1.054 -0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.983 -0.673 1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.240 0.598 0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.848 0.190 -3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.005 -0.125 -2.626 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.651 -1.245 -2.906 1.00 0.00 H new ATOM 927 N ALA A 60 2.722 1.352 2.451 1.00 0.00 N ATOM 928 CA ALA A 60 2.663 1.012 3.881 1.00 0.00 C ATOM 929 C ALA A 60 1.902 -0.274 3.881 1.00 0.00 C ATOM 930 O ALA A 60 1.152 -0.526 2.959 1.00 0.00 O ATOM 931 CB ALA A 60 1.809 2.165 4.478 1.00 0.00 C ATOM 0 H ALA A 60 1.988 1.955 2.079 1.00 0.00 H new ATOM 0 HA ALA A 60 3.603 0.908 4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.697 2.016 5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.305 3.118 4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.826 2.171 4.008 1.00 0.00 H new ATOM 937 N ILE A 61 2.073 -1.115 4.867 1.00 0.00 N ATOM 938 CA ILE A 61 1.374 -2.381 4.730 1.00 0.00 C ATOM 939 C ILE A 61 0.223 -2.239 5.655 1.00 0.00 C ATOM 940 O ILE A 61 0.292 -2.542 6.846 1.00 0.00 O ATOM 941 CB ILE A 61 2.398 -3.372 5.363 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.864 -2.961 5.061 1.00 0.00 C ATOM 943 CG2 ILE A 61 2.193 -4.817 4.951 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.833 -4.123 5.377 1.00 0.00 C ATOM 0 H ILE A 61 2.636 -0.977 5.706 1.00 0.00 H new ATOM 0 HA ILE A 61 1.052 -2.676 3.731 1.00 0.00 H new ATOM 0 HB ILE A 61 2.210 -3.307 6.435 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.959 -2.677 4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.131 -2.086 5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.944 -5.443 5.433 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.199 -5.144 5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.289 -4.904 3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.855 -3.814 5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.752 -4.388 6.431 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.576 -4.987 4.765 1.00 0.00 H new ATOM 956 N ASN A 62 -0.849 -1.790 5.031 1.00 0.00 N ATOM 957 CA ASN A 62 -2.122 -1.571 5.733 1.00 0.00 C ATOM 958 C ASN A 62 -2.428 -2.855 6.453 1.00 0.00 C ATOM 959 O ASN A 62 -3.103 -3.733 5.958 1.00 0.00 O ATOM 960 CB ASN A 62 -3.141 -1.246 4.631 1.00 0.00 C ATOM 961 CG ASN A 62 -3.617 0.207 4.783 1.00 0.00 C ATOM 962 OD1 ASN A 62 -4.741 0.527 4.457 1.00 0.00 O ATOM 963 ND2 ASN A 62 -2.807 1.113 5.267 1.00 0.00 N ATOM 0 H ASN A 62 -0.875 -1.566 4.036 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.121 -0.763 6.464 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.689 -1.391 3.650 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.990 -1.926 4.695 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.122 2.078 5.367 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.860 0.855 5.544 1.00 0.00 H new ATOM 970 N GLY A 63 -1.875 -2.980 7.611 1.00 0.00 N ATOM 971 CA GLY A 63 -2.062 -4.203 8.407 1.00 0.00 C ATOM 972 C GLY A 63 -0.971 -4.220 9.459 1.00 0.00 C ATOM 973 O GLY A 63 -1.209 -4.484 10.620 1.00 0.00 O ATOM 0 H GLY A 63 -1.288 -2.270 8.049 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.047 -4.212 8.873 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.001 -5.088 7.774 1.00 0.00 H new ATOM 977 N VAL A 64 0.232 -3.916 9.051 1.00 0.00 N ATOM 978 CA VAL A 64 1.372 -3.895 10.015 1.00 0.00 C ATOM 979 C VAL A 64 2.130 -2.557 9.942 1.00 0.00 C ATOM 980 O VAL A 64 2.227 -1.847 10.924 1.00 0.00 O ATOM 981 CB VAL A 64 2.253 -5.070 9.588 1.00 0.00 C ATOM 982 CG1 VAL A 64 1.387 -6.331 9.500 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.867 -4.785 8.215 1.00 0.00 C ATOM 0 H VAL A 64 0.476 -3.681 8.089 1.00 0.00 H new ATOM 0 HA VAL A 64 1.047 -3.987 11.051 1.00 0.00 H new ATOM 0 HB VAL A 64 3.051 -5.212 10.316 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.005 -7.176 9.196 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.944 -6.537 10.474 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.595 -6.178 8.767 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.494 -5.625 7.915 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.072 -4.646 7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.473 -3.881 8.268 1.00 0.00 H new ATOM 993 N VAL A 65 2.669 -2.191 8.804 1.00 0.00 N ATOM 994 CA VAL A 65 3.413 -0.880 8.740 1.00 0.00 C ATOM 995 C VAL A 65 3.656 -0.412 7.300 1.00 0.00 C ATOM 996 O VAL A 65 2.791 0.154 6.665 1.00 0.00 O ATOM 997 CB VAL A 65 4.752 -1.153 9.423 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.673 0.059 9.246 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.523 -1.400 10.914 1.00 0.00 C ATOM 0 H VAL A 65 2.632 -2.723 7.934 1.00 0.00 H new ATOM 0 HA VAL A 65 2.836 -0.089 9.219 1.00 0.00 H new ATOM 0 HB VAL A 65 5.215 -2.032 8.974 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.628 -0.136 9.733 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.838 0.239 8.184 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.209 0.937 9.695 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.478 -1.595 11.401 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.060 -0.521 11.362 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.867 -2.261 11.044 1.00 0.00 H new ATOM 1009 N ARG A 66 4.849 -0.613 6.801 1.00 0.00 N ATOM 1010 CA ARG A 66 5.188 -0.151 5.415 1.00 0.00 C ATOM 1011 C ARG A 66 6.458 -0.872 4.943 1.00 0.00 C ATOM 1012 O ARG A 66 7.200 -1.414 5.736 1.00 0.00 O ATOM 1013 CB ARG A 66 5.453 1.363 5.536 1.00 0.00 C ATOM 1014 CG ARG A 66 5.325 2.020 4.159 1.00 0.00 C ATOM 1015 CD ARG A 66 4.474 3.292 4.262 1.00 0.00 C ATOM 1016 NE ARG A 66 4.285 3.534 5.721 1.00 0.00 N ATOM 1017 CZ ARG A 66 4.978 4.463 6.324 1.00 0.00 C ATOM 1018 NH1 ARG A 66 4.628 5.717 6.216 1.00 0.00 N ATOM 1019 NH2 ARG A 66 6.021 4.138 7.035 1.00 0.00 N ATOM 0 H ARG A 66 5.609 -1.080 7.295 1.00 0.00 H new ATOM 0 HA ARG A 66 4.393 -0.361 4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.744 1.812 6.231 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.450 1.536 5.941 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.314 2.264 3.770 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.869 1.323 3.455 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.973 4.136 3.786 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.516 3.164 3.759 1.00 0.00 H new ATOM 0 HE ARG A 66 3.615 2.974 6.248 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.812 5.973 5.660 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.171 6.440 6.688 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.295 3.159 7.120 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.563 4.862 7.506 1.00 0.00 H new ATOM 1033 N PHE A 67 6.687 -0.941 3.654 1.00 0.00 N ATOM 1034 CA PHE A 67 7.882 -1.688 3.148 1.00 0.00 C ATOM 1035 C PHE A 67 8.444 -1.051 1.877 1.00 0.00 C ATOM 1036 O PHE A 67 7.922 -0.082 1.353 1.00 0.00 O ATOM 1037 CB PHE A 67 7.351 -3.085 2.802 1.00 0.00 C ATOM 1038 CG PHE A 67 6.994 -3.141 1.329 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.556 -1.987 0.659 1.00 0.00 C ATOM 1040 CD2 PHE A 67 7.105 -4.352 0.630 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.232 -2.050 -0.705 1.00 0.00 C ATOM 1042 CE2 PHE A 67 6.779 -4.411 -0.731 1.00 0.00 C ATOM 1043 CZ PHE A 67 6.343 -3.262 -1.398 1.00 0.00 C ATOM 0 H PHE A 67 6.103 -0.516 2.934 1.00 0.00 H new ATOM 0 HA PHE A 67 8.682 -1.693 3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.103 -3.839 3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.474 -3.313 3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.469 -1.052 1.193 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.443 -5.241 1.142 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.897 -1.163 -1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.865 -5.345 -1.266 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.092 -3.309 -2.447 1.00 0.00 H new ATOM 1053 N VAL A 68 9.515 -1.616 1.379 1.00 0.00 N ATOM 1054 CA VAL A 68 10.120 -1.110 0.117 1.00 0.00 C ATOM 1055 C VAL A 68 9.450 -1.767 -1.101 1.00 0.00 C ATOM 1056 O VAL A 68 9.477 -2.968 -1.243 1.00 0.00 O ATOM 1057 CB VAL A 68 11.608 -1.449 0.217 1.00 0.00 C ATOM 1058 CG1 VAL A 68 12.368 -0.687 -0.873 1.00 0.00 C ATOM 1059 CG2 VAL A 68 12.111 -0.999 1.592 1.00 0.00 C ATOM 0 H VAL A 68 9.997 -2.411 1.798 1.00 0.00 H new ATOM 0 HA VAL A 68 9.978 -0.037 -0.014 1.00 0.00 H new ATOM 0 HB VAL A 68 11.765 -2.520 0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.430 -0.923 -0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.990 -0.980 -1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.226 0.385 -0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.172 -1.231 1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.964 0.076 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.555 -1.521 2.371 1.00 0.00 H new ATOM 1069 N GLY A 69 8.861 -1.023 -1.994 1.00 0.00 N ATOM 1070 CA GLY A 69 8.245 -1.699 -3.178 1.00 0.00 C ATOM 1071 C GLY A 69 8.012 -0.692 -4.303 1.00 0.00 C ATOM 1072 O GLY A 69 7.151 0.162 -4.211 1.00 0.00 O ATOM 0 H GLY A 69 8.778 -0.007 -1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.896 -2.500 -3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.299 -2.159 -2.891 1.00 0.00 H new ATOM 1076 N ALA A 70 8.752 -0.790 -5.373 1.00 0.00 N ATOM 1077 CA ALA A 70 8.529 0.155 -6.504 1.00 0.00 C ATOM 1078 C ALA A 70 7.505 -0.459 -7.455 1.00 0.00 C ATOM 1079 O ALA A 70 6.340 -0.145 -7.382 1.00 0.00 O ATOM 1080 CB ALA A 70 9.885 0.329 -7.182 1.00 0.00 C ATOM 0 H ALA A 70 9.494 -1.476 -5.513 1.00 0.00 H new ATOM 0 HA ALA A 70 8.144 1.122 -6.180 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.786 1.015 -8.024 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.600 0.734 -6.466 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.239 -0.637 -7.541 1.00 0.00 H new ATOM 1086 N PRO A 71 7.951 -1.350 -8.291 1.00 0.00 N ATOM 1087 CA PRO A 71 7.006 -2.025 -9.210 1.00 0.00 C ATOM 1088 C PRO A 71 6.348 -3.192 -8.474 1.00 0.00 C ATOM 1089 O PRO A 71 5.774 -4.080 -9.076 1.00 0.00 O ATOM 1090 CB PRO A 71 7.921 -2.587 -10.293 1.00 0.00 C ATOM 1091 CG PRO A 71 9.259 -2.768 -9.628 1.00 0.00 C ATOM 1092 CD PRO A 71 9.341 -1.783 -8.489 1.00 0.00 C ATOM 0 HA PRO A 71 6.223 -1.369 -9.590 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.541 -3.534 -10.676 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.992 -1.905 -11.141 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.369 -3.788 -9.260 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.066 -2.598 -10.340 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.746 -2.246 -7.589 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.990 -0.942 -8.735 1.00 0.00 H new ATOM 1100 N SER A 72 6.411 -3.186 -7.165 1.00 0.00 N ATOM 1101 CA SER A 72 5.785 -4.292 -6.378 1.00 0.00 C ATOM 1102 C SER A 72 4.453 -3.841 -5.781 1.00 0.00 C ATOM 1103 O SER A 72 4.286 -3.788 -4.580 1.00 0.00 O ATOM 1104 CB SER A 72 6.781 -4.610 -5.267 1.00 0.00 C ATOM 1105 OG SER A 72 7.599 -5.703 -5.670 1.00 0.00 O ATOM 0 H SER A 72 6.868 -2.464 -6.609 1.00 0.00 H new ATOM 0 HA SER A 72 5.575 -5.161 -7.001 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.398 -3.737 -5.055 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.251 -4.857 -4.347 1.00 0.00 H new ATOM 0 HG SER A 72 8.242 -5.910 -4.960 1.00 0.00 H new ATOM 1111 N ARG A 73 3.490 -3.540 -6.608 1.00 0.00 N ATOM 1112 CA ARG A 73 2.158 -3.115 -6.077 1.00 0.00 C ATOM 1113 C ARG A 73 1.443 -4.329 -5.472 1.00 0.00 C ATOM 1114 O ARG A 73 0.827 -4.252 -4.427 1.00 0.00 O ATOM 1115 CB ARG A 73 1.389 -2.580 -7.281 1.00 0.00 C ATOM 1116 CG ARG A 73 1.507 -3.562 -8.443 1.00 0.00 C ATOM 1117 CD ARG A 73 0.168 -4.274 -8.649 1.00 0.00 C ATOM 1118 NE ARG A 73 -0.306 -3.821 -9.985 1.00 0.00 N ATOM 1119 CZ ARG A 73 -1.057 -4.603 -10.711 1.00 0.00 C ATOM 1120 NH1 ARG A 73 -1.923 -5.393 -10.137 1.00 0.00 N ATOM 1121 NH2 ARG A 73 -0.943 -4.595 -12.011 1.00 0.00 N ATOM 0 H ARG A 73 3.564 -3.569 -7.625 1.00 0.00 H new ATOM 0 HA ARG A 73 2.241 -2.359 -5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.341 -2.434 -7.020 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.783 -1.607 -7.573 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.793 -3.033 -9.352 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.291 -4.291 -8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.288 -5.357 -8.619 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.544 -4.010 -7.867 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.044 -2.899 -10.333 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.013 -5.399 -9.121 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.510 -6.004 -10.704 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.267 -3.977 -12.460 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.530 -5.206 -12.578 1.00 0.00 H new ATOM 1135 N GLU A 74 1.544 -5.462 -6.121 1.00 0.00 N ATOM 1136 CA GLU A 74 0.893 -6.694 -5.593 1.00 0.00 C ATOM 1137 C GLU A 74 1.170 -6.812 -4.097 1.00 0.00 C ATOM 1138 O GLU A 74 0.333 -7.240 -3.327 1.00 0.00 O ATOM 1139 CB GLU A 74 1.524 -7.856 -6.360 1.00 0.00 C ATOM 1140 CG GLU A 74 0.410 -8.708 -6.975 1.00 0.00 C ATOM 1141 CD GLU A 74 0.964 -9.490 -8.165 1.00 0.00 C ATOM 1142 OE1 GLU A 74 0.950 -8.953 -9.261 1.00 0.00 O ATOM 1143 OE2 GLU A 74 1.398 -10.611 -7.961 1.00 0.00 O ATOM 0 H GLU A 74 2.052 -5.584 -6.997 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.189 -6.683 -5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.184 -7.478 -7.141 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.136 -8.461 -5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.010 -9.395 -6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.414 -8.071 -7.297 1.00 0.00 H new ATOM 1150 N GLU A 75 2.353 -6.446 -3.684 1.00 0.00 N ATOM 1151 CA GLU A 75 2.691 -6.538 -2.238 1.00 0.00 C ATOM 1152 C GLU A 75 1.557 -5.930 -1.415 1.00 0.00 C ATOM 1153 O GLU A 75 1.190 -6.434 -0.373 1.00 0.00 O ATOM 1154 CB GLU A 75 3.969 -5.714 -2.084 1.00 0.00 C ATOM 1155 CG GLU A 75 5.134 -6.634 -1.728 1.00 0.00 C ATOM 1156 CD GLU A 75 5.418 -6.537 -0.229 1.00 0.00 C ATOM 1157 OE1 GLU A 75 4.678 -5.844 0.451 1.00 0.00 O ATOM 1158 OE2 GLU A 75 6.371 -7.156 0.212 1.00 0.00 O ATOM 0 H GLU A 75 3.097 -6.089 -4.284 1.00 0.00 H new ATOM 0 HA GLU A 75 2.828 -7.564 -1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.184 -5.181 -3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.837 -4.961 -1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.895 -7.663 -1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.021 -6.353 -2.296 1.00 0.00 H new ATOM 1165 N LEU A 76 0.977 -4.867 -1.897 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.158 -4.245 -1.165 1.00 0.00 C ATOM 1167 C LEU A 76 -1.336 -5.219 -1.142 1.00 0.00 C ATOM 1168 O LEU A 76 -2.011 -5.369 -0.146 1.00 0.00 O ATOM 1169 CB LEU A 76 -0.513 -2.996 -1.974 1.00 0.00 C ATOM 1170 CG LEU A 76 0.447 -1.862 -1.614 1.00 0.00 C ATOM 1171 CD1 LEU A 76 1.889 -2.324 -1.830 1.00 0.00 C ATOM 1172 CD2 LEU A 76 0.159 -0.653 -2.507 1.00 0.00 C ATOM 0 H LEU A 76 1.241 -4.403 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 76 0.088 -4.000 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.453 -3.212 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.540 -2.696 -1.767 1.00 0.00 H new ATOM 0 HG LEU A 76 0.309 -1.586 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.573 -1.515 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.093 -3.187 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.030 -2.600 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.842 0.158 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.298 -0.931 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.869 -0.324 -2.353 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.580 -5.886 -2.238 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.721 -6.851 -2.291 1.00 0.00 C ATOM 1186 C PHE A 77 -2.544 -7.927 -1.211 1.00 0.00 C ATOM 1187 O PHE A 77 -3.493 -8.394 -0.607 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.648 -7.457 -3.694 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.787 -8.958 -3.605 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -4.052 -9.533 -3.468 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -1.651 -9.771 -3.651 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -4.182 -10.921 -3.377 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -1.782 -11.159 -3.560 1.00 0.00 C ATOM 1194 CZ PHE A 77 -3.047 -11.734 -3.423 1.00 0.00 C ATOM 0 H PHE A 77 -1.040 -5.806 -3.100 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.686 -6.380 -2.106 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.439 -7.045 -4.321 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.700 -7.197 -4.165 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.930 -8.905 -3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.672 -9.326 -3.757 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.160 -11.366 -3.271 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.904 -11.787 -3.596 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.148 -12.807 -3.353 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.323 -8.319 -0.975 1.00 0.00 N ATOM 1205 CA GLU A 78 -1.035 -9.339 0.069 1.00 0.00 C ATOM 1206 C GLU A 78 -1.072 -8.709 1.461 1.00 0.00 C ATOM 1207 O GLU A 78 -1.394 -9.360 2.438 1.00 0.00 O ATOM 1208 CB GLU A 78 0.341 -9.918 -0.275 1.00 0.00 C ATOM 1209 CG GLU A 78 0.586 -11.165 0.582 1.00 0.00 C ATOM 1210 CD GLU A 78 -0.055 -12.390 -0.085 1.00 0.00 C ATOM 1211 OE1 GLU A 78 -1.261 -12.535 0.015 1.00 0.00 O ATOM 1212 OE2 GLU A 78 0.678 -13.163 -0.683 1.00 0.00 O ATOM 0 H GLU A 78 -0.502 -7.970 -1.469 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.784 -10.131 0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.388 -10.173 -1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.118 -9.176 -0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.657 -11.327 0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.167 -11.021 1.578 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.706 -7.462 1.567 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.708 -6.798 2.901 1.00 0.00 C ATOM 1221 C ALA A 79 -2.135 -6.565 3.396 1.00 0.00 C ATOM 1222 O ALA A 79 -2.433 -6.736 4.564 1.00 0.00 O ATOM 1223 CB ALA A 79 0.019 -5.471 2.675 1.00 0.00 C ATOM 0 H ALA A 79 -0.406 -6.874 0.789 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.223 -7.407 3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.062 -4.916 3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.031 -5.666 2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.518 -4.884 1.930 1.00 0.00 H new ATOM 1229 N ILE A 80 -3.026 -6.209 2.516 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.447 -5.985 2.932 1.00 0.00 C ATOM 1231 C ILE A 80 -5.039 -7.304 3.428 1.00 0.00 C ATOM 1232 O ILE A 80 -5.709 -7.379 4.445 1.00 0.00 O ATOM 1233 CB ILE A 80 -5.165 -5.480 1.690 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -4.675 -4.061 1.374 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.669 -5.444 1.965 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -3.290 -3.841 1.994 1.00 0.00 C ATOM 0 H ILE A 80 -2.837 -6.062 1.525 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.542 -5.266 3.746 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.960 -6.138 0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.628 -3.914 0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.380 -3.327 1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.192 -5.083 1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.018 -6.447 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.870 -4.776 2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.946 -2.832 1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.351 -3.969 3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.588 -4.565 1.582 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.766 -8.359 2.715 1.00 0.00 N ATOM 1249 CA ASN A 81 -5.215 -9.702 3.123 1.00 0.00 C ATOM 1250 C ASN A 81 -4.430 -10.140 4.351 1.00 0.00 C ATOM 1251 O ASN A 81 -4.891 -11.016 5.029 1.00 0.00 O ATOM 1252 CB ASN A 81 -4.996 -10.658 1.964 1.00 0.00 C ATOM 1253 CG ASN A 81 -4.420 -11.969 2.499 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -5.103 -12.735 3.157 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -3.179 -12.254 2.253 1.00 0.00 N ATOM 0 H ASN A 81 -4.235 -8.337 1.844 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.274 -9.695 3.379 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.937 -10.844 1.447 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.315 -10.217 1.236 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.774 -13.119 2.610 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.608 -11.613 1.702 1.00 0.00 H new ATOM 1262 N ASP A 82 -3.238 -9.616 4.620 1.00 0.00 N ATOM 1263 CA ASP A 82 -2.538 -10.140 5.811 1.00 0.00 C ATOM 1264 C ASP A 82 -2.743 -9.124 6.898 1.00 0.00 C ATOM 1265 O ASP A 82 -2.299 -9.286 8.069 1.00 0.00 O ATOM 1266 CB ASP A 82 -1.110 -10.033 5.409 1.00 0.00 C ATOM 1267 CG ASP A 82 -0.217 -9.901 6.650 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -0.046 -8.773 7.108 1.00 0.00 O ATOM 1269 OD2 ASP A 82 0.261 -10.906 7.110 1.00 0.00 O ATOM 0 H ASP A 82 -2.759 -8.890 4.087 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.853 -11.134 6.129 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.820 -10.913 4.835 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.972 -9.169 4.759 1.00 0.00 H new ATOM 1274 N GLU A 83 -3.489 -8.120 6.542 1.00 0.00 N ATOM 1275 CA GLU A 83 -3.835 -7.094 7.568 1.00 0.00 C ATOM 1276 C GLU A 83 -5.124 -7.640 8.153 1.00 0.00 C ATOM 1277 O GLU A 83 -5.232 -7.868 9.336 1.00 0.00 O ATOM 1278 CB GLU A 83 -4.107 -5.809 6.796 1.00 0.00 C ATOM 1279 CG GLU A 83 -5.487 -5.275 7.183 1.00 0.00 C ATOM 1280 CD GLU A 83 -5.595 -5.159 8.708 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -4.926 -4.307 9.262 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -6.346 -5.926 9.291 1.00 0.00 O ATOM 0 H GLU A 83 -3.868 -7.963 5.608 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.083 -6.901 8.333 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.341 -5.067 7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.064 -5.999 5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.651 -4.300 6.723 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.263 -5.941 6.805 1.00 0.00 H new ATOM 1289 N MET A 84 -6.124 -7.870 7.327 1.00 0.00 N ATOM 1290 CA MET A 84 -7.419 -8.385 7.878 1.00 0.00 C ATOM 1291 C MET A 84 -7.270 -9.834 8.347 1.00 0.00 C ATOM 1292 O MET A 84 -8.050 -10.327 9.136 1.00 0.00 O ATOM 1293 CB MET A 84 -8.372 -8.335 6.678 1.00 0.00 C ATOM 1294 CG MET A 84 -8.133 -9.564 5.788 1.00 0.00 C ATOM 1295 SD MET A 84 -9.521 -9.761 4.643 1.00 0.00 S ATOM 1296 CE MET A 84 -8.718 -10.908 3.494 1.00 0.00 C ATOM 0 H MET A 84 -6.100 -7.726 6.317 1.00 0.00 H new ATOM 0 HA MET A 84 -7.764 -7.806 8.735 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.406 -8.316 7.021 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.209 -7.421 6.107 1.00 0.00 H new ATOM 0 HG2 MET A 84 -7.203 -9.448 5.232 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.027 -10.457 6.404 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.464 -11.330 2.821 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.966 -10.374 2.913 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.240 -11.711 4.056 1.00 0.00 H new ATOM 1306 N GLU A 85 -6.250 -10.509 7.890 1.00 0.00 N ATOM 1307 CA GLU A 85 -6.038 -11.918 8.324 1.00 0.00 C ATOM 1308 C GLU A 85 -4.741 -12.027 9.126 1.00 0.00 C ATOM 1309 O GLU A 85 -3.699 -11.722 8.570 1.00 0.00 O ATOM 1310 CB GLU A 85 -5.940 -12.731 7.031 1.00 0.00 C ATOM 1311 CG GLU A 85 -6.055 -14.224 7.355 1.00 0.00 C ATOM 1312 CD GLU A 85 -7.481 -14.701 7.075 1.00 0.00 C ATOM 1313 OE1 GLU A 85 -8.392 -14.175 7.692 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -7.638 -15.582 6.246 1.00 0.00 O ATOM 1315 OXT GLU A 85 -4.812 -12.408 10.282 1.00 0.00 O ATOM 0 H GLU A 85 -5.556 -10.146 7.236 1.00 0.00 H new ATOM 0 HA GLU A 85 -6.844 -12.277 8.964 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.732 -12.436 6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.992 -12.528 6.533 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.346 -14.793 6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.800 -14.400 8.400 1.00 0.00 H new