USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 426 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 25 TYR OH : rot -71:sc= 0.0167 USER MOD Set 1.2: A 29 THR OG1 : rot 139:sc= 1 USER MOD Set 1.3: A 31 THR OG1 : rot 82:sc= 1.09 USER MOD Set 2.1: A 13 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 6 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 57 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.083) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0.0376 K(o=0.038,f=-7.7!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 23 LYS NZ :NH3+ 171:sc= 0.0614 (180deg=-0.00802) USER MOD Single : A 26 ASN : amide:sc= -5.21! K(o=-5.2!,f=-1.4) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -111:sc= 0.056 USER MOD Single : A 42 THR OG1 : rot -60:sc= -0.0194 USER MOD Single : A 43 THR OG1 : rot 103:sc= -0.169 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.49! K(o=-2.5!,f=-0.14) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 156:sc= 0.162 (180deg=0.0248) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 8.373 2.526 11.343 1.00 0.00 N ATOM 2 CA ARG A 1 7.706 2.891 10.069 1.00 0.00 C ATOM 3 C ARG A 1 8.560 2.453 8.887 1.00 0.00 C ATOM 4 O ARG A 1 9.626 3.019 8.639 1.00 0.00 O ATOM 5 CB ARG A 1 7.484 4.406 10.051 1.00 0.00 C ATOM 6 CG ARG A 1 6.478 4.871 9.012 1.00 0.00 C ATOM 7 CD ARG A 1 5.173 4.093 9.108 1.00 0.00 C ATOM 8 NE ARG A 1 4.087 4.730 8.363 1.00 0.00 N ATOM 9 CZ ARG A 1 3.312 5.698 8.863 1.00 0.00 C ATOM 10 NH1 ARG A 1 3.515 6.141 10.098 1.00 0.00 N ATOM 11 NH2 ARG A 1 2.344 6.223 8.127 1.00 0.00 N ATOM 0 H1 ARG A 1 7.782 2.829 12.143 1.00 0.00 H new ATOM 0 H2 ARG A 1 8.507 1.495 11.382 1.00 0.00 H new ATOM 0 H3 ARG A 1 9.298 2.997 11.398 1.00 0.00 H new ATOM 0 HA ARG A 1 6.744 2.385 9.990 1.00 0.00 H new ATOM 0 HB2 ARG A 1 7.146 4.725 11.037 1.00 0.00 H new ATOM 0 HB3 ARG A 1 8.438 4.900 9.865 1.00 0.00 H new ATOM 0 HG2 ARG A 1 6.279 5.934 9.147 1.00 0.00 H new ATOM 0 HG3 ARG A 1 6.902 4.750 8.015 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.327 3.083 8.728 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.885 3.999 10.155 1.00 0.00 H new ATOM 0 HE ARG A 1 3.911 4.418 7.408 1.00 0.00 H new ATOM 0 HH11 ARG A 1 4.263 5.743 10.666 1.00 0.00 H new ATOM 0 HH12 ARG A 1 2.923 6.880 10.479 1.00 0.00 H new ATOM 0 HH21 ARG A 1 2.188 5.889 7.176 1.00 0.00 H new ATOM 0 HH22 ARG A 1 1.754 6.961 8.511 1.00 0.00 H new ATOM 27 N ILE A 2 8.098 1.423 8.180 1.00 0.00 N ATOM 28 CA ILE A 2 8.831 0.883 7.041 1.00 0.00 C ATOM 29 C ILE A 2 8.919 1.878 5.887 1.00 0.00 C ATOM 30 O ILE A 2 8.033 2.714 5.686 1.00 0.00 O ATOM 31 CB ILE A 2 8.208 -0.451 6.522 1.00 0.00 C ATOM 32 CG1 ILE A 2 6.716 -0.250 6.236 1.00 0.00 C ATOM 33 CG2 ILE A 2 8.405 -1.628 7.508 1.00 0.00 C ATOM 34 CD1 ILE A 2 5.996 -1.528 5.860 1.00 0.00 C ATOM 0 H ILE A 2 7.218 0.947 8.378 1.00 0.00 H new ATOM 0 HA ILE A 2 9.838 0.683 7.408 1.00 0.00 H new ATOM 0 HB ILE A 2 8.733 -0.715 5.604 1.00 0.00 H new ATOM 0 HG12 ILE A 2 6.240 0.180 7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 2 6.603 0.473 5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.952 -2.529 7.094 1.00 0.00 H new ATOM 0 HG22 ILE A 2 9.470 -1.797 7.665 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.932 -1.388 8.460 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.945 -1.311 5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.447 -1.949 4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 2 6.078 -2.245 6.677 1.00 0.00 H new ATOM 46 N PRO A 3 10.027 1.802 5.133 1.00 0.00 N ATOM 47 CA PRO A 3 10.314 2.686 4.006 1.00 0.00 C ATOM 48 C PRO A 3 9.771 2.190 2.665 1.00 0.00 C ATOM 49 O PRO A 3 10.076 2.778 1.624 1.00 0.00 O ATOM 50 CB PRO A 3 11.853 2.709 3.970 1.00 0.00 C ATOM 51 CG PRO A 3 12.323 1.689 4.969 1.00 0.00 C ATOM 52 CD PRO A 3 11.125 0.861 5.337 1.00 0.00 C ATOM 0 HA PRO A 3 9.838 3.657 4.143 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.220 2.471 2.972 1.00 0.00 H new ATOM 0 HB3 PRO A 3 12.231 3.700 4.221 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.109 1.065 4.544 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.743 2.175 5.850 1.00 0.00 H new ATOM 0 HD2 PRO A 3 11.029 -0.021 4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.174 0.509 6.367 1.00 0.00 H new ATOM 60 N VAL A 4 8.984 1.108 2.694 1.00 0.00 N ATOM 61 CA VAL A 4 8.403 0.526 1.475 1.00 0.00 C ATOM 62 C VAL A 4 9.467 -0.218 0.669 1.00 0.00 C ATOM 63 O VAL A 4 10.648 0.140 0.671 1.00 0.00 O ATOM 64 CB VAL A 4 7.714 1.610 0.594 1.00 0.00 C ATOM 65 CG1 VAL A 4 7.142 1.018 -0.679 1.00 0.00 C ATOM 66 CG2 VAL A 4 6.618 2.328 1.374 1.00 0.00 C ATOM 0 H VAL A 4 8.733 0.615 3.551 1.00 0.00 H new ATOM 0 HA VAL A 4 7.639 -0.186 1.786 1.00 0.00 H new ATOM 0 HB VAL A 4 8.481 2.332 0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.670 1.806 -1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.943 0.562 -1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.401 0.260 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.152 3.080 0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.866 1.606 1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.052 2.812 2.249 1.00 0.00 H new ATOM 76 N LYS A 5 9.043 -1.277 -0.006 1.00 0.00 N ATOM 77 CA LYS A 5 9.950 -2.086 -0.794 1.00 0.00 C ATOM 78 C LYS A 5 9.989 -1.646 -2.256 1.00 0.00 C ATOM 79 O LYS A 5 10.647 -0.668 -2.605 1.00 0.00 O ATOM 80 CB LYS A 5 9.552 -3.562 -0.701 1.00 0.00 C ATOM 81 CG LYS A 5 10.221 -4.344 0.425 1.00 0.00 C ATOM 82 CD LYS A 5 11.744 -4.355 0.310 1.00 0.00 C ATOM 83 CE LYS A 5 12.390 -4.979 1.544 1.00 0.00 C ATOM 84 NZ LYS A 5 13.874 -5.071 1.430 1.00 0.00 N ATOM 0 H LYS A 5 8.073 -1.593 -0.021 1.00 0.00 H new ATOM 0 HA LYS A 5 10.951 -1.950 -0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.471 -3.623 -0.572 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.788 -4.046 -1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.936 -3.909 1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.853 -5.370 0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.039 -4.913 -0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.108 -3.336 0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.133 -4.387 2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.979 -5.976 1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.262 -5.501 2.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.123 -5.658 0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.273 -4.118 1.309 1.00 0.00 H new ATOM 98 N TYR A 6 9.306 -2.396 -3.111 1.00 0.00 N ATOM 99 CA TYR A 6 9.296 -2.111 -4.543 1.00 0.00 C ATOM 100 C TYR A 6 8.008 -1.415 -4.970 1.00 0.00 C ATOM 101 O TYR A 6 7.061 -1.309 -4.192 1.00 0.00 O ATOM 102 CB TYR A 6 9.477 -3.415 -5.332 1.00 0.00 C ATOM 103 CG TYR A 6 10.459 -4.375 -4.683 1.00 0.00 C ATOM 104 CD1 TYR A 6 10.037 -5.302 -3.734 1.00 0.00 C ATOM 105 CD2 TYR A 6 11.814 -4.326 -4.989 1.00 0.00 C ATOM 106 CE1 TYR A 6 10.932 -6.150 -3.117 1.00 0.00 C ATOM 107 CE2 TYR A 6 12.710 -5.175 -4.379 1.00 0.00 C ATOM 108 CZ TYR A 6 12.267 -6.082 -3.445 1.00 0.00 C ATOM 109 OH TYR A 6 13.167 -6.918 -2.834 1.00 0.00 O ATOM 0 H TYR A 6 8.751 -3.207 -2.839 1.00 0.00 H new ATOM 0 HA TYR A 6 10.123 -1.435 -4.758 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.510 -3.908 -5.434 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.821 -3.178 -6.339 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.990 -5.358 -3.476 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.169 -3.611 -5.716 1.00 0.00 H new ATOM 0 HE1 TYR A 6 10.588 -6.862 -2.382 1.00 0.00 H new ATOM 0 HE2 TYR A 6 13.759 -5.129 -4.633 1.00 0.00 H new ATOM 0 HH TYR A 6 14.066 -6.740 -3.181 1.00 0.00 H new ATOM 119 N GLY A 7 7.988 -0.951 -6.217 1.00 0.00 N ATOM 120 CA GLY A 7 6.827 -0.268 -6.751 1.00 0.00 C ATOM 121 C GLY A 7 7.172 1.085 -7.318 1.00 0.00 C ATOM 122 O GLY A 7 8.285 1.298 -7.801 1.00 0.00 O ATOM 0 H GLY A 7 8.765 -1.039 -6.871 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.373 -0.881 -7.530 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.083 -0.151 -5.963 1.00 0.00 H new ATOM 126 N ASN A 8 6.222 1.998 -7.274 1.00 0.00 N ATOM 127 CA ASN A 8 6.428 3.345 -7.806 1.00 0.00 C ATOM 128 C ASN A 8 6.205 4.408 -6.727 1.00 0.00 C ATOM 129 O ASN A 8 5.819 5.546 -7.018 1.00 0.00 O ATOM 130 CB ASN A 8 5.488 3.574 -8.992 1.00 0.00 C ATOM 131 CG ASN A 8 4.044 3.722 -8.564 1.00 0.00 C ATOM 132 OD1 ASN A 8 3.579 3.040 -7.648 1.00 0.00 O ATOM 133 ND2 ASN A 8 3.311 4.583 -9.246 1.00 0.00 N ATOM 0 H ASN A 8 5.296 1.839 -6.876 1.00 0.00 H new ATOM 0 HA ASN A 8 7.461 3.433 -8.143 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.798 4.470 -9.530 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.574 2.739 -9.687 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.323 4.702 -9.022 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.733 5.129 -9.997 1.00 0.00 H new ATOM 140 N ALA A 9 6.441 4.022 -5.480 1.00 0.00 N ATOM 141 CA ALA A 9 6.264 4.909 -4.332 1.00 0.00 C ATOM 142 C ALA A 9 7.552 5.640 -3.948 1.00 0.00 C ATOM 143 O ALA A 9 7.554 6.445 -3.015 1.00 0.00 O ATOM 144 CB ALA A 9 5.734 4.109 -3.162 1.00 0.00 C ATOM 0 H ALA A 9 6.761 3.085 -5.233 1.00 0.00 H new ATOM 0 HA ALA A 9 5.546 5.680 -4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.600 4.766 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.776 3.663 -3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.443 3.321 -2.909 1.00 0.00 H new ATOM 150 N ASP A 10 8.628 5.361 -4.684 1.00 0.00 N ATOM 151 CA ASP A 10 9.938 5.988 -4.463 1.00 0.00 C ATOM 152 C ASP A 10 10.509 5.679 -3.074 1.00 0.00 C ATOM 153 O ASP A 10 11.133 4.634 -2.870 1.00 0.00 O ATOM 154 CB ASP A 10 9.850 7.507 -4.675 1.00 0.00 C ATOM 155 CG ASP A 10 11.203 8.179 -4.723 1.00 0.00 C ATOM 156 OD1 ASP A 10 12.226 7.469 -4.743 1.00 0.00 O ATOM 157 OD2 ASP A 10 11.239 9.423 -4.762 1.00 0.00 O ATOM 0 H ASP A 10 8.619 4.692 -5.454 1.00 0.00 H new ATOM 0 HA ASP A 10 10.622 5.560 -5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.318 7.708 -5.605 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.261 7.947 -3.870 1.00 0.00 H new ATOM 162 N GLY A 11 10.313 6.594 -2.129 1.00 0.00 N ATOM 163 CA GLY A 11 10.842 6.398 -0.798 1.00 0.00 C ATOM 164 C GLY A 11 9.922 6.870 0.309 1.00 0.00 C ATOM 165 O GLY A 11 10.378 7.137 1.423 1.00 0.00 O ATOM 0 H GLY A 11 9.798 7.464 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.052 5.338 -0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.793 6.925 -0.715 1.00 0.00 H new ATOM 169 N GLU A 12 8.630 6.962 0.025 1.00 0.00 N ATOM 170 CA GLU A 12 7.664 7.382 1.034 1.00 0.00 C ATOM 171 C GLU A 12 7.329 6.212 1.946 1.00 0.00 C ATOM 172 O GLU A 12 7.769 5.090 1.708 1.00 0.00 O ATOM 173 CB GLU A 12 6.381 7.904 0.386 1.00 0.00 C ATOM 174 CG GLU A 12 6.403 9.382 0.023 1.00 0.00 C ATOM 175 CD GLU A 12 7.166 9.675 -1.245 1.00 0.00 C ATOM 176 OE1 GLU A 12 6.735 9.208 -2.314 1.00 0.00 O ATOM 177 OE2 GLU A 12 8.177 10.394 -1.174 1.00 0.00 O ATOM 0 H GLU A 12 8.227 6.753 -0.889 1.00 0.00 H new ATOM 0 HA GLU A 12 8.111 8.188 1.615 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.186 7.326 -0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.548 7.724 1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.378 9.737 -0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.848 9.944 0.844 1.00 0.00 H new ATOM 184 N TYR A 13 6.549 6.471 2.985 1.00 0.00 N ATOM 185 CA TYR A 13 6.156 5.435 3.913 1.00 0.00 C ATOM 186 C TYR A 13 4.734 4.965 3.626 1.00 0.00 C ATOM 187 O TYR A 13 4.013 5.598 2.852 1.00 0.00 O ATOM 188 CB TYR A 13 6.292 5.935 5.349 1.00 0.00 C ATOM 189 CG TYR A 13 5.431 7.116 5.731 1.00 0.00 C ATOM 190 CD1 TYR A 13 4.510 7.677 4.857 1.00 0.00 C ATOM 191 CD2 TYR A 13 5.543 7.656 6.996 1.00 0.00 C ATOM 192 CE1 TYR A 13 3.727 8.749 5.237 1.00 0.00 C ATOM 193 CE2 TYR A 13 4.762 8.725 7.394 1.00 0.00 C ATOM 194 CZ TYR A 13 3.856 9.270 6.507 1.00 0.00 C ATOM 195 OH TYR A 13 3.060 10.324 6.898 1.00 0.00 O ATOM 0 H TYR A 13 6.177 7.396 3.202 1.00 0.00 H new ATOM 0 HA TYR A 13 6.820 4.580 3.785 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.059 5.110 6.022 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.335 6.202 5.521 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.404 7.268 3.863 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.256 7.235 7.690 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.018 9.177 4.544 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.860 9.130 8.390 1.00 0.00 H new ATOM 0 HH TYR A 13 3.275 10.571 7.822 1.00 0.00 H new ATOM 205 N CYS A 14 4.320 3.875 4.258 1.00 0.00 N ATOM 206 CA CYS A 14 2.968 3.377 4.068 1.00 0.00 C ATOM 207 C CYS A 14 1.985 4.384 4.642 1.00 0.00 C ATOM 208 O CYS A 14 2.109 4.786 5.803 1.00 0.00 O ATOM 209 CB CYS A 14 2.782 2.016 4.734 1.00 0.00 C ATOM 210 SG CYS A 14 3.634 0.646 3.887 1.00 0.00 S ATOM 0 H CYS A 14 4.894 3.326 4.898 1.00 0.00 H new ATOM 0 HA CYS A 14 2.785 3.249 3.001 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.144 2.074 5.761 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.717 1.791 4.783 1.00 0.00 H new ATOM 215 N LYS A 15 1.033 4.820 3.831 1.00 0.00 N ATOM 216 CA LYS A 15 0.064 5.806 4.282 1.00 0.00 C ATOM 217 C LYS A 15 -1.063 5.138 5.044 1.00 0.00 C ATOM 218 O LYS A 15 -1.850 4.379 4.475 1.00 0.00 O ATOM 219 CB LYS A 15 -0.497 6.612 3.106 1.00 0.00 C ATOM 220 CG LYS A 15 -1.174 7.903 3.534 1.00 0.00 C ATOM 221 CD LYS A 15 -0.270 8.720 4.449 1.00 0.00 C ATOM 222 CE LYS A 15 -0.906 10.045 4.845 1.00 0.00 C ATOM 223 NZ LYS A 15 -0.016 10.830 5.738 1.00 0.00 N ATOM 0 H LYS A 15 0.911 4.510 2.867 1.00 0.00 H new ATOM 0 HA LYS A 15 0.580 6.495 4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.313 6.846 2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.213 5.997 2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.432 8.491 2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.107 7.674 4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.046 8.143 5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.679 8.909 3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.128 10.625 3.949 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.855 9.859 5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.479 11.727 5.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.176 10.285 6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.880 11.028 5.248 1.00 0.00 H new ATOM 237 N PHE A 16 -1.128 5.426 6.334 1.00 0.00 N ATOM 238 CA PHE A 16 -2.151 4.864 7.204 1.00 0.00 C ATOM 239 C PHE A 16 -2.981 5.982 7.824 1.00 0.00 C ATOM 240 O PHE A 16 -2.451 6.823 8.548 1.00 0.00 O ATOM 241 CB PHE A 16 -1.504 4.020 8.311 1.00 0.00 C ATOM 242 CG PHE A 16 -0.751 2.816 7.811 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.053 2.245 6.588 1.00 0.00 C ATOM 244 CD2 PHE A 16 0.255 2.254 8.576 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.365 1.140 6.131 1.00 0.00 C ATOM 246 CE2 PHE A 16 0.951 1.148 8.128 1.00 0.00 C ATOM 247 CZ PHE A 16 0.642 0.585 6.900 1.00 0.00 C ATOM 0 H PHE A 16 -0.477 6.053 6.807 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.802 4.224 6.608 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.821 4.650 8.880 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.281 3.688 9.000 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.839 2.670 5.982 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.499 2.685 9.536 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.613 0.708 5.173 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.736 0.722 8.735 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.183 -0.280 6.546 1.00 0.00 H new ATOM 257 N PRO A 17 -4.293 6.015 7.549 1.00 0.00 N ATOM 258 CA PRO A 17 -4.974 5.048 6.701 1.00 0.00 C ATOM 259 C PRO A 17 -5.046 5.502 5.246 1.00 0.00 C ATOM 260 O PRO A 17 -5.087 6.702 4.964 1.00 0.00 O ATOM 261 CB PRO A 17 -6.382 4.998 7.306 1.00 0.00 C ATOM 262 CG PRO A 17 -6.546 6.266 8.107 1.00 0.00 C ATOM 263 CD PRO A 17 -5.235 7.013 8.060 1.00 0.00 C ATOM 0 HA PRO A 17 -4.460 4.087 6.676 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.139 4.932 6.524 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.501 4.120 7.940 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.349 6.877 7.695 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.818 6.035 9.137 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.292 7.883 7.406 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.943 7.374 9.046 1.00 0.00 H new ATOM 271 N PHE A 18 -5.091 4.548 4.328 1.00 0.00 N ATOM 272 CA PHE A 18 -5.193 4.883 2.915 1.00 0.00 C ATOM 273 C PHE A 18 -6.533 4.414 2.369 1.00 0.00 C ATOM 274 O PHE A 18 -7.048 3.370 2.770 1.00 0.00 O ATOM 275 CB PHE A 18 -4.010 4.320 2.106 1.00 0.00 C ATOM 276 CG PHE A 18 -3.957 2.820 1.968 1.00 0.00 C ATOM 277 CD1 PHE A 18 -4.673 2.170 0.973 1.00 0.00 C ATOM 278 CD2 PHE A 18 -3.167 2.063 2.816 1.00 0.00 C ATOM 279 CE1 PHE A 18 -4.603 0.798 0.827 1.00 0.00 C ATOM 280 CE2 PHE A 18 -3.094 0.686 2.679 1.00 0.00 C ATOM 281 CZ PHE A 18 -3.812 0.051 1.685 1.00 0.00 C ATOM 0 H PHE A 18 -5.059 3.549 4.531 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.142 5.967 2.812 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.039 4.756 1.107 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.084 4.655 2.574 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.294 2.745 0.303 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.600 2.552 3.594 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.164 0.308 0.045 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.475 0.109 3.350 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.757 -1.022 1.577 1.00 0.00 H new ATOM 291 N LEU A 19 -7.109 5.214 1.480 1.00 0.00 N ATOM 292 CA LEU A 19 -8.410 4.925 0.895 1.00 0.00 C ATOM 293 C LEU A 19 -8.307 3.973 -0.292 1.00 0.00 C ATOM 294 O LEU A 19 -7.739 4.317 -1.334 1.00 0.00 O ATOM 295 CB LEU A 19 -9.073 6.229 0.446 1.00 0.00 C ATOM 296 CG LEU A 19 -10.532 6.105 0.019 1.00 0.00 C ATOM 297 CD1 LEU A 19 -11.433 5.833 1.214 1.00 0.00 C ATOM 298 CD2 LEU A 19 -10.975 7.356 -0.718 1.00 0.00 C ATOM 0 H LEU A 19 -6.687 6.080 1.145 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.014 4.438 1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.010 6.949 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.502 6.640 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.617 5.256 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.467 5.750 0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.131 4.902 1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.348 6.652 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.018 7.252 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.869 8.221 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.356 7.494 -1.605 1.00 0.00 H new ATOM 310 N PHE A 20 -8.875 2.784 -0.128 1.00 0.00 N ATOM 311 CA PHE A 20 -8.882 1.773 -1.179 1.00 0.00 C ATOM 312 C PHE A 20 -10.315 1.365 -1.477 1.00 0.00 C ATOM 313 O PHE A 20 -10.917 0.612 -0.709 1.00 0.00 O ATOM 314 CB PHE A 20 -8.106 0.534 -0.749 1.00 0.00 C ATOM 315 CG PHE A 20 -7.775 -0.396 -1.873 1.00 0.00 C ATOM 316 CD1 PHE A 20 -7.097 0.041 -2.998 1.00 0.00 C ATOM 317 CD2 PHE A 20 -8.137 -1.724 -1.783 1.00 0.00 C ATOM 318 CE1 PHE A 20 -6.790 -0.845 -4.015 1.00 0.00 C ATOM 319 CE2 PHE A 20 -7.836 -2.612 -2.793 1.00 0.00 C ATOM 320 CZ PHE A 20 -7.159 -2.174 -3.911 1.00 0.00 C ATOM 0 H PHE A 20 -9.341 2.494 0.732 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.411 2.199 -2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.181 0.847 -0.265 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.689 -0.007 -0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.807 1.078 -3.082 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.664 -2.073 -0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.262 -0.499 -4.891 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.130 -3.648 -2.709 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.917 -2.867 -4.704 1.00 0.00 H new ATOM 330 N ASN A 21 -10.854 1.862 -2.579 1.00 0.00 N ATOM 331 CA ASN A 21 -12.227 1.560 -2.995 1.00 0.00 C ATOM 332 C ASN A 21 -13.257 1.910 -1.920 1.00 0.00 C ATOM 333 O ASN A 21 -14.362 1.368 -1.913 1.00 0.00 O ATOM 334 CB ASN A 21 -12.361 0.084 -3.390 1.00 0.00 C ATOM 335 CG ASN A 21 -11.718 -0.219 -4.726 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.516 -0.017 -4.913 1.00 0.00 O ATOM 337 ND2 ASN A 21 -12.513 -0.707 -5.666 1.00 0.00 N ATOM 0 H ASN A 21 -10.358 2.487 -3.214 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.436 2.187 -3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.903 -0.538 -2.621 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.417 -0.184 -3.429 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.136 -0.931 -6.587 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.502 -0.859 -5.469 1.00 0.00 H new ATOM 344 N GLY A 22 -12.909 2.828 -1.022 1.00 0.00 N ATOM 345 CA GLY A 22 -13.840 3.231 0.016 1.00 0.00 C ATOM 346 C GLY A 22 -13.463 2.748 1.401 1.00 0.00 C ATOM 347 O GLY A 22 -14.070 3.157 2.394 1.00 0.00 O ATOM 0 H GLY A 22 -12.004 3.297 -0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.907 4.319 0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.832 2.853 -0.232 1.00 0.00 H new ATOM 351 N LYS A 23 -12.463 1.887 1.484 1.00 0.00 N ATOM 352 CA LYS A 23 -12.020 1.369 2.773 1.00 0.00 C ATOM 353 C LYS A 23 -10.674 1.972 3.146 1.00 0.00 C ATOM 354 O LYS A 23 -9.772 2.064 2.319 1.00 0.00 O ATOM 355 CB LYS A 23 -11.941 -0.170 2.751 1.00 0.00 C ATOM 356 CG LYS A 23 -11.931 -0.825 4.137 1.00 0.00 C ATOM 357 CD LYS A 23 -10.560 -0.776 4.794 1.00 0.00 C ATOM 358 CE LYS A 23 -10.555 -1.468 6.151 1.00 0.00 C ATOM 359 NZ LYS A 23 -10.737 -2.944 6.039 1.00 0.00 N ATOM 0 H LYS A 23 -11.943 1.532 0.681 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.752 1.655 3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.789 -0.557 2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.039 -0.467 2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.656 -0.323 4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.250 -1.863 4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.828 -1.251 4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.252 0.263 4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.614 -1.259 6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.350 -1.053 6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.575 -3.385 6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.705 -3.151 5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.058 -3.326 5.351 1.00 0.00 H new ATOM 373 N GLU A 24 -10.551 2.373 4.402 1.00 0.00 N ATOM 374 CA GLU A 24 -9.316 2.961 4.905 1.00 0.00 C ATOM 375 C GLU A 24 -8.536 1.928 5.704 1.00 0.00 C ATOM 376 O GLU A 24 -8.984 1.481 6.760 1.00 0.00 O ATOM 377 CB GLU A 24 -9.613 4.187 5.772 1.00 0.00 C ATOM 378 CG GLU A 24 -10.364 5.280 5.045 1.00 0.00 C ATOM 379 CD GLU A 24 -10.603 6.486 5.916 1.00 0.00 C ATOM 380 OE1 GLU A 24 -9.617 7.125 6.330 1.00 0.00 O ATOM 381 OE2 GLU A 24 -11.777 6.788 6.197 1.00 0.00 O ATOM 0 H GLU A 24 -11.295 2.302 5.096 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.714 3.282 4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.194 3.875 6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.673 4.592 6.147 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.801 5.579 4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.321 4.891 4.697 1.00 0.00 H new ATOM 388 N TYR A 25 -7.383 1.531 5.189 1.00 0.00 N ATOM 389 CA TYR A 25 -6.560 0.528 5.853 1.00 0.00 C ATOM 390 C TYR A 25 -5.575 1.165 6.814 1.00 0.00 C ATOM 391 O TYR A 25 -4.829 2.073 6.449 1.00 0.00 O ATOM 392 CB TYR A 25 -5.806 -0.307 4.826 1.00 0.00 C ATOM 393 CG TYR A 25 -6.705 -1.130 3.940 1.00 0.00 C ATOM 394 CD1 TYR A 25 -7.292 -2.300 4.403 1.00 0.00 C ATOM 395 CD2 TYR A 25 -6.987 -0.719 2.649 1.00 0.00 C ATOM 396 CE1 TYR A 25 -8.137 -3.041 3.591 1.00 0.00 C ATOM 397 CE2 TYR A 25 -7.825 -1.451 1.832 1.00 0.00 C ATOM 398 CZ TYR A 25 -8.397 -2.610 2.309 1.00 0.00 C ATOM 399 OH TYR A 25 -9.233 -3.343 1.504 1.00 0.00 O ATOM 0 H TYR A 25 -6.995 1.886 4.315 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.228 -0.117 6.424 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.204 0.355 4.204 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.116 -0.971 5.346 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.088 -2.637 5.408 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.543 0.191 2.274 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.588 -3.950 3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.031 -1.117 0.826 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.787 -4.174 1.240 1.00 0.00 H new ATOM 409 N ASN A 26 -5.557 0.657 8.034 1.00 0.00 N ATOM 410 CA ASN A 26 -4.637 1.149 9.054 1.00 0.00 C ATOM 411 C ASN A 26 -3.391 0.283 9.042 1.00 0.00 C ATOM 412 O ASN A 26 -2.497 0.430 9.879 1.00 0.00 O ATOM 413 CB ASN A 26 -5.268 1.116 10.450 1.00 0.00 C ATOM 414 CG ASN A 26 -6.440 2.069 10.617 1.00 0.00 C ATOM 415 OD1 ASN A 26 -6.961 2.231 11.719 1.00 0.00 O ATOM 416 ND2 ASN A 26 -6.878 2.692 9.533 1.00 0.00 N ATOM 0 H ASN A 26 -6.169 -0.097 8.346 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.390 2.186 8.826 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.604 0.101 10.663 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.505 1.360 11.189 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.672 3.330 9.597 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.422 2.534 8.635 1.00 0.00 H new ATOM 423 N SER A 27 -3.356 -0.628 8.085 1.00 0.00 N ATOM 424 CA SER A 27 -2.252 -1.551 7.916 1.00 0.00 C ATOM 425 C SER A 27 -2.141 -1.945 6.448 1.00 0.00 C ATOM 426 O SER A 27 -2.915 -1.474 5.614 1.00 0.00 O ATOM 427 CB SER A 27 -2.480 -2.796 8.778 1.00 0.00 C ATOM 428 OG SER A 27 -3.780 -3.339 8.559 1.00 0.00 O ATOM 0 H SER A 27 -4.101 -0.747 7.398 1.00 0.00 H new ATOM 0 HA SER A 27 -1.325 -1.071 8.230 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.725 -3.547 8.546 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.362 -2.540 9.831 1.00 0.00 H new ATOM 0 HG SER A 27 -3.901 -4.134 9.119 1.00 0.00 H new ATOM 434 N CYS A 28 -1.209 -2.824 6.132 1.00 0.00 N ATOM 435 CA CYS A 28 -1.046 -3.286 4.761 1.00 0.00 C ATOM 436 C CYS A 28 -2.093 -4.353 4.465 1.00 0.00 C ATOM 437 O CYS A 28 -2.490 -5.093 5.363 1.00 0.00 O ATOM 438 CB CYS A 28 0.350 -3.858 4.558 1.00 0.00 C ATOM 439 SG CYS A 28 1.705 -2.682 4.893 1.00 0.00 S ATOM 0 H CYS A 28 -0.555 -3.232 6.800 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.177 -2.445 4.080 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.471 -4.726 5.206 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.438 -4.212 3.531 1.00 0.00 H new ATOM 444 N THR A 29 -2.546 -4.439 3.223 1.00 0.00 N ATOM 445 CA THR A 29 -3.550 -5.421 2.861 1.00 0.00 C ATOM 446 C THR A 29 -3.126 -6.192 1.619 1.00 0.00 C ATOM 447 O THR A 29 -2.174 -5.809 0.940 1.00 0.00 O ATOM 448 CB THR A 29 -4.906 -4.723 2.654 1.00 0.00 C ATOM 449 OG1 THR A 29 -5.937 -5.661 2.404 1.00 0.00 O ATOM 450 CG2 THR A 29 -4.923 -3.723 1.510 1.00 0.00 C ATOM 0 H THR A 29 -2.235 -3.844 2.455 1.00 0.00 H new ATOM 0 HA THR A 29 -3.654 -6.143 3.671 1.00 0.00 H new ATOM 0 HB THR A 29 -5.073 -4.185 3.587 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.746 -5.395 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.914 -3.276 1.432 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.187 -2.942 1.699 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.680 -4.233 0.578 1.00 0.00 H new ATOM 458 N ASP A 30 -3.830 -7.282 1.332 1.00 0.00 N ATOM 459 CA ASP A 30 -3.524 -8.104 0.168 1.00 0.00 C ATOM 460 C ASP A 30 -4.586 -7.900 -0.894 1.00 0.00 C ATOM 461 O ASP A 30 -4.525 -8.475 -1.981 1.00 0.00 O ATOM 462 CB ASP A 30 -3.448 -9.578 0.535 1.00 0.00 C ATOM 463 CG ASP A 30 -3.556 -9.857 2.017 1.00 0.00 C ATOM 464 OD1 ASP A 30 -4.639 -9.609 2.589 1.00 0.00 O ATOM 465 OD2 ASP A 30 -2.570 -10.320 2.613 1.00 0.00 O ATOM 0 H ASP A 30 -4.616 -7.616 1.890 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.551 -7.798 -0.216 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.246 -10.111 0.018 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.505 -9.983 0.169 1.00 0.00 H new ATOM 470 N THR A 31 -5.569 -7.083 -0.540 1.00 0.00 N ATOM 471 CA THR A 31 -6.694 -6.765 -1.409 1.00 0.00 C ATOM 472 C THR A 31 -6.205 -6.175 -2.726 1.00 0.00 C ATOM 473 O THR A 31 -5.224 -5.438 -2.757 1.00 0.00 O ATOM 474 CB THR A 31 -7.608 -5.779 -0.689 1.00 0.00 C ATOM 475 OG1 THR A 31 -7.888 -6.234 0.625 1.00 0.00 O ATOM 476 CG2 THR A 31 -8.931 -5.552 -1.382 1.00 0.00 C ATOM 0 H THR A 31 -5.608 -6.618 0.367 1.00 0.00 H new ATOM 0 HA THR A 31 -7.246 -7.677 -1.637 1.00 0.00 H new ATOM 0 HB THR A 31 -7.061 -4.836 -0.684 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.145 -5.998 1.218 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.524 -4.839 -0.809 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.755 -5.156 -2.382 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.470 -6.496 -1.455 1.00 0.00 H new ATOM 484 N GLY A 32 -6.878 -6.518 -3.814 1.00 0.00 N ATOM 485 CA GLY A 32 -6.473 -6.030 -5.113 1.00 0.00 C ATOM 486 C GLY A 32 -5.443 -6.946 -5.743 1.00 0.00 C ATOM 487 O GLY A 32 -5.499 -7.237 -6.938 1.00 0.00 O ATOM 0 H GLY A 32 -7.697 -7.126 -3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.344 -5.954 -5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.060 -5.026 -5.015 1.00 0.00 H new ATOM 491 N ARG A 33 -4.519 -7.427 -4.917 1.00 0.00 N ATOM 492 CA ARG A 33 -3.484 -8.343 -5.364 1.00 0.00 C ATOM 493 C ARG A 33 -4.054 -9.750 -5.436 1.00 0.00 C ATOM 494 O ARG A 33 -4.811 -10.160 -4.555 1.00 0.00 O ATOM 495 CB ARG A 33 -2.300 -8.335 -4.391 1.00 0.00 C ATOM 496 CG ARG A 33 -1.611 -6.987 -4.249 1.00 0.00 C ATOM 497 CD ARG A 33 -0.924 -6.545 -5.534 1.00 0.00 C ATOM 498 NE ARG A 33 0.086 -7.504 -5.994 1.00 0.00 N ATOM 499 CZ ARG A 33 0.956 -7.241 -6.970 1.00 0.00 C ATOM 500 NH1 ARG A 33 1.019 -6.021 -7.480 1.00 0.00 N ATOM 501 NH2 ARG A 33 1.800 -8.179 -7.389 1.00 0.00 N ATOM 0 H ARG A 33 -4.469 -7.193 -3.926 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.138 -8.024 -6.347 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.650 -8.655 -3.410 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.567 -9.070 -4.724 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.345 -6.236 -3.957 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.875 -7.042 -3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.673 -6.410 -6.314 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.452 -5.575 -5.374 1.00 0.00 H new ATOM 0 HE ARG A 33 0.125 -8.419 -5.544 1.00 0.00 H new ATOM 0 HH11 ARG A 33 0.404 -5.288 -7.126 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.682 -5.814 -8.227 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.784 -9.106 -6.964 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.463 -7.972 -8.136 1.00 0.00 H new ATOM 515 N SER A 34 -3.687 -10.489 -6.465 1.00 0.00 N ATOM 516 CA SER A 34 -4.170 -11.852 -6.618 1.00 0.00 C ATOM 517 C SER A 34 -3.255 -12.828 -5.883 1.00 0.00 C ATOM 518 O SER A 34 -3.659 -13.944 -5.548 1.00 0.00 O ATOM 519 CB SER A 34 -4.262 -12.214 -8.102 1.00 0.00 C ATOM 520 OG SER A 34 -5.012 -11.239 -8.816 1.00 0.00 O ATOM 0 H SER A 34 -3.060 -10.173 -7.205 1.00 0.00 H new ATOM 0 HA SER A 34 -5.166 -11.922 -6.180 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.260 -12.290 -8.525 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.730 -13.192 -8.214 1.00 0.00 H new ATOM 0 HG SER A 34 -5.057 -11.489 -9.762 1.00 0.00 H new ATOM 526 N ASP A 35 -2.016 -12.408 -5.639 1.00 0.00 N ATOM 527 CA ASP A 35 -1.043 -13.249 -4.956 1.00 0.00 C ATOM 528 C ASP A 35 -1.171 -13.165 -3.446 1.00 0.00 C ATOM 529 O ASP A 35 -0.414 -13.808 -2.717 1.00 0.00 O ATOM 530 CB ASP A 35 0.382 -12.861 -5.338 1.00 0.00 C ATOM 531 CG ASP A 35 0.483 -11.935 -6.531 1.00 0.00 C ATOM 532 OD1 ASP A 35 0.038 -10.772 -6.424 1.00 0.00 O ATOM 533 OD2 ASP A 35 1.023 -12.364 -7.568 1.00 0.00 O ATOM 0 H ASP A 35 -1.664 -11.488 -5.906 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.252 -14.271 -5.273 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.856 -12.382 -4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.948 -13.768 -5.550 1.00 0.00 H new ATOM 538 N GLY A 36 -2.105 -12.356 -2.981 1.00 0.00 N ATOM 539 CA GLY A 36 -2.286 -12.183 -1.555 1.00 0.00 C ATOM 540 C GLY A 36 -1.066 -11.549 -0.912 1.00 0.00 C ATOM 541 O GLY A 36 -0.745 -11.826 0.242 1.00 0.00 O ATOM 0 H GLY A 36 -2.743 -11.814 -3.564 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.161 -11.559 -1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.481 -13.150 -1.092 1.00 0.00 H new ATOM 545 N PHE A 37 -0.376 -10.700 -1.668 1.00 0.00 N ATOM 546 CA PHE A 37 0.817 -10.037 -1.165 1.00 0.00 C ATOM 547 C PHE A 37 0.432 -8.784 -0.392 1.00 0.00 C ATOM 548 O PHE A 37 -0.511 -8.083 -0.756 1.00 0.00 O ATOM 549 CB PHE A 37 1.765 -9.684 -2.313 1.00 0.00 C ATOM 550 CG PHE A 37 3.212 -9.675 -1.908 1.00 0.00 C ATOM 551 CD1 PHE A 37 3.790 -10.802 -1.349 1.00 0.00 C ATOM 552 CD2 PHE A 37 3.994 -8.547 -2.083 1.00 0.00 C ATOM 553 CE1 PHE A 37 5.120 -10.808 -0.972 1.00 0.00 C ATOM 554 CE2 PHE A 37 5.324 -8.544 -1.710 1.00 0.00 C ATOM 555 CZ PHE A 37 5.889 -9.676 -1.153 1.00 0.00 C ATOM 0 H PHE A 37 -0.623 -10.457 -2.627 1.00 0.00 H new ATOM 0 HA PHE A 37 1.335 -10.721 -0.493 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.626 -10.400 -3.123 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.499 -8.703 -2.706 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.193 -11.690 -1.205 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.559 -7.658 -2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.556 -11.695 -0.537 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.923 -7.657 -1.854 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.929 -9.675 -0.860 1.00 0.00 H new ATOM 565 N LEU A 38 1.153 -8.529 0.687 1.00 0.00 N ATOM 566 CA LEU A 38 0.894 -7.387 1.548 1.00 0.00 C ATOM 567 C LEU A 38 1.470 -6.099 0.950 1.00 0.00 C ATOM 568 O LEU A 38 2.681 -5.982 0.760 1.00 0.00 O ATOM 569 CB LEU A 38 1.517 -7.656 2.920 1.00 0.00 C ATOM 570 CG LEU A 38 0.849 -6.964 4.101 1.00 0.00 C ATOM 571 CD1 LEU A 38 -0.524 -7.563 4.364 1.00 0.00 C ATOM 572 CD2 LEU A 38 1.727 -7.060 5.339 1.00 0.00 C ATOM 0 H LEU A 38 1.935 -9.109 0.991 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.183 -7.251 1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.504 -8.731 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.563 -7.351 2.889 1.00 0.00 H new ATOM 0 HG LEU A 38 0.718 -5.910 3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.986 -7.056 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.151 -7.438 3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.421 -8.625 4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.235 -6.561 6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.890 -8.108 5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.686 -6.580 5.143 1.00 0.00 H new ATOM 584 N TRP A 39 0.605 -5.130 0.664 1.00 0.00 N ATOM 585 CA TRP A 39 1.046 -3.856 0.097 1.00 0.00 C ATOM 586 C TRP A 39 0.393 -2.683 0.818 1.00 0.00 C ATOM 587 O TRP A 39 -0.491 -2.869 1.655 1.00 0.00 O ATOM 588 CB TRP A 39 0.720 -3.781 -1.404 1.00 0.00 C ATOM 589 CG TRP A 39 -0.750 -3.762 -1.717 1.00 0.00 C ATOM 590 CD1 TRP A 39 -1.580 -4.839 -1.803 1.00 0.00 C ATOM 591 CD2 TRP A 39 -1.569 -2.609 -1.979 1.00 0.00 C ATOM 592 NE1 TRP A 39 -2.849 -4.434 -2.110 1.00 0.00 N ATOM 593 CE2 TRP A 39 -2.870 -3.073 -2.223 1.00 0.00 C ATOM 594 CE3 TRP A 39 -1.328 -1.237 -2.036 1.00 0.00 C ATOM 595 CZ2 TRP A 39 -3.924 -2.215 -2.518 1.00 0.00 C ATOM 596 CZ3 TRP A 39 -2.377 -0.385 -2.327 1.00 0.00 C ATOM 597 CH2 TRP A 39 -3.659 -0.880 -2.565 1.00 0.00 C ATOM 0 H TRP A 39 -0.401 -5.200 0.814 1.00 0.00 H new ATOM 0 HA TRP A 39 2.126 -3.796 0.229 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.180 -2.884 -1.819 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.176 -4.635 -1.906 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -1.279 -5.865 -1.651 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.652 -5.050 -2.235 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.338 -0.846 -1.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.918 -2.594 -2.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.201 0.680 -2.371 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.458 -0.190 -2.791 1.00 0.00 H new ATOM 608 N CYS A 40 0.824 -1.475 0.481 1.00 0.00 N ATOM 609 CA CYS A 40 0.271 -0.270 1.084 1.00 0.00 C ATOM 610 C CYS A 40 0.323 0.885 0.091 1.00 0.00 C ATOM 611 O CYS A 40 1.144 0.879 -0.830 1.00 0.00 O ATOM 612 CB CYS A 40 1.049 0.098 2.349 1.00 0.00 C ATOM 613 SG CYS A 40 2.780 0.596 2.042 1.00 0.00 S ATOM 0 H CYS A 40 1.556 -1.303 -0.208 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.768 -0.463 1.353 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.532 0.913 2.856 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.043 -0.755 3.028 1.00 0.00 H new ATOM 618 N SER A 41 -0.545 1.873 0.273 1.00 0.00 N ATOM 619 CA SER A 41 -0.568 3.025 -0.614 1.00 0.00 C ATOM 620 C SER A 41 0.366 4.107 -0.086 1.00 0.00 C ATOM 621 O SER A 41 0.793 4.066 1.070 1.00 0.00 O ATOM 622 CB SER A 41 -1.993 3.570 -0.757 1.00 0.00 C ATOM 623 OG SER A 41 -2.052 4.653 -1.671 1.00 0.00 O ATOM 0 H SER A 41 -1.237 1.898 1.022 1.00 0.00 H new ATOM 0 HA SER A 41 -0.224 2.713 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.655 2.773 -1.094 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.357 3.896 0.217 1.00 0.00 H new ATOM 0 HG SER A 41 -2.246 5.481 -1.185 1.00 0.00 H new ATOM 629 N THR A 42 0.678 5.064 -0.938 1.00 0.00 N ATOM 630 CA THR A 42 1.562 6.159 -0.577 1.00 0.00 C ATOM 631 C THR A 42 0.752 7.411 -0.276 1.00 0.00 C ATOM 632 O THR A 42 1.080 8.189 0.624 1.00 0.00 O ATOM 633 CB THR A 42 2.522 6.426 -1.732 1.00 0.00 C ATOM 634 OG1 THR A 42 3.037 5.207 -2.236 1.00 0.00 O ATOM 635 CG2 THR A 42 3.699 7.297 -1.357 1.00 0.00 C ATOM 0 H THR A 42 0.329 5.106 -1.895 1.00 0.00 H new ATOM 0 HA THR A 42 2.127 5.889 0.315 1.00 0.00 H new ATOM 0 HB THR A 42 1.931 6.955 -2.480 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.519 4.736 -1.524 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.337 7.442 -2.229 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.339 8.264 -1.006 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.272 6.814 -0.565 1.00 0.00 H new ATOM 643 N THR A 43 -0.306 7.602 -1.042 1.00 0.00 N ATOM 644 CA THR A 43 -1.165 8.759 -0.878 1.00 0.00 C ATOM 645 C THR A 43 -2.451 8.372 -0.156 1.00 0.00 C ATOM 646 O THR A 43 -2.680 7.191 0.132 1.00 0.00 O ATOM 647 CB THR A 43 -1.465 9.355 -2.252 1.00 0.00 C ATOM 648 OG1 THR A 43 -2.164 8.424 -3.057 1.00 0.00 O ATOM 649 CG2 THR A 43 -0.218 9.754 -3.017 1.00 0.00 C ATOM 0 H THR A 43 -0.592 6.967 -1.787 1.00 0.00 H new ATOM 0 HA THR A 43 -0.659 9.507 -0.268 1.00 0.00 H new ATOM 0 HB THR A 43 -2.061 10.246 -2.055 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.113 8.666 -3.088 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.502 10.170 -3.984 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.334 10.502 -2.448 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.411 8.877 -3.170 1.00 0.00 H new ATOM 657 N TYR A 44 -3.294 9.360 0.134 1.00 0.00 N ATOM 658 CA TYR A 44 -4.544 9.118 0.816 1.00 0.00 C ATOM 659 C TYR A 44 -5.523 8.360 -0.075 1.00 0.00 C ATOM 660 O TYR A 44 -6.373 7.627 0.418 1.00 0.00 O ATOM 661 CB TYR A 44 -5.140 10.445 1.289 1.00 0.00 C ATOM 662 CG TYR A 44 -5.006 11.592 0.301 1.00 0.00 C ATOM 663 CD1 TYR A 44 -5.720 11.603 -0.895 1.00 0.00 C ATOM 664 CD2 TYR A 44 -4.163 12.666 0.565 1.00 0.00 C ATOM 665 CE1 TYR A 44 -5.596 12.645 -1.790 1.00 0.00 C ATOM 666 CE2 TYR A 44 -4.037 13.712 -0.330 1.00 0.00 C ATOM 667 CZ TYR A 44 -4.756 13.694 -1.503 1.00 0.00 C ATOM 668 OH TYR A 44 -4.634 14.728 -2.396 1.00 0.00 O ATOM 0 H TYR A 44 -3.124 10.339 -0.098 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.351 8.491 1.686 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.197 10.295 1.508 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.658 10.731 2.224 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.382 10.781 -1.125 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.597 12.683 1.485 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.157 12.637 -2.713 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.378 14.539 -0.110 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.003 15.391 -2.045 1.00 0.00 H new ATOM 678 N ASN A 45 -5.388 8.521 -1.388 1.00 0.00 N ATOM 679 CA ASN A 45 -6.258 7.830 -2.334 1.00 0.00 C ATOM 680 C ASN A 45 -5.401 7.071 -3.339 1.00 0.00 C ATOM 681 O ASN A 45 -4.790 7.672 -4.221 1.00 0.00 O ATOM 682 CB ASN A 45 -7.162 8.833 -3.063 1.00 0.00 C ATOM 683 CG ASN A 45 -8.301 8.230 -3.835 1.00 0.00 C ATOM 684 OD1 ASN A 45 -9.238 8.940 -4.200 1.00 0.00 O ATOM 685 ND2 ASN A 45 -8.246 6.958 -4.143 1.00 0.00 N ATOM 0 H ASN A 45 -4.686 9.122 -1.820 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.893 7.129 -1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.570 9.528 -2.330 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.549 9.417 -3.749 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.990 6.535 -4.697 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.459 6.391 -3.829 1.00 0.00 H new ATOM 692 N PHE A 46 -5.346 5.755 -3.190 1.00 0.00 N ATOM 693 CA PHE A 46 -4.537 4.915 -4.072 1.00 0.00 C ATOM 694 C PHE A 46 -4.969 4.995 -5.535 1.00 0.00 C ATOM 695 O PHE A 46 -4.134 5.150 -6.416 1.00 0.00 O ATOM 696 CB PHE A 46 -4.591 3.458 -3.613 1.00 0.00 C ATOM 697 CG PHE A 46 -3.870 2.516 -4.547 1.00 0.00 C ATOM 698 CD1 PHE A 46 -2.504 2.645 -4.778 1.00 0.00 C ATOM 699 CD2 PHE A 46 -4.559 1.517 -5.214 1.00 0.00 C ATOM 700 CE1 PHE A 46 -1.854 1.796 -5.653 1.00 0.00 C ATOM 701 CE2 PHE A 46 -3.910 0.663 -6.086 1.00 0.00 C ATOM 702 CZ PHE A 46 -2.557 0.803 -6.307 1.00 0.00 C ATOM 0 H PHE A 46 -5.851 5.242 -2.467 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.518 5.297 -4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.152 3.380 -2.618 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.633 3.149 -3.527 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.946 3.417 -4.268 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.620 1.403 -5.050 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.794 1.909 -5.826 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.463 -0.113 -6.594 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.048 0.138 -6.989 1.00 0.00 H new ATOM 712 N GLU A 47 -6.263 4.848 -5.789 1.00 0.00 N ATOM 713 CA GLU A 47 -6.788 4.861 -7.156 1.00 0.00 C ATOM 714 C GLU A 47 -6.416 6.130 -7.926 1.00 0.00 C ATOM 715 O GLU A 47 -6.011 6.064 -9.089 1.00 0.00 O ATOM 716 CB GLU A 47 -8.309 4.722 -7.140 1.00 0.00 C ATOM 717 CG GLU A 47 -8.883 4.295 -8.478 1.00 0.00 C ATOM 718 CD GLU A 47 -10.389 4.377 -8.525 1.00 0.00 C ATOM 719 OE1 GLU A 47 -10.997 4.833 -7.540 1.00 0.00 O ATOM 720 OE2 GLU A 47 -10.970 3.986 -9.552 1.00 0.00 O ATOM 0 H GLU A 47 -6.972 4.718 -5.068 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.330 4.014 -7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.593 3.993 -6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.752 5.675 -6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.465 4.924 -9.264 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.573 3.272 -8.690 1.00 0.00 H new ATOM 727 N LYS A 48 -6.601 7.282 -7.292 1.00 0.00 N ATOM 728 CA LYS A 48 -6.332 8.568 -7.941 1.00 0.00 C ATOM 729 C LYS A 48 -4.850 8.767 -8.281 1.00 0.00 C ATOM 730 O LYS A 48 -4.518 9.161 -9.400 1.00 0.00 O ATOM 731 CB LYS A 48 -6.857 9.726 -7.056 1.00 0.00 C ATOM 732 CG LYS A 48 -6.343 11.130 -7.418 1.00 0.00 C ATOM 733 CD LYS A 48 -6.982 12.192 -6.545 1.00 0.00 C ATOM 734 CE LYS A 48 -6.538 13.584 -6.967 1.00 0.00 C ATOM 735 NZ LYS A 48 -7.276 14.647 -6.243 1.00 0.00 N ATOM 0 H LYS A 48 -6.935 7.356 -6.331 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.865 8.568 -8.892 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.946 9.733 -7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.589 9.517 -6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.260 11.164 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.558 11.340 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.067 12.117 -6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.713 12.021 -5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.469 13.695 -6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.690 13.703 -8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.942 15.579 -6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.294 14.558 -6.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.110 14.550 -5.221 1.00 0.00 H new ATOM 749 N ASP A 49 -3.961 8.520 -7.327 1.00 0.00 N ATOM 750 CA ASP A 49 -2.532 8.709 -7.563 1.00 0.00 C ATOM 751 C ASP A 49 -1.892 7.472 -8.186 1.00 0.00 C ATOM 752 O ASP A 49 -1.346 7.542 -9.289 1.00 0.00 O ATOM 753 CB ASP A 49 -1.835 9.114 -6.264 1.00 0.00 C ATOM 754 CG ASP A 49 -2.193 10.530 -5.869 1.00 0.00 C ATOM 755 OD1 ASP A 49 -1.868 11.458 -6.635 1.00 0.00 O ATOM 756 OD2 ASP A 49 -2.813 10.715 -4.807 1.00 0.00 O ATOM 0 H ASP A 49 -4.199 8.192 -6.391 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.409 9.517 -8.284 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.120 8.428 -5.466 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.755 9.030 -6.386 1.00 0.00 H new ATOM 761 N GLY A 50 -1.993 6.339 -7.508 1.00 0.00 N ATOM 762 CA GLY A 50 -1.452 5.102 -8.047 1.00 0.00 C ATOM 763 C GLY A 50 -0.107 4.707 -7.475 1.00 0.00 C ATOM 764 O GLY A 50 0.478 3.707 -7.902 1.00 0.00 O ATOM 0 H GLY A 50 -2.439 6.251 -6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.163 4.297 -7.861 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.359 5.201 -9.128 1.00 0.00 H new ATOM 768 N LYS A 51 0.394 5.477 -6.518 1.00 0.00 N ATOM 769 CA LYS A 51 1.679 5.178 -5.904 1.00 0.00 C ATOM 770 C LYS A 51 1.532 4.111 -4.831 1.00 0.00 C ATOM 771 O LYS A 51 0.837 4.310 -3.830 1.00 0.00 O ATOM 772 CB LYS A 51 2.300 6.437 -5.338 1.00 0.00 C ATOM 773 CG LYS A 51 2.785 7.351 -6.429 1.00 0.00 C ATOM 774 CD LYS A 51 3.124 8.706 -5.887 1.00 0.00 C ATOM 775 CE LYS A 51 4.465 8.715 -5.163 1.00 0.00 C ATOM 776 NZ LYS A 51 4.853 10.084 -4.728 1.00 0.00 N ATOM 0 H LYS A 51 -0.068 6.309 -6.152 1.00 0.00 H new ATOM 0 HA LYS A 51 2.345 4.786 -6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.568 6.960 -4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.133 6.172 -4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.663 6.917 -6.907 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.017 7.445 -7.197 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.149 9.427 -6.704 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.340 9.028 -5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.412 8.059 -4.294 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.235 8.311 -5.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.512 10.020 -3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.315 10.581 -5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.004 10.610 -4.437 1.00 0.00 H new ATOM 790 N TYR A 52 2.169 2.974 -5.053 1.00 0.00 N ATOM 791 CA TYR A 52 2.092 1.871 -4.113 1.00 0.00 C ATOM 792 C TYR A 52 3.455 1.246 -3.880 1.00 0.00 C ATOM 793 O TYR A 52 4.423 1.538 -4.580 1.00 0.00 O ATOM 794 CB TYR A 52 1.141 0.797 -4.653 1.00 0.00 C ATOM 795 CG TYR A 52 1.696 0.056 -5.858 1.00 0.00 C ATOM 796 CD1 TYR A 52 2.496 -1.071 -5.699 1.00 0.00 C ATOM 797 CD2 TYR A 52 1.450 0.505 -7.150 1.00 0.00 C ATOM 798 CE1 TYR A 52 3.031 -1.727 -6.787 1.00 0.00 C ATOM 799 CE2 TYR A 52 1.979 -0.151 -8.244 1.00 0.00 C ATOM 800 CZ TYR A 52 2.771 -1.265 -8.057 1.00 0.00 C ATOM 801 OH TYR A 52 3.307 -1.918 -9.140 1.00 0.00 O ATOM 0 H TYR A 52 2.744 2.791 -5.875 1.00 0.00 H new ATOM 0 HA TYR A 52 1.722 2.265 -3.166 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.926 0.080 -3.861 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.194 1.263 -4.926 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.702 -1.439 -4.705 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.836 1.380 -7.301 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.651 -2.599 -6.643 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.773 0.207 -9.242 1.00 0.00 H new ATOM 0 HH TYR A 52 3.028 -1.468 -9.964 1.00 0.00 H new ATOM 811 N GLY A 53 3.500 0.354 -2.912 1.00 0.00 N ATOM 812 CA GLY A 53 4.709 -0.358 -2.598 1.00 0.00 C ATOM 813 C GLY A 53 4.419 -1.547 -1.721 1.00 0.00 C ATOM 814 O GLY A 53 3.363 -1.616 -1.090 1.00 0.00 O ATOM 0 H GLY A 53 2.702 0.107 -2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.191 -0.689 -3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.408 0.309 -2.094 1.00 0.00 H new ATOM 818 N PHE A 54 5.332 -2.499 -1.690 1.00 0.00 N ATOM 819 CA PHE A 54 5.130 -3.690 -0.886 1.00 0.00 C ATOM 820 C PHE A 54 5.697 -3.498 0.506 1.00 0.00 C ATOM 821 O PHE A 54 6.683 -2.786 0.693 1.00 0.00 O ATOM 822 CB PHE A 54 5.733 -4.911 -1.571 1.00 0.00 C ATOM 823 CG PHE A 54 5.103 -5.198 -2.904 1.00 0.00 C ATOM 824 CD1 PHE A 54 3.731 -5.365 -3.010 1.00 0.00 C ATOM 825 CD2 PHE A 54 5.875 -5.294 -4.050 1.00 0.00 C ATOM 826 CE1 PHE A 54 3.142 -5.621 -4.233 1.00 0.00 C ATOM 827 CE2 PHE A 54 5.292 -5.552 -5.273 1.00 0.00 C ATOM 828 CZ PHE A 54 3.923 -5.715 -5.365 1.00 0.00 C ATOM 0 H PHE A 54 6.212 -2.473 -2.206 1.00 0.00 H new ATOM 0 HA PHE A 54 4.058 -3.863 -0.786 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.803 -4.755 -1.706 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.616 -5.780 -0.924 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.115 -5.294 -2.126 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.945 -5.165 -3.985 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.072 -5.747 -4.302 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.905 -5.627 -6.159 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.465 -5.916 -6.322 1.00 0.00 H new ATOM 838 N CYS A 55 5.045 -4.098 1.488 1.00 0.00 N ATOM 839 CA CYS A 55 5.471 -3.952 2.870 1.00 0.00 C ATOM 840 C CYS A 55 6.514 -5.003 3.278 1.00 0.00 C ATOM 841 O CYS A 55 7.600 -4.639 3.719 1.00 0.00 O ATOM 842 CB CYS A 55 4.253 -3.977 3.806 1.00 0.00 C ATOM 843 SG CYS A 55 2.913 -2.856 3.273 1.00 0.00 S ATOM 0 H CYS A 55 4.223 -4.688 1.355 1.00 0.00 H new ATOM 0 HA CYS A 55 5.963 -2.984 2.962 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.866 -4.995 3.861 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.570 -3.701 4.812 1.00 0.00 H new ATOM 848 N PRO A 56 6.225 -6.320 3.159 1.00 0.00 N ATOM 849 CA PRO A 56 7.164 -7.358 3.552 1.00 0.00 C ATOM 850 C PRO A 56 7.961 -7.946 2.385 1.00 0.00 C ATOM 851 O PRO A 56 7.655 -7.713 1.215 1.00 0.00 O ATOM 852 CB PRO A 56 6.226 -8.413 4.124 1.00 0.00 C ATOM 853 CG PRO A 56 4.977 -8.304 3.302 1.00 0.00 C ATOM 854 CD PRO A 56 4.973 -6.925 2.673 1.00 0.00 C ATOM 0 HA PRO A 56 7.930 -6.983 4.231 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.661 -9.410 4.051 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.022 -8.230 5.179 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.953 -9.077 2.534 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.093 -8.446 3.924 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.950 -6.981 1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.102 -6.346 2.981 1.00 0.00 H new ATOM 862 N HIS A 57 8.971 -8.734 2.733 1.00 0.00 N ATOM 863 CA HIS A 57 9.820 -9.409 1.761 1.00 0.00 C ATOM 864 C HIS A 57 10.027 -10.843 2.243 1.00 0.00 C ATOM 865 O HIS A 57 11.122 -11.397 2.163 1.00 0.00 O ATOM 866 CB HIS A 57 11.170 -8.688 1.641 1.00 0.00 C ATOM 867 CG HIS A 57 11.999 -9.102 0.454 1.00 0.00 C ATOM 868 ND1 HIS A 57 13.323 -8.740 0.303 1.00 0.00 N ATOM 869 CD2 HIS A 57 11.687 -9.847 -0.638 1.00 0.00 C ATOM 870 CE1 HIS A 57 13.788 -9.235 -0.830 1.00 0.00 C ATOM 871 NE2 HIS A 57 12.816 -9.910 -1.419 1.00 0.00 N ATOM 0 H HIS A 57 9.225 -8.923 3.703 1.00 0.00 H new ATOM 0 HA HIS A 57 9.350 -9.402 0.777 1.00 0.00 H new ATOM 0 HB2 HIS A 57 10.990 -7.614 1.585 1.00 0.00 H new ATOM 0 HB3 HIS A 57 11.745 -8.868 2.549 1.00 0.00 H new ATOM 0 HD2 HIS A 57 10.732 -10.304 -0.852 1.00 0.00 H new ATOM 0 HE1 HIS A 57 14.791 -9.110 -1.210 1.00 0.00 H new ATOM 0 HE2 HIS A 57 12.892 -10.399 -2.311 1.00 0.00 H new ATOM 879 N GLU A 58 8.964 -11.416 2.790 1.00 0.00 N ATOM 880 CA GLU A 58 9.006 -12.759 3.340 1.00 0.00 C ATOM 881 C GLU A 58 7.697 -13.505 3.087 1.00 0.00 C ATOM 882 O GLU A 58 7.271 -14.332 3.898 1.00 0.00 O ATOM 883 CB GLU A 58 9.290 -12.669 4.843 1.00 0.00 C ATOM 884 CG GLU A 58 8.504 -11.576 5.557 1.00 0.00 C ATOM 885 CD GLU A 58 9.094 -11.225 6.902 1.00 0.00 C ATOM 886 OE1 GLU A 58 10.296 -10.903 6.953 1.00 0.00 O ATOM 887 OE2 GLU A 58 8.360 -11.256 7.902 1.00 0.00 O ATOM 0 H GLU A 58 8.053 -10.963 2.864 1.00 0.00 H new ATOM 0 HA GLU A 58 9.799 -13.320 2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.059 -13.629 5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.355 -12.492 4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.478 -10.684 4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.473 -11.902 5.690 1.00 0.00 H new ATOM 894 N ALA A 59 7.062 -13.213 1.959 1.00 0.00 N ATOM 895 CA ALA A 59 5.808 -13.856 1.606 1.00 0.00 C ATOM 896 C ALA A 59 5.837 -14.338 0.165 1.00 0.00 C ATOM 897 O ALA A 59 5.144 -15.325 -0.142 1.00 0.00 O ATOM 898 CB ALA A 59 4.645 -12.905 1.826 1.00 0.00 C ATOM 0 H ALA A 59 7.397 -12.535 1.275 1.00 0.00 H new ATOM 0 HA ALA A 59 5.674 -14.723 2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.713 -13.402 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.609 -12.610 2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.777 -12.019 1.204 1.00 0.00 H new TER 904 ALA A 59