USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 657 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 GLN : amide:sc= -0.173 K(o=-1.6,f=-5.1!) USER MOD Set 1.2: A 40 CYS SG : rot 58:sc= -1.41 USER MOD Set 2.1: A 25 TYR OH : rot 150:sc= 0 USER MOD Set 2.2: A 42 CYS SG : rot 92:sc= -0.31 USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.0552 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0994 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot -100:sc= 0.959 USER MOD Single : A 13 ASN : amide:sc=-0.00245 X(o=-0.0025,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.159 K(o=-0.16,f=-1.4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= 0.0225 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= -0.0323 (180deg=-0.292) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -2.49! C(o=-2.5!,f=-8!) USER MOD Single : A 32 SER OG : rot -59:sc= 0.00278 USER MOD Single : A 36 GLN : amide:sc=-0.00424 K(o=-0.0042,f=-2.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -144:sc= -0.611 (180deg=-2.64!) USER MOD Single : A 46 GLN : amide:sc= -0.156 K(o=-0.16,f=-2.1!) USER MOD Single : A 47 THR OG1 : rot 93:sc= 0.0127 USER MOD Single : A 48 MET CE :methyl -145:sc= 0 (180deg=-0.861) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 53 SER OG : rot 180:sc= -0.153 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 57 LYS NZ :NH3+ 177:sc= -1.02 (180deg=-1.03) USER MOD Single : A 58 GLN : amide:sc= -0.0197 K(o=-0.02,f=-0.6) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.63 K(o=-1.6,f=-2.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 71 LYS NZ :NH3+ -158:sc= 0.066 (180deg=-0.745!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 50:sc= 0.689 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -52:sc= 0.433 USER MOD Single : A 87 SER OG : rot 75:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.472 -6.738 -11.977 1.00 0.00 N ATOM 2 CA GLY A 1 12.922 -6.136 -13.177 1.00 0.00 C ATOM 3 C GLY A 1 12.399 -4.734 -12.936 1.00 0.00 C ATOM 4 O GLY A 1 12.014 -4.392 -11.817 1.00 0.00 O ATOM 0 H1 GLY A 1 13.090 -7.699 -11.864 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.508 -6.784 -12.055 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.213 -6.163 -11.150 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.691 -6.106 -13.949 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.114 -6.762 -13.556 1.00 0.00 H new ATOM 8 N SER A 2 12.384 -3.920 -13.986 1.00 0.00 N ATOM 9 CA SER A 2 11.909 -2.545 -13.882 1.00 0.00 C ATOM 10 C SER A 2 10.430 -2.509 -13.511 1.00 0.00 C ATOM 11 O SER A 2 10.046 -1.917 -12.502 1.00 0.00 O ATOM 12 CB SER A 2 12.134 -1.804 -15.201 1.00 0.00 C ATOM 13 OG SER A 2 11.530 -2.492 -16.282 1.00 0.00 O ATOM 0 H SER A 2 12.695 -4.189 -14.919 1.00 0.00 H new ATOM 0 HA SER A 2 12.476 -2.049 -13.094 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.722 -0.797 -15.131 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.203 -1.699 -15.385 1.00 0.00 H new ATOM 0 HG SER A 2 11.687 -1.997 -17.113 1.00 0.00 H new ATOM 19 N SER A 3 9.604 -3.146 -14.334 1.00 0.00 N ATOM 20 CA SER A 3 8.166 -3.184 -14.096 1.00 0.00 C ATOM 21 C SER A 3 7.509 -4.296 -14.908 1.00 0.00 C ATOM 22 O SER A 3 7.911 -4.575 -16.037 1.00 0.00 O ATOM 23 CB SER A 3 7.533 -1.837 -14.450 1.00 0.00 C ATOM 24 OG SER A 3 6.362 -1.607 -13.686 1.00 0.00 O ATOM 0 H SER A 3 9.906 -3.643 -15.172 1.00 0.00 H new ATOM 0 HA SER A 3 8.004 -3.387 -13.037 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.251 -1.036 -14.271 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.288 -1.815 -15.512 1.00 0.00 H new ATOM 0 HG SER A 3 5.978 -0.739 -13.930 1.00 0.00 H new ATOM 30 N GLY A 4 6.496 -4.928 -14.324 1.00 0.00 N ATOM 31 CA GLY A 4 5.800 -6.003 -15.006 1.00 0.00 C ATOM 32 C GLY A 4 4.297 -5.801 -15.025 1.00 0.00 C ATOM 33 O GLY A 4 3.813 -4.737 -15.410 1.00 0.00 O ATOM 0 H GLY A 4 6.145 -4.715 -13.390 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.166 -6.077 -16.030 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.030 -6.949 -14.516 1.00 0.00 H new ATOM 37 N SER A 5 3.558 -6.824 -14.610 1.00 0.00 N ATOM 38 CA SER A 5 2.102 -6.756 -14.586 1.00 0.00 C ATOM 39 C SER A 5 1.622 -5.758 -13.537 1.00 0.00 C ATOM 40 O SER A 5 2.302 -5.513 -12.541 1.00 0.00 O ATOM 41 CB SER A 5 1.510 -8.138 -14.301 1.00 0.00 C ATOM 42 OG SER A 5 1.700 -9.011 -15.400 1.00 0.00 O ATOM 0 H SER A 5 3.944 -7.711 -14.285 1.00 0.00 H new ATOM 0 HA SER A 5 1.763 -6.419 -15.565 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.977 -8.561 -13.412 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.445 -8.044 -14.087 1.00 0.00 H new ATOM 0 HG SER A 5 1.314 -9.888 -15.192 1.00 0.00 H new ATOM 48 N SER A 6 0.446 -5.184 -13.769 1.00 0.00 N ATOM 49 CA SER A 6 -0.125 -4.210 -12.847 1.00 0.00 C ATOM 50 C SER A 6 -1.130 -4.872 -11.910 1.00 0.00 C ATOM 51 O SER A 6 -1.854 -5.785 -12.303 1.00 0.00 O ATOM 52 CB SER A 6 -0.802 -3.078 -13.622 1.00 0.00 C ATOM 53 OG SER A 6 -1.372 -2.126 -12.741 1.00 0.00 O ATOM 0 H SER A 6 -0.130 -5.377 -14.588 1.00 0.00 H new ATOM 0 HA SER A 6 0.686 -3.796 -12.248 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.073 -2.589 -14.268 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.577 -3.489 -14.269 1.00 0.00 H new ATOM 0 HG SER A 6 -1.797 -1.412 -13.261 1.00 0.00 H new ATOM 59 N GLY A 7 -1.168 -4.404 -10.666 1.00 0.00 N ATOM 60 CA GLY A 7 -2.087 -4.961 -9.691 1.00 0.00 C ATOM 61 C GLY A 7 -1.448 -5.141 -8.328 1.00 0.00 C ATOM 62 O GLY A 7 -1.550 -6.208 -7.723 1.00 0.00 O ATOM 0 H GLY A 7 -0.578 -3.649 -10.316 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.954 -4.307 -9.599 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.451 -5.924 -10.048 1.00 0.00 H new ATOM 66 N TYR A 8 -0.785 -4.096 -7.845 1.00 0.00 N ATOM 67 CA TYR A 8 -0.123 -4.145 -6.547 1.00 0.00 C ATOM 68 C TYR A 8 -1.037 -3.609 -5.449 1.00 0.00 C ATOM 69 O TYR A 8 -0.974 -4.053 -4.302 1.00 0.00 O ATOM 70 CB TYR A 8 1.176 -3.338 -6.583 1.00 0.00 C ATOM 71 CG TYR A 8 1.833 -3.309 -7.945 1.00 0.00 C ATOM 72 CD1 TYR A 8 1.365 -2.464 -8.944 1.00 0.00 C ATOM 73 CD2 TYR A 8 2.919 -4.125 -8.233 1.00 0.00 C ATOM 74 CE1 TYR A 8 1.961 -2.434 -10.190 1.00 0.00 C ATOM 75 CE2 TYR A 8 3.522 -4.101 -9.475 1.00 0.00 C ATOM 76 CZ TYR A 8 3.039 -3.253 -10.451 1.00 0.00 C ATOM 77 OH TYR A 8 3.636 -3.227 -11.690 1.00 0.00 O ATOM 0 H TYR A 8 -0.692 -3.205 -8.333 1.00 0.00 H new ATOM 0 HA TYR A 8 0.110 -5.187 -6.325 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.968 -2.316 -6.267 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.875 -3.758 -5.860 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.522 -1.820 -8.743 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.299 -4.790 -7.472 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.584 -1.772 -10.956 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.366 -4.742 -9.681 1.00 0.00 H new ATOM 0 HH TYR A 8 3.314 -3.983 -12.224 1.00 0.00 H new ATOM 87 N ILE A 9 -1.885 -2.652 -5.809 1.00 0.00 N ATOM 88 CA ILE A 9 -2.813 -2.056 -4.856 1.00 0.00 C ATOM 89 C ILE A 9 -3.298 -3.087 -3.842 1.00 0.00 C ATOM 90 O ILE A 9 -3.447 -2.787 -2.659 1.00 0.00 O ATOM 91 CB ILE A 9 -4.033 -1.440 -5.567 1.00 0.00 C ATOM 92 CG1 ILE A 9 -3.579 -0.552 -6.727 1.00 0.00 C ATOM 93 CG2 ILE A 9 -4.875 -0.645 -4.582 1.00 0.00 C ATOM 94 CD1 ILE A 9 -2.521 0.457 -6.338 1.00 0.00 C ATOM 0 H ILE A 9 -1.949 -2.273 -6.754 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.268 -1.267 -4.337 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.646 -2.246 -5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.191 -1.183 -7.527 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.443 -0.023 -7.129 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.733 -0.216 -5.100 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.223 -1.304 -3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.273 0.156 -4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.247 1.051 -7.210 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.912 1.113 -5.560 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.640 -0.065 -5.964 1.00 0.00 H new ATOM 106 N GLY A 10 -3.540 -4.306 -4.315 1.00 0.00 N ATOM 107 CA GLY A 10 -4.003 -5.364 -3.437 1.00 0.00 C ATOM 108 C GLY A 10 -2.866 -6.210 -2.898 1.00 0.00 C ATOM 109 O GLY A 10 -2.974 -6.795 -1.820 1.00 0.00 O ATOM 0 H GLY A 10 -3.424 -4.579 -5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.552 -4.926 -2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.701 -6.002 -3.979 1.00 0.00 H new ATOM 113 N LEU A 11 -1.773 -6.277 -3.651 1.00 0.00 N ATOM 114 CA LEU A 11 -0.611 -7.060 -3.244 1.00 0.00 C ATOM 115 C LEU A 11 -0.253 -6.786 -1.787 1.00 0.00 C ATOM 116 O LEU A 11 -0.113 -7.710 -0.987 1.00 0.00 O ATOM 117 CB LEU A 11 0.584 -6.740 -4.144 1.00 0.00 C ATOM 118 CG LEU A 11 0.616 -7.453 -5.496 1.00 0.00 C ATOM 119 CD1 LEU A 11 1.757 -6.925 -6.351 1.00 0.00 C ATOM 120 CD2 LEU A 11 0.742 -8.957 -5.304 1.00 0.00 C ATOM 0 H LEU A 11 -1.667 -5.799 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.861 -8.116 -3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.601 -5.665 -4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.497 -6.988 -3.603 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.322 -7.251 -6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.764 -7.444 -7.309 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.622 -5.856 -6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.704 -7.095 -5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.763 -9.448 -6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.663 -9.179 -4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.110 -9.323 -4.732 1.00 0.00 H new ATOM 132 N VAL A 12 -0.107 -5.508 -1.449 1.00 0.00 N ATOM 133 CA VAL A 12 0.231 -5.112 -0.087 1.00 0.00 C ATOM 134 C VAL A 12 -0.786 -5.652 0.911 1.00 0.00 C ATOM 135 O VAL A 12 -0.439 -6.407 1.819 1.00 0.00 O ATOM 136 CB VAL A 12 0.303 -3.579 0.049 1.00 0.00 C ATOM 137 CG1 VAL A 12 0.273 -3.171 1.514 1.00 0.00 C ATOM 138 CG2 VAL A 12 1.550 -3.042 -0.636 1.00 0.00 C ATOM 0 H VAL A 12 -0.218 -4.730 -2.099 1.00 0.00 H new ATOM 0 HA VAL A 12 1.211 -5.536 0.132 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.569 -3.147 -0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.325 -2.085 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.652 -3.523 1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.125 -3.612 2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.585 -1.958 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.435 -3.480 -0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.525 -3.303 -1.694 1.00 0.00 H new ATOM 148 N ASN A 13 -2.044 -5.261 0.737 1.00 0.00 N ATOM 149 CA ASN A 13 -3.113 -5.707 1.624 1.00 0.00 C ATOM 150 C ASN A 13 -2.869 -7.138 2.092 1.00 0.00 C ATOM 151 O ASN A 13 -2.827 -7.411 3.292 1.00 0.00 O ATOM 152 CB ASN A 13 -4.465 -5.614 0.914 1.00 0.00 C ATOM 153 CG ASN A 13 -5.119 -4.258 1.092 1.00 0.00 C ATOM 154 OD1 ASN A 13 -6.034 -4.099 1.900 1.00 0.00 O ATOM 155 ND2 ASN A 13 -4.653 -3.271 0.335 1.00 0.00 N ATOM 0 H ASN A 13 -2.349 -4.636 -0.010 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.123 -5.055 2.497 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.328 -5.812 -0.149 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.129 -6.388 1.299 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.055 -2.337 0.411 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.893 -3.447 -0.322 1.00 0.00 H new ATOM 162 N SER A 14 -2.710 -8.049 1.137 1.00 0.00 N ATOM 163 CA SER A 14 -2.474 -9.453 1.452 1.00 0.00 C ATOM 164 C SER A 14 -1.085 -9.649 2.052 1.00 0.00 C ATOM 165 O SER A 14 -0.927 -10.320 3.073 1.00 0.00 O ATOM 166 CB SER A 14 -2.624 -10.311 0.194 1.00 0.00 C ATOM 167 OG SER A 14 -3.920 -10.177 -0.363 1.00 0.00 O ATOM 0 H SER A 14 -2.740 -7.840 0.139 1.00 0.00 H new ATOM 0 HA SER A 14 -3.216 -9.765 2.187 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.876 -10.016 -0.542 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.436 -11.356 0.438 1.00 0.00 H new ATOM 0 HG SER A 14 -3.990 -10.734 -1.167 1.00 0.00 H new ATOM 173 N PHE A 15 -0.082 -9.059 1.412 1.00 0.00 N ATOM 174 CA PHE A 15 1.295 -9.169 1.881 1.00 0.00 C ATOM 175 C PHE A 15 1.364 -9.038 3.399 1.00 0.00 C ATOM 176 O PHE A 15 1.684 -9.996 4.102 1.00 0.00 O ATOM 177 CB PHE A 15 2.167 -8.097 1.224 1.00 0.00 C ATOM 178 CG PHE A 15 3.611 -8.490 1.103 1.00 0.00 C ATOM 179 CD1 PHE A 15 4.497 -8.251 2.141 1.00 0.00 C ATOM 180 CD2 PHE A 15 4.083 -9.100 -0.048 1.00 0.00 C ATOM 181 CE1 PHE A 15 5.827 -8.611 2.032 1.00 0.00 C ATOM 182 CE2 PHE A 15 5.412 -9.463 -0.163 1.00 0.00 C ATOM 183 CZ PHE A 15 6.285 -9.219 0.879 1.00 0.00 C ATOM 0 H PHE A 15 -0.196 -8.499 0.567 1.00 0.00 H new ATOM 0 HA PHE A 15 1.671 -10.153 1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.774 -7.879 0.231 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.097 -7.177 1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.144 -7.778 3.046 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.404 -9.294 -0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.508 -8.417 2.848 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.767 -9.937 -1.066 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.323 -9.503 0.793 1.00 0.00 H new ATOM 193 N ALA A 16 1.061 -7.844 3.898 1.00 0.00 N ATOM 194 CA ALA A 16 1.087 -7.586 5.333 1.00 0.00 C ATOM 195 C ALA A 16 0.545 -8.778 6.114 1.00 0.00 C ATOM 196 O ALA A 16 1.250 -9.366 6.934 1.00 0.00 O ATOM 197 CB ALA A 16 0.290 -6.332 5.658 1.00 0.00 C ATOM 0 H ALA A 16 0.795 -7.040 3.330 1.00 0.00 H new ATOM 0 HA ALA A 16 2.124 -7.431 5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.318 -6.151 6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.724 -5.480 5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.744 -6.465 5.339 1.00 0.00 H new ATOM 203 N GLN A 17 -0.711 -9.128 5.855 1.00 0.00 N ATOM 204 CA GLN A 17 -1.347 -10.249 6.536 1.00 0.00 C ATOM 205 C GLN A 17 -0.473 -11.496 6.465 1.00 0.00 C ATOM 206 O GLN A 17 -0.257 -12.175 7.469 1.00 0.00 O ATOM 207 CB GLN A 17 -2.718 -10.536 5.920 1.00 0.00 C ATOM 208 CG GLN A 17 -3.687 -11.208 6.879 1.00 0.00 C ATOM 209 CD GLN A 17 -4.713 -12.066 6.165 1.00 0.00 C ATOM 210 OE1 GLN A 17 -4.429 -12.654 5.121 1.00 0.00 O ATOM 211 NE2 GLN A 17 -5.914 -12.142 6.726 1.00 0.00 N ATOM 0 H GLN A 17 -1.308 -8.651 5.179 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.477 -9.978 7.584 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.154 -9.599 5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.588 -11.171 5.044 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.128 -11.826 7.581 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.201 -10.445 7.464 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.105 -11.638 7.592 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.645 -12.705 6.291 1.00 0.00 H new ATOM 220 N LYS A 18 0.028 -11.794 5.270 1.00 0.00 N ATOM 221 CA LYS A 18 0.879 -12.960 5.066 1.00 0.00 C ATOM 222 C LYS A 18 2.093 -12.916 5.990 1.00 0.00 C ATOM 223 O LYS A 18 2.529 -13.943 6.508 1.00 0.00 O ATOM 224 CB LYS A 18 1.338 -13.033 3.608 1.00 0.00 C ATOM 225 CG LYS A 18 0.214 -13.338 2.632 1.00 0.00 C ATOM 226 CD LYS A 18 0.677 -13.208 1.191 1.00 0.00 C ATOM 227 CE LYS A 18 -0.401 -13.656 0.216 1.00 0.00 C ATOM 228 NZ LYS A 18 0.178 -14.175 -1.053 1.00 0.00 N ATOM 0 H LYS A 18 -0.141 -11.243 4.428 1.00 0.00 H new ATOM 0 HA LYS A 18 0.296 -13.850 5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.800 -12.085 3.333 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.107 -13.800 3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.157 -14.348 2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.619 -12.658 2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.946 -12.172 0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.576 -13.806 1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.011 -14.431 0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.063 -12.818 -0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.590 -14.470 -1.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.739 -13.428 -1.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.790 -14.991 -0.847 1.00 0.00 H new ATOM 242 N LYS A 19 2.632 -11.719 6.193 1.00 0.00 N ATOM 243 CA LYS A 19 3.793 -11.539 7.056 1.00 0.00 C ATOM 244 C LYS A 19 3.367 -11.148 8.468 1.00 0.00 C ATOM 245 O LYS A 19 4.154 -10.591 9.234 1.00 0.00 O ATOM 246 CB LYS A 19 4.724 -10.470 6.479 1.00 0.00 C ATOM 247 CG LYS A 19 5.731 -11.014 5.481 1.00 0.00 C ATOM 248 CD LYS A 19 5.160 -11.045 4.073 1.00 0.00 C ATOM 249 CE LYS A 19 6.097 -11.753 3.106 1.00 0.00 C ATOM 250 NZ LYS A 19 5.355 -12.407 1.993 1.00 0.00 N ATOM 0 H LYS A 19 2.283 -10.858 5.771 1.00 0.00 H new ATOM 0 HA LYS A 19 4.327 -12.488 7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.123 -9.701 5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.260 -9.987 7.296 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.630 -10.397 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.030 -12.020 5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.195 -11.551 4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.983 -10.026 3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.807 -11.034 2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.677 -12.502 3.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.940 -13.163 1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.470 -12.814 2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.136 -11.702 1.260 1.00 0.00 H new ATOM 264 N LYS A 20 2.116 -11.444 8.806 1.00 0.00 N ATOM 265 CA LYS A 20 1.585 -11.126 10.126 1.00 0.00 C ATOM 266 C LYS A 20 1.939 -9.697 10.526 1.00 0.00 C ATOM 267 O LYS A 20 2.154 -9.406 11.703 1.00 0.00 O ATOM 268 CB LYS A 20 2.129 -12.107 11.167 1.00 0.00 C ATOM 269 CG LYS A 20 1.429 -13.455 11.157 1.00 0.00 C ATOM 270 CD LYS A 20 2.003 -14.390 12.208 1.00 0.00 C ATOM 271 CE LYS A 20 1.527 -15.820 12.002 1.00 0.00 C ATOM 272 NZ LYS A 20 2.094 -16.420 10.763 1.00 0.00 N ATOM 0 H LYS A 20 1.451 -11.904 8.184 1.00 0.00 H new ATOM 0 HA LYS A 20 0.499 -11.214 10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.194 -12.259 10.989 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.031 -11.664 12.158 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.363 -13.314 11.338 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.528 -13.910 10.171 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.092 -14.359 12.169 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.710 -14.047 13.200 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.813 -16.425 12.862 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.438 -15.836 11.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.007 -17.455 10.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.574 -16.064 9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.098 -16.160 10.679 1.00 0.00 H new ATOM 286 N LEU A 21 1.996 -8.809 9.539 1.00 0.00 N ATOM 287 CA LEU A 21 2.322 -7.409 9.788 1.00 0.00 C ATOM 288 C LEU A 21 1.056 -6.566 9.898 1.00 0.00 C ATOM 289 O LEU A 21 -0.047 -7.047 9.636 1.00 0.00 O ATOM 290 CB LEU A 21 3.214 -6.866 8.671 1.00 0.00 C ATOM 291 CG LEU A 21 4.697 -7.228 8.760 1.00 0.00 C ATOM 292 CD1 LEU A 21 5.325 -7.255 7.375 1.00 0.00 C ATOM 293 CD2 LEU A 21 5.432 -6.247 9.661 1.00 0.00 C ATOM 0 H LEU A 21 1.821 -9.034 8.560 1.00 0.00 H new ATOM 0 HA LEU A 21 2.859 -7.350 10.735 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.829 -7.228 7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.126 -5.780 8.659 1.00 0.00 H new ATOM 0 HG LEU A 21 4.782 -8.224 9.194 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.380 -7.514 7.459 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.817 -7.997 6.759 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.229 -6.273 6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.486 -6.520 9.713 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.337 -5.240 9.256 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.000 -6.278 10.661 1.00 0.00 H new ATOM 305 N SER A 22 1.222 -5.306 10.286 1.00 0.00 N ATOM 306 CA SER A 22 0.092 -4.396 10.432 1.00 0.00 C ATOM 307 C SER A 22 0.169 -3.265 9.411 1.00 0.00 C ATOM 308 O SER A 22 1.169 -2.552 9.331 1.00 0.00 O ATOM 309 CB SER A 22 0.055 -3.818 11.848 1.00 0.00 C ATOM 310 OG SER A 22 -0.718 -4.633 12.712 1.00 0.00 O ATOM 0 H SER A 22 2.128 -4.892 10.505 1.00 0.00 H new ATOM 0 HA SER A 22 -0.823 -4.961 10.254 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.070 -3.732 12.236 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.363 -2.811 11.822 1.00 0.00 H new ATOM 0 HG SER A 22 -0.724 -4.243 13.611 1.00 0.00 H new ATOM 316 N VAL A 23 -0.895 -3.108 8.630 1.00 0.00 N ATOM 317 CA VAL A 23 -0.950 -2.064 7.613 1.00 0.00 C ATOM 318 C VAL A 23 -1.966 -0.989 7.984 1.00 0.00 C ATOM 319 O VAL A 23 -3.134 -1.284 8.234 1.00 0.00 O ATOM 320 CB VAL A 23 -1.312 -2.643 6.233 1.00 0.00 C ATOM 321 CG1 VAL A 23 -2.813 -2.865 6.124 1.00 0.00 C ATOM 322 CG2 VAL A 23 -0.819 -1.726 5.124 1.00 0.00 C ATOM 0 H VAL A 23 -1.731 -3.690 8.682 1.00 0.00 H new ATOM 0 HA VAL A 23 0.044 -1.619 7.562 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.817 -3.608 6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.050 -3.274 5.142 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.134 -3.564 6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.332 -1.915 6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.084 -2.151 4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.284 -0.746 5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.264 -1.623 5.191 1.00 0.00 H new ATOM 332 N ASN A 24 -1.513 0.260 8.016 1.00 0.00 N ATOM 333 CA ASN A 24 -2.382 1.380 8.356 1.00 0.00 C ATOM 334 C ASN A 24 -2.343 2.449 7.268 1.00 0.00 C ATOM 335 O ASN A 24 -1.353 2.582 6.549 1.00 0.00 O ATOM 336 CB ASN A 24 -1.966 1.987 9.698 1.00 0.00 C ATOM 337 CG ASN A 24 -2.616 1.286 10.876 1.00 0.00 C ATOM 338 OD1 ASN A 24 -2.742 0.062 10.892 1.00 0.00 O ATOM 339 ND2 ASN A 24 -3.034 2.063 11.869 1.00 0.00 N ATOM 0 H ASN A 24 -0.549 0.522 7.811 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.402 1.004 8.435 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.882 1.931 9.798 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.234 3.043 9.714 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.480 1.649 12.687 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.909 3.074 11.813 1.00 0.00 H new ATOM 346 N TYR A 25 -3.427 3.208 7.154 1.00 0.00 N ATOM 347 CA TYR A 25 -3.518 4.264 6.153 1.00 0.00 C ATOM 348 C TYR A 25 -3.894 5.595 6.797 1.00 0.00 C ATOM 349 O TYR A 25 -5.059 5.836 7.114 1.00 0.00 O ATOM 350 CB TYR A 25 -4.546 3.894 5.082 1.00 0.00 C ATOM 351 CG TYR A 25 -4.101 2.766 4.180 1.00 0.00 C ATOM 352 CD1 TYR A 25 -4.323 1.440 4.531 1.00 0.00 C ATOM 353 CD2 TYR A 25 -3.457 3.025 2.976 1.00 0.00 C ATOM 354 CE1 TYR A 25 -3.918 0.406 3.710 1.00 0.00 C ATOM 355 CE2 TYR A 25 -3.049 1.998 2.148 1.00 0.00 C ATOM 356 CZ TYR A 25 -3.282 0.690 2.519 1.00 0.00 C ATOM 357 OH TYR A 25 -2.876 -0.337 1.698 1.00 0.00 O ATOM 0 H TYR A 25 -4.255 3.112 7.742 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.539 4.371 5.686 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.480 3.612 5.569 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.757 4.773 4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.821 1.214 5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.272 4.048 2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.098 -0.619 3.999 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.550 2.218 1.215 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.897 -0.038 0.765 1.00 0.00 H new ATOM 367 N GLU A 26 -2.899 6.456 6.987 1.00 0.00 N ATOM 368 CA GLU A 26 -3.126 7.762 7.594 1.00 0.00 C ATOM 369 C GLU A 26 -3.290 8.838 6.524 1.00 0.00 C ATOM 370 O GLU A 26 -2.451 8.976 5.635 1.00 0.00 O ATOM 371 CB GLU A 26 -1.966 8.125 8.524 1.00 0.00 C ATOM 372 CG GLU A 26 -2.161 7.653 9.954 1.00 0.00 C ATOM 373 CD GLU A 26 -0.849 7.374 10.661 1.00 0.00 C ATOM 374 OE1 GLU A 26 -0.197 8.343 11.103 1.00 0.00 O ATOM 375 OE2 GLU A 26 -0.475 6.188 10.772 1.00 0.00 O ATOM 0 H GLU A 26 -1.929 6.273 6.730 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.046 7.709 8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.047 7.692 8.130 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.835 9.207 8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.715 8.409 10.510 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.769 6.748 9.954 1.00 0.00 H new ATOM 382 N GLN A 27 -4.378 9.596 6.618 1.00 0.00 N ATOM 383 CA GLN A 27 -4.653 10.658 5.657 1.00 0.00 C ATOM 384 C GLN A 27 -4.699 12.017 6.347 1.00 0.00 C ATOM 385 O GLN A 27 -5.020 12.112 7.533 1.00 0.00 O ATOM 386 CB GLN A 27 -5.976 10.393 4.937 1.00 0.00 C ATOM 387 CG GLN A 27 -7.070 9.862 5.850 1.00 0.00 C ATOM 388 CD GLN A 27 -7.073 8.349 5.940 1.00 0.00 C ATOM 389 OE1 GLN A 27 -6.618 7.661 5.025 1.00 0.00 O ATOM 390 NE2 GLN A 27 -7.586 7.822 7.045 1.00 0.00 N ATOM 0 H GLN A 27 -5.082 9.495 7.349 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.846 10.670 4.925 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.319 11.318 4.473 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.806 9.677 4.133 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.940 10.281 6.848 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.039 10.202 5.485 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.952 8.430 7.778 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.614 6.809 7.161 1.00 0.00 H new ATOM 399 N CYS A 28 -4.377 13.066 5.599 1.00 0.00 N ATOM 400 CA CYS A 28 -4.381 14.421 6.139 1.00 0.00 C ATOM 401 C CYS A 28 -5.748 15.074 5.961 1.00 0.00 C ATOM 402 O CYS A 28 -6.516 14.695 5.077 1.00 0.00 O ATOM 403 CB CYS A 28 -3.306 15.268 5.456 1.00 0.00 C ATOM 404 SG CYS A 28 -2.617 16.571 6.504 1.00 0.00 S ATOM 0 H CYS A 28 -4.110 13.005 4.617 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.163 14.361 7.205 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.498 14.615 5.128 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.731 15.723 4.561 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.715 17.231 5.840 1.00 0.00 H new ATOM 410 N GLU A 29 -6.045 16.055 6.808 1.00 0.00 N ATOM 411 CA GLU A 29 -7.321 16.758 6.745 1.00 0.00 C ATOM 412 C GLU A 29 -7.160 18.118 6.072 1.00 0.00 C ATOM 413 O GLU A 29 -6.148 18.801 6.231 1.00 0.00 O ATOM 414 CB GLU A 29 -7.900 16.936 8.150 1.00 0.00 C ATOM 415 CG GLU A 29 -6.989 17.708 9.090 1.00 0.00 C ATOM 416 CD GLU A 29 -6.993 19.198 8.812 1.00 0.00 C ATOM 417 OE1 GLU A 29 -7.984 19.691 8.235 1.00 0.00 O ATOM 418 OE2 GLU A 29 -6.005 19.872 9.172 1.00 0.00 O ATOM 0 H GLU A 29 -5.420 16.381 7.545 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.009 16.157 6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.856 17.454 8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.102 15.954 8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.303 17.533 10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.972 17.328 8.998 1.00 0.00 H new ATOM 425 N PRO A 30 -8.182 18.522 5.303 1.00 0.00 N ATOM 426 CA PRO A 30 -8.178 19.803 4.591 1.00 0.00 C ATOM 427 C PRO A 30 -8.293 20.993 5.538 1.00 0.00 C ATOM 428 O PRO A 30 -9.375 21.297 6.038 1.00 0.00 O ATOM 429 CB PRO A 30 -9.414 19.713 3.693 1.00 0.00 C ATOM 430 CG PRO A 30 -10.317 18.753 4.386 1.00 0.00 C ATOM 431 CD PRO A 30 -9.419 17.759 5.069 1.00 0.00 C ATOM 0 HA PRO A 30 -7.248 19.963 4.045 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.888 20.687 3.574 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.153 19.361 2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.952 19.266 5.108 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.979 18.257 3.676 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.853 17.401 6.003 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.239 16.884 4.444 1.00 0.00 H new ATOM 439 N ASN A 31 -7.170 21.663 5.778 1.00 0.00 N ATOM 440 CA ASN A 31 -7.146 22.820 6.665 1.00 0.00 C ATOM 441 C ASN A 31 -7.069 24.117 5.866 1.00 0.00 C ATOM 442 O ASN A 31 -6.050 24.807 5.880 1.00 0.00 O ATOM 443 CB ASN A 31 -5.958 22.728 7.625 1.00 0.00 C ATOM 444 CG ASN A 31 -5.808 23.970 8.481 1.00 0.00 C ATOM 445 OD1 ASN A 31 -6.459 24.987 8.238 1.00 0.00 O ATOM 446 ND2 ASN A 31 -4.947 23.894 9.489 1.00 0.00 N ATOM 0 H ASN A 31 -6.266 21.425 5.371 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.071 22.824 7.241 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.083 21.858 8.270 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.043 22.572 7.053 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.804 24.699 10.099 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.429 23.031 9.653 1.00 0.00 H new ATOM 453 N SER A 32 -8.153 24.442 5.169 1.00 0.00 N ATOM 454 CA SER A 32 -8.208 25.654 4.361 1.00 0.00 C ATOM 455 C SER A 32 -7.077 25.676 3.337 1.00 0.00 C ATOM 456 O SER A 32 -6.421 26.698 3.143 1.00 0.00 O ATOM 457 CB SER A 32 -8.124 26.893 5.255 1.00 0.00 C ATOM 458 OG SER A 32 -8.653 28.032 4.599 1.00 0.00 O ATOM 0 H SER A 32 -9.005 23.882 5.148 1.00 0.00 H new ATOM 0 HA SER A 32 -9.159 25.662 3.828 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.672 26.715 6.180 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.085 27.077 5.530 1.00 0.00 H new ATOM 0 HG SER A 32 -8.150 28.198 3.774 1.00 0.00 H new ATOM 464 N GLU A 33 -6.857 24.538 2.684 1.00 0.00 N ATOM 465 CA GLU A 33 -5.805 24.426 1.681 1.00 0.00 C ATOM 466 C GLU A 33 -6.372 23.935 0.352 1.00 0.00 C ATOM 467 O GLU A 33 -7.043 22.904 0.293 1.00 0.00 O ATOM 468 CB GLU A 33 -4.708 23.474 2.163 1.00 0.00 C ATOM 469 CG GLU A 33 -5.232 22.311 2.988 1.00 0.00 C ATOM 470 CD GLU A 33 -4.206 21.207 3.157 1.00 0.00 C ATOM 471 OE1 GLU A 33 -3.756 20.652 2.133 1.00 0.00 O ATOM 472 OE2 GLU A 33 -3.853 20.898 4.315 1.00 0.00 O ATOM 0 H GLU A 33 -7.393 23.683 2.832 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.375 25.416 1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.172 23.083 1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.987 24.035 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.535 22.674 3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.123 21.904 2.510 1.00 0.00 H new ATOM 479 N LEU A 34 -6.097 24.680 -0.713 1.00 0.00 N ATOM 480 CA LEU A 34 -6.579 24.322 -2.043 1.00 0.00 C ATOM 481 C LEU A 34 -5.418 24.171 -3.021 1.00 0.00 C ATOM 482 O LEU A 34 -4.329 24.707 -2.816 1.00 0.00 O ATOM 483 CB LEU A 34 -7.558 25.381 -2.554 1.00 0.00 C ATOM 484 CG LEU A 34 -9.011 25.224 -2.105 1.00 0.00 C ATOM 485 CD1 LEU A 34 -9.693 24.110 -2.883 1.00 0.00 C ATOM 486 CD2 LEU A 34 -9.080 24.953 -0.609 1.00 0.00 C ATOM 0 H LEU A 34 -5.543 25.536 -0.682 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.095 23.364 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.203 26.360 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.533 25.375 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.538 26.156 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.726 24.013 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.676 24.346 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.167 23.171 -2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.122 24.844 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.538 24.036 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.630 25.785 -0.067 1.00 0.00 H new ATOM 498 N PRO A 35 -5.656 23.427 -4.111 1.00 0.00 N ATOM 499 CA PRO A 35 -6.949 22.785 -4.365 1.00 0.00 C ATOM 500 C PRO A 35 -7.224 21.636 -3.401 1.00 0.00 C ATOM 501 O PRO A 35 -6.363 21.262 -2.605 1.00 0.00 O ATOM 502 CB PRO A 35 -6.809 22.260 -5.796 1.00 0.00 C ATOM 503 CG PRO A 35 -5.343 22.077 -5.991 1.00 0.00 C ATOM 504 CD PRO A 35 -4.680 23.155 -5.180 1.00 0.00 C ATOM 0 HA PRO A 35 -7.781 23.476 -4.229 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -7.346 21.321 -5.927 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.219 22.966 -6.518 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.026 21.088 -5.660 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.076 22.161 -7.044 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.724 22.823 -4.776 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.482 24.044 -5.779 1.00 0.00 H new ATOM 512 N GLN A 36 -8.429 21.081 -3.478 1.00 0.00 N ATOM 513 CA GLN A 36 -8.817 19.975 -2.611 1.00 0.00 C ATOM 514 C GLN A 36 -8.206 18.664 -3.095 1.00 0.00 C ATOM 515 O GLN A 36 -8.650 18.090 -4.089 1.00 0.00 O ATOM 516 CB GLN A 36 -10.341 19.851 -2.558 1.00 0.00 C ATOM 517 CG GLN A 36 -10.828 18.681 -1.718 1.00 0.00 C ATOM 518 CD GLN A 36 -10.889 19.009 -0.239 1.00 0.00 C ATOM 519 OE1 GLN A 36 -10.162 19.876 0.247 1.00 0.00 O ATOM 520 NE2 GLN A 36 -11.760 18.316 0.485 1.00 0.00 N ATOM 0 H GLN A 36 -9.153 21.379 -4.132 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.441 20.183 -1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.758 20.774 -2.156 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -10.724 19.743 -3.573 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -11.818 18.380 -2.061 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.165 17.829 -1.870 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.343 17.607 0.040 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.846 18.493 1.486 1.00 0.00 H new ATOM 529 N ARG A 37 -7.184 18.196 -2.385 1.00 0.00 N ATOM 530 CA ARG A 37 -6.510 16.954 -2.743 1.00 0.00 C ATOM 531 C ARG A 37 -6.552 15.960 -1.586 1.00 0.00 C ATOM 532 O ARG A 37 -6.472 16.345 -0.420 1.00 0.00 O ATOM 533 CB ARG A 37 -5.059 17.232 -3.139 1.00 0.00 C ATOM 534 CG ARG A 37 -4.183 17.666 -1.976 1.00 0.00 C ATOM 535 CD ARG A 37 -2.754 17.172 -2.140 1.00 0.00 C ATOM 536 NE ARG A 37 -1.786 18.089 -1.543 1.00 0.00 N ATOM 537 CZ ARG A 37 -1.640 18.253 -0.233 1.00 0.00 C ATOM 538 NH1 ARG A 37 -2.394 17.565 0.612 1.00 0.00 N ATOM 539 NH2 ARG A 37 -0.737 19.106 0.233 1.00 0.00 N ATOM 0 H ARG A 37 -6.805 18.658 -1.559 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.034 16.517 -3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.635 16.333 -3.587 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.042 18.008 -3.905 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.187 18.753 -1.902 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.597 17.282 -1.044 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.655 16.189 -1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.532 17.050 -3.200 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.190 18.633 -2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.088 16.908 0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.280 17.693 1.618 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.154 19.636 -0.415 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.625 19.231 1.239 1.00 0.00 H new ATOM 553 N PHE A 38 -6.678 14.679 -1.918 1.00 0.00 N ATOM 554 CA PHE A 38 -6.731 13.630 -0.907 1.00 0.00 C ATOM 555 C PHE A 38 -5.427 12.840 -0.873 1.00 0.00 C ATOM 556 O PHE A 38 -5.035 12.224 -1.865 1.00 0.00 O ATOM 557 CB PHE A 38 -7.905 12.687 -1.182 1.00 0.00 C ATOM 558 CG PHE A 38 -9.216 13.191 -0.651 1.00 0.00 C ATOM 559 CD1 PHE A 38 -9.984 14.076 -1.392 1.00 0.00 C ATOM 560 CD2 PHE A 38 -9.681 12.781 0.588 1.00 0.00 C ATOM 561 CE1 PHE A 38 -11.192 14.541 -0.907 1.00 0.00 C ATOM 562 CE2 PHE A 38 -10.888 13.243 1.077 1.00 0.00 C ATOM 563 CZ PHE A 38 -11.644 14.125 0.330 1.00 0.00 C ATOM 0 H PHE A 38 -6.745 14.343 -2.879 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.873 14.103 0.065 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.993 12.533 -2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.692 11.715 -0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.634 14.406 -2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.094 12.093 1.178 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.782 15.229 -1.495 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.240 12.914 2.044 1.00 0.00 H new ATOM 0 HZ PHE A 38 -12.586 14.489 0.712 1.00 0.00 H new ATOM 573 N ILE A 39 -4.758 12.863 0.275 1.00 0.00 N ATOM 574 CA ILE A 39 -3.497 12.149 0.439 1.00 0.00 C ATOM 575 C ILE A 39 -3.644 10.993 1.423 1.00 0.00 C ATOM 576 O ILE A 39 -4.241 11.145 2.489 1.00 0.00 O ATOM 577 CB ILE A 39 -2.379 13.087 0.929 1.00 0.00 C ATOM 578 CG1 ILE A 39 -2.250 14.294 -0.003 1.00 0.00 C ATOM 579 CG2 ILE A 39 -1.058 12.336 1.017 1.00 0.00 C ATOM 580 CD1 ILE A 39 -1.050 15.165 0.298 1.00 0.00 C ATOM 0 H ILE A 39 -5.068 13.368 1.105 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.227 11.756 -0.541 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.638 13.447 1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.184 13.942 -1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.155 14.898 0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.277 13.013 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.157 11.506 1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.792 11.951 0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.022 16.001 -0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.124 15.547 1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.138 14.576 0.196 1.00 0.00 H new ATOM 592 N CYS A 40 -3.094 9.841 1.059 1.00 0.00 N ATOM 593 CA CYS A 40 -3.162 8.658 1.910 1.00 0.00 C ATOM 594 C CYS A 40 -1.789 8.010 2.052 1.00 0.00 C ATOM 595 O CYS A 40 -1.228 7.499 1.083 1.00 0.00 O ATOM 596 CB CYS A 40 -4.159 7.649 1.338 1.00 0.00 C ATOM 597 SG CYS A 40 -4.934 6.591 2.582 1.00 0.00 S ATOM 0 H CYS A 40 -2.596 9.700 0.180 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.499 8.971 2.898 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.938 8.189 0.800 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.646 7.020 0.610 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.552 7.329 3.455 1.00 0.00 H new ATOM 603 N LYS A 41 -1.251 8.036 3.267 1.00 0.00 N ATOM 604 CA LYS A 41 0.057 7.452 3.538 1.00 0.00 C ATOM 605 C LYS A 41 -0.083 6.098 4.226 1.00 0.00 C ATOM 606 O LYS A 41 -0.629 6.004 5.326 1.00 0.00 O ATOM 607 CB LYS A 41 0.889 8.396 4.409 1.00 0.00 C ATOM 608 CG LYS A 41 2.255 7.840 4.775 1.00 0.00 C ATOM 609 CD LYS A 41 3.104 8.875 5.493 1.00 0.00 C ATOM 610 CE LYS A 41 3.619 9.937 4.533 1.00 0.00 C ATOM 611 NZ LYS A 41 4.316 11.041 5.249 1.00 0.00 N ATOM 0 H LYS A 41 -1.701 8.456 4.080 1.00 0.00 H new ATOM 0 HA LYS A 41 0.565 7.304 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.020 9.342 3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.338 8.614 5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.133 6.963 5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.768 7.510 3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.515 9.348 6.279 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.947 8.383 5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.303 9.479 3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.785 10.344 3.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.652 11.744 4.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.657 11.495 5.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.127 10.656 5.774 1.00 0.00 H new ATOM 625 N CYS A 42 0.413 5.054 3.573 1.00 0.00 N ATOM 626 CA CYS A 42 0.343 3.704 4.122 1.00 0.00 C ATOM 627 C CYS A 42 1.538 3.424 5.027 1.00 0.00 C ATOM 628 O CYS A 42 2.681 3.386 4.571 1.00 0.00 O ATOM 629 CB CYS A 42 0.289 2.673 2.994 1.00 0.00 C ATOM 630 SG CYS A 42 -0.216 1.021 3.527 1.00 0.00 S ATOM 0 H CYS A 42 0.868 5.116 2.662 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.567 3.627 4.717 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.404 3.024 2.229 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.272 2.608 2.528 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.506 0.904 3.414 1.00 0.00 H new ATOM 636 N LYS A 43 1.267 3.228 6.313 1.00 0.00 N ATOM 637 CA LYS A 43 2.319 2.951 7.284 1.00 0.00 C ATOM 638 C LYS A 43 2.207 1.526 7.816 1.00 0.00 C ATOM 639 O LYS A 43 1.172 1.135 8.356 1.00 0.00 O ATOM 640 CB LYS A 43 2.247 3.947 8.444 1.00 0.00 C ATOM 641 CG LYS A 43 3.030 5.225 8.198 1.00 0.00 C ATOM 642 CD LYS A 43 2.971 6.155 9.399 1.00 0.00 C ATOM 643 CE LYS A 43 3.976 7.290 9.275 1.00 0.00 C ATOM 644 NZ LYS A 43 3.404 8.460 8.554 1.00 0.00 N ATOM 0 H LYS A 43 0.327 3.256 6.707 1.00 0.00 H new ATOM 0 HA LYS A 43 3.280 3.058 6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.203 4.200 8.630 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.624 3.468 9.347 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.069 4.980 7.977 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.630 5.735 7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.966 6.566 9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.170 5.589 10.309 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.300 7.599 10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.861 6.935 8.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.142 8.902 7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.623 8.144 7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.047 9.152 9.243 1.00 0.00 H new ATOM 658 N ILE A 44 3.279 0.756 7.662 1.00 0.00 N ATOM 659 CA ILE A 44 3.301 -0.625 8.129 1.00 0.00 C ATOM 660 C ILE A 44 3.992 -0.735 9.484 1.00 0.00 C ATOM 661 O ILE A 44 5.208 -0.580 9.586 1.00 0.00 O ATOM 662 CB ILE A 44 4.014 -1.548 7.124 1.00 0.00 C ATOM 663 CG1 ILE A 44 3.623 -1.178 5.692 1.00 0.00 C ATOM 664 CG2 ILE A 44 3.677 -3.004 7.411 1.00 0.00 C ATOM 665 CD1 ILE A 44 2.264 -1.701 5.281 1.00 0.00 C ATOM 0 H ILE A 44 4.144 1.065 7.218 1.00 0.00 H new ATOM 0 HA ILE A 44 2.263 -0.942 8.226 1.00 0.00 H new ATOM 0 HB ILE A 44 5.091 -1.416 7.232 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.631 -0.093 5.591 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.376 -1.568 5.007 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.188 -3.644 6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.000 -3.260 8.420 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.600 -3.152 7.327 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.054 -1.400 4.255 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.257 -2.789 5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.501 -1.291 5.943 1.00 0.00 H new ATOM 677 N GLY A 45 3.208 -1.007 10.522 1.00 0.00 N ATOM 678 CA GLY A 45 3.763 -1.136 11.857 1.00 0.00 C ATOM 679 C GLY A 45 4.489 0.116 12.307 1.00 0.00 C ATOM 680 O GLY A 45 5.633 0.050 12.755 1.00 0.00 O ATOM 0 H GLY A 45 2.198 -1.140 10.463 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.961 -1.360 12.560 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.452 -1.980 11.880 1.00 0.00 H new ATOM 684 N GLN A 46 3.823 1.260 12.185 1.00 0.00 N ATOM 685 CA GLN A 46 4.414 2.533 12.581 1.00 0.00 C ATOM 686 C GLN A 46 5.626 2.863 11.716 1.00 0.00 C ATOM 687 O GLN A 46 6.524 3.592 12.138 1.00 0.00 O ATOM 688 CB GLN A 46 4.819 2.494 14.055 1.00 0.00 C ATOM 689 CG GLN A 46 3.718 1.996 14.977 1.00 0.00 C ATOM 690 CD GLN A 46 2.814 3.111 15.463 1.00 0.00 C ATOM 691 OE1 GLN A 46 3.145 4.291 15.341 1.00 0.00 O ATOM 692 NE2 GLN A 46 1.664 2.744 16.017 1.00 0.00 N ATOM 0 H GLN A 46 2.875 1.331 11.816 1.00 0.00 H new ATOM 0 HA GLN A 46 3.666 3.313 12.438 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.692 1.851 14.166 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.118 3.495 14.367 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.120 1.251 14.452 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.167 1.497 15.836 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.430 1.755 16.098 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.015 3.452 16.361 1.00 0.00 H new ATOM 701 N THR A 47 5.646 2.320 10.503 1.00 0.00 N ATOM 702 CA THR A 47 6.748 2.555 9.579 1.00 0.00 C ATOM 703 C THR A 47 6.246 3.124 8.257 1.00 0.00 C ATOM 704 O THR A 47 5.284 2.619 7.679 1.00 0.00 O ATOM 705 CB THR A 47 7.535 1.260 9.301 1.00 0.00 C ATOM 706 OG1 THR A 47 7.859 0.610 10.535 1.00 0.00 O ATOM 707 CG2 THR A 47 8.810 1.556 8.527 1.00 0.00 C ATOM 0 H THR A 47 4.911 1.714 10.138 1.00 0.00 H new ATOM 0 HA THR A 47 7.410 3.279 10.055 1.00 0.00 H new ATOM 0 HB THR A 47 6.909 0.603 8.698 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.167 -0.050 10.749 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.348 0.626 8.343 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.558 2.024 7.575 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.439 2.231 9.107 1.00 0.00 H new ATOM 715 N MET A 48 6.904 4.178 7.784 1.00 0.00 N ATOM 716 CA MET A 48 6.524 4.814 6.528 1.00 0.00 C ATOM 717 C MET A 48 7.049 4.021 5.336 1.00 0.00 C ATOM 718 O MET A 48 8.258 3.932 5.121 1.00 0.00 O ATOM 719 CB MET A 48 7.057 6.247 6.476 1.00 0.00 C ATOM 720 CG MET A 48 6.645 7.004 5.224 1.00 0.00 C ATOM 721 SD MET A 48 7.842 8.267 4.750 1.00 0.00 S ATOM 722 CE MET A 48 7.216 8.738 3.139 1.00 0.00 C ATOM 0 H MET A 48 7.702 4.609 8.251 1.00 0.00 H new ATOM 0 HA MET A 48 5.435 4.836 6.476 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.702 6.790 7.352 1.00 0.00 H new ATOM 0 HB3 MET A 48 8.145 6.223 6.535 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.522 6.299 4.402 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.675 7.472 5.390 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.051 8.978 2.480 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.645 7.912 2.715 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.571 9.611 3.240 1.00 0.00 H new ATOM 732 N TYR A 49 6.133 3.446 4.564 1.00 0.00 N ATOM 733 CA TYR A 49 6.504 2.657 3.395 1.00 0.00 C ATOM 734 C TYR A 49 6.206 3.419 2.108 1.00 0.00 C ATOM 735 O TYR A 49 7.107 3.704 1.320 1.00 0.00 O ATOM 736 CB TYR A 49 5.756 1.323 3.396 1.00 0.00 C ATOM 737 CG TYR A 49 6.494 0.215 4.115 1.00 0.00 C ATOM 738 CD1 TYR A 49 6.507 0.150 5.503 1.00 0.00 C ATOM 739 CD2 TYR A 49 7.178 -0.765 3.407 1.00 0.00 C ATOM 740 CE1 TYR A 49 7.180 -0.859 6.164 1.00 0.00 C ATOM 741 CE2 TYR A 49 7.852 -1.778 4.059 1.00 0.00 C ATOM 742 CZ TYR A 49 7.850 -1.821 5.438 1.00 0.00 C ATOM 743 OH TYR A 49 8.522 -2.828 6.092 1.00 0.00 O ATOM 0 H TYR A 49 5.128 3.512 4.727 1.00 0.00 H new ATOM 0 HA TYR A 49 7.576 2.465 3.443 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.782 1.463 3.864 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.574 1.018 2.366 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.982 0.901 6.075 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.183 -0.734 2.327 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.181 -0.894 7.243 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.378 -2.533 3.493 1.00 0.00 H new ATOM 0 HH TYR A 49 8.940 -3.423 5.435 1.00 0.00 H new ATOM 753 N GLY A 50 4.934 3.746 1.901 1.00 0.00 N ATOM 754 CA GLY A 50 4.539 4.472 0.709 1.00 0.00 C ATOM 755 C GLY A 50 3.322 5.346 0.939 1.00 0.00 C ATOM 756 O GLY A 50 2.607 5.182 1.928 1.00 0.00 O ATOM 0 H GLY A 50 4.170 3.521 2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.370 5.093 0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.327 3.763 -0.091 1.00 0.00 H new ATOM 760 N THR A 51 3.085 6.281 0.024 1.00 0.00 N ATOM 761 CA THR A 51 1.948 7.186 0.132 1.00 0.00 C ATOM 762 C THR A 51 1.362 7.501 -1.239 1.00 0.00 C ATOM 763 O THR A 51 2.016 7.308 -2.263 1.00 0.00 O ATOM 764 CB THR A 51 2.345 8.505 0.823 1.00 0.00 C ATOM 765 OG1 THR A 51 1.228 9.401 0.845 1.00 0.00 O ATOM 766 CG2 THR A 51 3.515 9.161 0.106 1.00 0.00 C ATOM 0 H THR A 51 3.666 6.431 -0.801 1.00 0.00 H new ATOM 0 HA THR A 51 1.196 6.678 0.736 1.00 0.00 H new ATOM 0 HB THR A 51 2.648 8.278 1.845 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.487 10.236 1.287 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.777 10.090 0.612 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.372 8.488 0.117 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.235 9.376 -0.925 1.00 0.00 H new ATOM 774 N GLY A 52 0.125 7.987 -1.252 1.00 0.00 N ATOM 775 CA GLY A 52 -0.528 8.321 -2.504 1.00 0.00 C ATOM 776 C GLY A 52 -1.372 9.576 -2.401 1.00 0.00 C ATOM 777 O GLY A 52 -1.669 10.045 -1.302 1.00 0.00 O ATOM 0 H GLY A 52 -0.437 8.155 -0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.227 8.457 -3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.158 7.488 -2.815 1.00 0.00 H new ATOM 781 N SER A 53 -1.759 10.123 -3.549 1.00 0.00 N ATOM 782 CA SER A 53 -2.569 11.335 -3.584 1.00 0.00 C ATOM 783 C SER A 53 -3.449 11.365 -4.830 1.00 0.00 C ATOM 784 O SER A 53 -2.978 11.129 -5.942 1.00 0.00 O ATOM 785 CB SER A 53 -1.673 12.574 -3.549 1.00 0.00 C ATOM 786 OG SER A 53 -0.571 12.383 -2.678 1.00 0.00 O ATOM 0 H SER A 53 -1.525 9.746 -4.467 1.00 0.00 H new ATOM 0 HA SER A 53 -3.214 11.337 -2.705 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.312 12.794 -4.554 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.253 13.437 -3.222 1.00 0.00 H new ATOM 0 HG SER A 53 -0.013 13.189 -2.675 1.00 0.00 H new ATOM 792 N GLY A 54 -4.731 11.657 -4.635 1.00 0.00 N ATOM 793 CA GLY A 54 -5.657 11.712 -5.751 1.00 0.00 C ATOM 794 C GLY A 54 -6.883 12.550 -5.446 1.00 0.00 C ATOM 795 O GLY A 54 -7.072 12.998 -4.315 1.00 0.00 O ATOM 0 H GLY A 54 -5.145 11.856 -3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.147 12.123 -6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.968 10.700 -6.012 1.00 0.00 H new ATOM 799 N VAL A 55 -7.718 12.765 -6.457 1.00 0.00 N ATOM 800 CA VAL A 55 -8.932 13.556 -6.292 1.00 0.00 C ATOM 801 C VAL A 55 -9.890 12.893 -5.308 1.00 0.00 C ATOM 802 O VAL A 55 -10.644 13.569 -4.608 1.00 0.00 O ATOM 803 CB VAL A 55 -9.656 13.761 -7.636 1.00 0.00 C ATOM 804 CG1 VAL A 55 -8.805 14.600 -8.578 1.00 0.00 C ATOM 805 CG2 VAL A 55 -9.998 12.419 -8.267 1.00 0.00 C ATOM 0 H VAL A 55 -7.576 12.402 -7.400 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.626 14.526 -5.901 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.587 14.297 -7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.332 14.734 -9.522 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.615 15.574 -8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.857 14.094 -8.761 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.509 12.583 -9.216 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.082 11.855 -8.441 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.648 11.857 -7.597 1.00 0.00 H new ATOM 815 N THR A 56 -9.854 11.565 -5.258 1.00 0.00 N ATOM 816 CA THR A 56 -10.718 10.810 -4.360 1.00 0.00 C ATOM 817 C THR A 56 -9.900 9.964 -3.391 1.00 0.00 C ATOM 818 O THR A 56 -8.836 9.453 -3.742 1.00 0.00 O ATOM 819 CB THR A 56 -11.676 9.892 -5.143 1.00 0.00 C ATOM 820 OG1 THR A 56 -12.271 10.615 -6.227 1.00 0.00 O ATOM 821 CG2 THR A 56 -12.766 9.346 -4.233 1.00 0.00 C ATOM 0 H THR A 56 -9.235 10.990 -5.830 1.00 0.00 H new ATOM 0 HA THR A 56 -11.302 11.538 -3.797 1.00 0.00 H new ATOM 0 HB THR A 56 -11.100 9.055 -5.538 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.877 10.024 -6.721 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.430 8.701 -4.808 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.312 8.772 -3.425 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.338 10.174 -3.813 1.00 0.00 H new ATOM 829 N LYS A 57 -10.403 9.819 -2.170 1.00 0.00 N ATOM 830 CA LYS A 57 -9.720 9.033 -1.150 1.00 0.00 C ATOM 831 C LYS A 57 -9.160 7.743 -1.741 1.00 0.00 C ATOM 832 O LYS A 57 -7.948 7.530 -1.749 1.00 0.00 O ATOM 833 CB LYS A 57 -10.679 8.706 -0.002 1.00 0.00 C ATOM 834 CG LYS A 57 -9.975 8.382 1.304 1.00 0.00 C ATOM 835 CD LYS A 57 -9.745 9.630 2.139 1.00 0.00 C ATOM 836 CE LYS A 57 -9.699 9.307 3.624 1.00 0.00 C ATOM 837 NZ LYS A 57 -10.154 10.455 4.456 1.00 0.00 N ATOM 0 H LYS A 57 -11.282 10.236 -1.863 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.890 9.626 -0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.347 9.553 0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.301 7.859 -0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.571 7.668 1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.019 7.903 1.094 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.809 10.102 1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.541 10.349 1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.328 8.440 3.827 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.681 9.036 3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.156 10.178 5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.509 11.259 4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.115 10.731 4.171 1.00 0.00 H new ATOM 851 N GLN A 58 -10.050 6.889 -2.235 1.00 0.00 N ATOM 852 CA GLN A 58 -9.642 5.621 -2.829 1.00 0.00 C ATOM 853 C GLN A 58 -8.398 5.799 -3.692 1.00 0.00 C ATOM 854 O GLN A 58 -7.359 5.192 -3.432 1.00 0.00 O ATOM 855 CB GLN A 58 -10.780 5.038 -3.668 1.00 0.00 C ATOM 856 CG GLN A 58 -10.726 3.524 -3.799 1.00 0.00 C ATOM 857 CD GLN A 58 -11.666 2.996 -4.865 1.00 0.00 C ATOM 858 OE1 GLN A 58 -11.777 3.569 -5.949 1.00 0.00 O ATOM 859 NE2 GLN A 58 -12.348 1.898 -4.562 1.00 0.00 N ATOM 0 H GLN A 58 -11.057 7.051 -2.236 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.404 4.930 -2.021 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.732 5.322 -3.220 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.751 5.482 -4.663 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -9.707 3.220 -4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.979 3.071 -2.840 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -12.225 1.456 -3.651 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.995 1.496 -5.240 1.00 0.00 H new ATOM 868 N GLU A 59 -8.511 6.635 -4.720 1.00 0.00 N ATOM 869 CA GLU A 59 -7.394 6.891 -5.622 1.00 0.00 C ATOM 870 C GLU A 59 -6.069 6.872 -4.865 1.00 0.00 C ATOM 871 O GLU A 59 -5.122 6.196 -5.267 1.00 0.00 O ATOM 872 CB GLU A 59 -7.575 8.239 -6.323 1.00 0.00 C ATOM 873 CG GLU A 59 -6.647 8.436 -7.510 1.00 0.00 C ATOM 874 CD GLU A 59 -7.210 9.402 -8.535 1.00 0.00 C ATOM 875 OE1 GLU A 59 -8.304 9.127 -9.071 1.00 0.00 O ATOM 876 OE2 GLU A 59 -6.557 10.432 -8.801 1.00 0.00 O ATOM 0 H GLU A 59 -9.364 7.146 -4.949 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.376 6.100 -6.371 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.608 8.328 -6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.405 9.039 -5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.685 8.807 -7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.462 7.473 -7.986 1.00 0.00 H new ATOM 883 N ALA A 60 -6.009 7.620 -3.768 1.00 0.00 N ATOM 884 CA ALA A 60 -4.802 7.688 -2.955 1.00 0.00 C ATOM 885 C ALA A 60 -4.593 6.397 -2.172 1.00 0.00 C ATOM 886 O ALA A 60 -3.585 5.711 -2.342 1.00 0.00 O ATOM 887 CB ALA A 60 -4.871 8.877 -2.007 1.00 0.00 C ATOM 0 H ALA A 60 -6.783 8.187 -3.422 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.951 7.818 -3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.963 8.916 -1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.964 9.797 -2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.736 8.770 -1.352 1.00 0.00 H new ATOM 893 N LYS A 61 -5.552 6.070 -1.312 1.00 0.00 N ATOM 894 CA LYS A 61 -5.475 4.860 -0.502 1.00 0.00 C ATOM 895 C LYS A 61 -5.014 3.673 -1.341 1.00 0.00 C ATOM 896 O LYS A 61 -4.454 2.711 -0.815 1.00 0.00 O ATOM 897 CB LYS A 61 -6.836 4.556 0.128 1.00 0.00 C ATOM 898 CG LYS A 61 -6.742 3.821 1.454 1.00 0.00 C ATOM 899 CD LYS A 61 -7.924 4.140 2.353 1.00 0.00 C ATOM 900 CE LYS A 61 -9.165 3.365 1.938 1.00 0.00 C ATOM 901 NZ LYS A 61 -10.189 3.336 3.019 1.00 0.00 N ATOM 0 H LYS A 61 -6.393 6.627 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.745 5.028 0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.375 5.492 0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.424 3.958 -0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.700 2.747 1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.816 4.096 1.958 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.672 3.900 3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.132 5.209 2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.594 3.818 1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.885 2.345 1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.019 2.798 2.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.789 2.881 3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.475 4.308 3.252 1.00 0.00 H new ATOM 915 N GLN A 62 -5.251 3.748 -2.646 1.00 0.00 N ATOM 916 CA GLN A 62 -4.859 2.679 -3.557 1.00 0.00 C ATOM 917 C GLN A 62 -3.375 2.772 -3.898 1.00 0.00 C ATOM 918 O GLN A 62 -2.580 1.922 -3.496 1.00 0.00 O ATOM 919 CB GLN A 62 -5.694 2.739 -4.837 1.00 0.00 C ATOM 920 CG GLN A 62 -7.044 2.052 -4.715 1.00 0.00 C ATOM 921 CD GLN A 62 -7.696 1.803 -6.060 1.00 0.00 C ATOM 922 OE1 GLN A 62 -8.815 2.251 -6.314 1.00 0.00 O ATOM 923 NE2 GLN A 62 -6.998 1.084 -6.932 1.00 0.00 N ATOM 0 H GLN A 62 -5.713 4.538 -3.097 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.040 1.726 -3.059 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.850 3.783 -5.111 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.133 2.277 -5.649 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.918 1.102 -4.195 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.705 2.665 -4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.074 0.732 -6.680 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.386 0.884 -7.854 1.00 0.00 H new ATOM 932 N LEU A 63 -3.009 3.809 -4.643 1.00 0.00 N ATOM 933 CA LEU A 63 -1.620 4.014 -5.039 1.00 0.00 C ATOM 934 C LEU A 63 -0.680 3.808 -3.856 1.00 0.00 C ATOM 935 O LEU A 63 0.315 3.092 -3.958 1.00 0.00 O ATOM 936 CB LEU A 63 -1.434 5.419 -5.615 1.00 0.00 C ATOM 937 CG LEU A 63 -2.374 5.805 -6.757 1.00 0.00 C ATOM 938 CD1 LEU A 63 -2.634 7.304 -6.751 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.794 5.369 -8.095 1.00 0.00 C ATOM 0 H LEU A 63 -3.654 4.521 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.375 3.279 -5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.560 6.141 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.407 5.512 -5.969 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.324 5.291 -6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.305 7.560 -7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.092 7.590 -5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.691 7.837 -6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.476 5.652 -8.897 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.831 5.855 -8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.659 4.287 -8.098 1.00 0.00 H new ATOM 951 N ALA A 64 -1.004 4.441 -2.733 1.00 0.00 N ATOM 952 CA ALA A 64 -0.191 4.324 -1.528 1.00 0.00 C ATOM 953 C ALA A 64 0.413 2.930 -1.407 1.00 0.00 C ATOM 954 O ALA A 64 1.543 2.770 -0.945 1.00 0.00 O ATOM 955 CB ALA A 64 -1.023 4.651 -0.297 1.00 0.00 C ATOM 0 H ALA A 64 -1.823 5.040 -2.632 1.00 0.00 H new ATOM 0 HA ALA A 64 0.628 5.040 -1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.404 4.560 0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.401 5.670 -0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.861 3.957 -0.230 1.00 0.00 H new ATOM 961 N ALA A 65 -0.346 1.922 -1.824 1.00 0.00 N ATOM 962 CA ALA A 65 0.115 0.541 -1.763 1.00 0.00 C ATOM 963 C ALA A 65 1.145 0.257 -2.851 1.00 0.00 C ATOM 964 O ALA A 65 2.182 -0.354 -2.595 1.00 0.00 O ATOM 965 CB ALA A 65 -1.062 -0.415 -1.885 1.00 0.00 C ATOM 0 H ALA A 65 -1.284 2.036 -2.208 1.00 0.00 H new ATOM 0 HA ALA A 65 0.595 0.387 -0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.702 -1.443 -1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.761 -0.237 -1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.567 -0.251 -2.837 1.00 0.00 H new ATOM 971 N LYS A 66 0.851 0.704 -4.068 1.00 0.00 N ATOM 972 CA LYS A 66 1.751 0.500 -5.196 1.00 0.00 C ATOM 973 C LYS A 66 3.201 0.730 -4.785 1.00 0.00 C ATOM 974 O LYS A 66 4.071 -0.096 -5.059 1.00 0.00 O ATOM 975 CB LYS A 66 1.381 1.439 -6.347 1.00 0.00 C ATOM 976 CG LYS A 66 1.992 1.039 -7.679 1.00 0.00 C ATOM 977 CD LYS A 66 1.261 1.686 -8.844 1.00 0.00 C ATOM 978 CE LYS A 66 1.493 0.923 -10.139 1.00 0.00 C ATOM 979 NZ LYS A 66 1.022 1.689 -11.326 1.00 0.00 N ATOM 0 H LYS A 66 -0.004 1.210 -4.298 1.00 0.00 H new ATOM 0 HA LYS A 66 1.646 -0.533 -5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.296 1.466 -6.448 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.703 2.450 -6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.042 1.330 -7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.959 -0.045 -7.785 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.193 1.724 -8.629 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.600 2.715 -8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.555 0.704 -10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.973 -0.034 -10.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.198 1.135 -12.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.003 1.876 -11.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.536 2.591 -11.383 1.00 0.00 H new ATOM 993 N GLU A 67 3.453 1.856 -4.124 1.00 0.00 N ATOM 994 CA GLU A 67 4.798 2.193 -3.675 1.00 0.00 C ATOM 995 C GLU A 67 5.230 1.288 -2.525 1.00 0.00 C ATOM 996 O GLU A 67 6.269 0.631 -2.594 1.00 0.00 O ATOM 997 CB GLU A 67 4.862 3.658 -3.237 1.00 0.00 C ATOM 998 CG GLU A 67 4.682 4.642 -4.380 1.00 0.00 C ATOM 999 CD GLU A 67 5.696 4.441 -5.489 1.00 0.00 C ATOM 1000 OE1 GLU A 67 6.892 4.265 -5.176 1.00 0.00 O ATOM 1001 OE2 GLU A 67 5.293 4.460 -6.671 1.00 0.00 O ATOM 0 H GLU A 67 2.743 2.549 -3.888 1.00 0.00 H new ATOM 0 HA GLU A 67 5.481 2.041 -4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.091 3.839 -2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.823 3.843 -2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.677 4.538 -4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.766 5.659 -3.996 1.00 0.00 H new ATOM 1008 N ALA A 68 4.425 1.259 -1.468 1.00 0.00 N ATOM 1009 CA ALA A 68 4.722 0.435 -0.303 1.00 0.00 C ATOM 1010 C ALA A 68 5.239 -0.938 -0.720 1.00 0.00 C ATOM 1011 O ALA A 68 6.268 -1.401 -0.225 1.00 0.00 O ATOM 1012 CB ALA A 68 3.485 0.291 0.572 1.00 0.00 C ATOM 0 H ALA A 68 3.562 1.797 -1.395 1.00 0.00 H new ATOM 0 HA ALA A 68 5.504 0.931 0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.722 -0.327 1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.160 1.276 0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.686 -0.179 -0.002 1.00 0.00 H new ATOM 1018 N TYR A 69 4.520 -1.584 -1.631 1.00 0.00 N ATOM 1019 CA TYR A 69 4.906 -2.906 -2.112 1.00 0.00 C ATOM 1020 C TYR A 69 6.352 -2.909 -2.598 1.00 0.00 C ATOM 1021 O TYR A 69 7.189 -3.647 -2.080 1.00 0.00 O ATOM 1022 CB TYR A 69 3.975 -3.352 -3.241 1.00 0.00 C ATOM 1023 CG TYR A 69 4.139 -4.806 -3.622 1.00 0.00 C ATOM 1024 CD1 TYR A 69 4.042 -5.809 -2.666 1.00 0.00 C ATOM 1025 CD2 TYR A 69 4.392 -5.176 -4.937 1.00 0.00 C ATOM 1026 CE1 TYR A 69 4.191 -7.139 -3.009 1.00 0.00 C ATOM 1027 CE2 TYR A 69 4.541 -6.503 -5.289 1.00 0.00 C ATOM 1028 CZ TYR A 69 4.440 -7.481 -4.322 1.00 0.00 C ATOM 1029 OH TYR A 69 4.590 -8.804 -4.669 1.00 0.00 O ATOM 0 H TYR A 69 3.667 -1.214 -2.051 1.00 0.00 H new ATOM 0 HA TYR A 69 4.821 -3.606 -1.281 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.942 -3.179 -2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.159 -2.732 -4.119 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.847 -5.545 -1.637 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.474 -4.413 -5.697 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.113 -7.907 -2.253 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.736 -6.773 -6.316 1.00 0.00 H new ATOM 0 HH TYR A 69 4.759 -8.872 -5.632 1.00 0.00 H new ATOM 1039 N GLN A 70 6.636 -2.077 -3.595 1.00 0.00 N ATOM 1040 CA GLN A 70 7.980 -1.983 -4.151 1.00 0.00 C ATOM 1041 C GLN A 70 9.028 -1.958 -3.043 1.00 0.00 C ATOM 1042 O GLN A 70 10.008 -2.702 -3.083 1.00 0.00 O ATOM 1043 CB GLN A 70 8.109 -0.731 -5.020 1.00 0.00 C ATOM 1044 CG GLN A 70 7.586 -0.915 -6.435 1.00 0.00 C ATOM 1045 CD GLN A 70 8.627 -1.495 -7.371 1.00 0.00 C ATOM 1046 OE1 GLN A 70 9.090 -2.620 -7.182 1.00 0.00 O ATOM 1047 NE2 GLN A 70 9.001 -0.729 -8.389 1.00 0.00 N ATOM 0 H GLN A 70 5.954 -1.459 -4.034 1.00 0.00 H new ATOM 0 HA GLN A 70 8.152 -2.865 -4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.568 0.088 -4.545 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.158 -0.437 -5.065 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.716 -1.571 -6.414 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.251 0.047 -6.822 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.591 0.197 -8.508 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.698 -1.067 -9.052 1.00 0.00 H new ATOM 1056 N LYS A 71 8.814 -1.097 -2.054 1.00 0.00 N ATOM 1057 CA LYS A 71 9.739 -0.974 -0.933 1.00 0.00 C ATOM 1058 C LYS A 71 9.941 -2.320 -0.244 1.00 0.00 C ATOM 1059 O LYS A 71 11.056 -2.667 0.149 1.00 0.00 O ATOM 1060 CB LYS A 71 9.217 0.053 0.075 1.00 0.00 C ATOM 1061 CG LYS A 71 10.291 0.592 1.004 1.00 0.00 C ATOM 1062 CD LYS A 71 9.691 1.427 2.124 1.00 0.00 C ATOM 1063 CE LYS A 71 10.558 1.388 3.373 1.00 0.00 C ATOM 1064 NZ LYS A 71 9.927 2.116 4.509 1.00 0.00 N ATOM 0 H LYS A 71 8.008 -0.474 -2.006 1.00 0.00 H new ATOM 0 HA LYS A 71 10.700 -0.637 -1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.766 0.884 -0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.428 -0.404 0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.855 -0.238 1.430 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.996 1.198 0.434 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.578 2.458 1.790 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.693 1.057 2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.736 0.351 3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.530 1.829 3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.659 2.392 5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.448 2.967 4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.233 1.497 4.975 1.00 0.00 H new ATOM 1078 N LEU A 72 8.857 -3.076 -0.103 1.00 0.00 N ATOM 1079 CA LEU A 72 8.916 -4.386 0.536 1.00 0.00 C ATOM 1080 C LEU A 72 9.728 -5.366 -0.304 1.00 0.00 C ATOM 1081 O LEU A 72 10.550 -6.119 0.221 1.00 0.00 O ATOM 1082 CB LEU A 72 7.504 -4.932 0.755 1.00 0.00 C ATOM 1083 CG LEU A 72 6.825 -4.530 2.065 1.00 0.00 C ATOM 1084 CD1 LEU A 72 5.334 -4.821 2.005 1.00 0.00 C ATOM 1085 CD2 LEU A 72 7.464 -5.253 3.241 1.00 0.00 C ATOM 0 H LEU A 72 7.927 -2.804 -0.423 1.00 0.00 H new ATOM 0 HA LEU A 72 9.408 -4.270 1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.876 -4.602 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.546 -6.020 0.710 1.00 0.00 H new ATOM 0 HG LEU A 72 6.960 -3.458 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.868 -4.528 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.886 -4.257 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.178 -5.887 1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.968 -4.955 4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.361 -6.330 3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.521 -4.994 3.297 1.00 0.00 H new ATOM 1097 N LEU A 73 9.494 -5.352 -1.612 1.00 0.00 N ATOM 1098 CA LEU A 73 10.205 -6.238 -2.527 1.00 0.00 C ATOM 1099 C LEU A 73 11.707 -5.979 -2.478 1.00 0.00 C ATOM 1100 O LEU A 73 12.512 -6.884 -2.700 1.00 0.00 O ATOM 1101 CB LEU A 73 9.690 -6.049 -3.955 1.00 0.00 C ATOM 1102 CG LEU A 73 8.174 -6.134 -4.138 1.00 0.00 C ATOM 1103 CD1 LEU A 73 7.773 -5.619 -5.511 1.00 0.00 C ATOM 1104 CD2 LEU A 73 7.692 -7.564 -3.941 1.00 0.00 C ATOM 0 H LEU A 73 8.817 -4.736 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 73 10.021 -7.266 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.025 -5.076 -4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.156 -6.802 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 73 7.700 -5.505 -3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.691 -5.687 -5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.084 -4.579 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.256 -6.221 -6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.611 -7.605 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.173 -8.214 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.946 -7.898 -2.935 1.00 0.00 H new ATOM 1116 N LYS A 74 12.080 -4.738 -2.183 1.00 0.00 N ATOM 1117 CA LYS A 74 13.485 -4.359 -2.101 1.00 0.00 C ATOM 1118 C LYS A 74 14.066 -4.717 -0.737 1.00 0.00 C ATOM 1119 O LYS A 74 14.920 -5.597 -0.626 1.00 0.00 O ATOM 1120 CB LYS A 74 13.646 -2.860 -2.358 1.00 0.00 C ATOM 1121 CG LYS A 74 13.323 -2.449 -3.785 1.00 0.00 C ATOM 1122 CD LYS A 74 13.593 -0.972 -4.014 1.00 0.00 C ATOM 1123 CE LYS A 74 12.812 -0.442 -5.208 1.00 0.00 C ATOM 1124 NZ LYS A 74 13.519 -0.703 -6.493 1.00 0.00 N ATOM 0 H LYS A 74 11.427 -3.977 -1.997 1.00 0.00 H new ATOM 0 HA LYS A 74 14.030 -4.913 -2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.998 -2.311 -1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 74 14.671 -2.568 -2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.920 -3.041 -4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.277 -2.666 -3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.322 -0.409 -3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.659 -0.817 -4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.827 -0.909 -5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.654 0.630 -5.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 12.955 -0.327 -7.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.449 -0.237 -6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.648 -1.728 -6.617 1.00 0.00 H new ATOM 1138 N SER A 75 13.596 -4.030 0.300 1.00 0.00 N ATOM 1139 CA SER A 75 14.071 -4.274 1.657 1.00 0.00 C ATOM 1140 C SER A 75 12.911 -4.625 2.584 1.00 0.00 C ATOM 1141 O SER A 75 12.339 -3.767 3.256 1.00 0.00 O ATOM 1142 CB SER A 75 14.810 -3.045 2.190 1.00 0.00 C ATOM 1143 OG SER A 75 13.973 -1.902 2.180 1.00 0.00 O ATOM 0 H SER A 75 12.887 -3.300 0.226 1.00 0.00 H new ATOM 0 HA SER A 75 14.759 -5.119 1.628 1.00 0.00 H new ATOM 0 HB2 SER A 75 15.156 -3.237 3.206 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.695 -2.857 1.582 1.00 0.00 H new ATOM 0 HG SER A 75 13.119 -2.118 2.608 1.00 0.00 H new ATOM 1149 N PRO A 76 12.555 -5.918 2.620 1.00 0.00 N ATOM 1150 CA PRO A 76 11.461 -6.414 3.461 1.00 0.00 C ATOM 1151 C PRO A 76 11.802 -6.364 4.946 1.00 0.00 C ATOM 1152 O PRO A 76 12.944 -6.121 5.337 1.00 0.00 O ATOM 1153 CB PRO A 76 11.288 -7.863 3.000 1.00 0.00 C ATOM 1154 CG PRO A 76 12.619 -8.246 2.450 1.00 0.00 C ATOM 1155 CD PRO A 76 13.193 -6.995 1.845 1.00 0.00 C ATOM 0 HA PRO A 76 10.560 -5.809 3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 76 11.001 -8.511 3.828 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.508 -7.948 2.244 1.00 0.00 H new ATOM 0 HG2 PRO A 76 13.269 -8.633 3.235 1.00 0.00 H new ATOM 0 HG3 PRO A 76 12.520 -9.032 1.701 1.00 0.00 H new ATOM 0 HD2 PRO A 76 14.279 -6.966 1.936 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.960 -6.918 0.783 1.00 0.00 H new ATOM 1163 N PRO A 77 10.790 -6.599 5.795 1.00 0.00 N ATOM 1164 CA PRO A 77 10.960 -6.588 7.251 1.00 0.00 C ATOM 1165 C PRO A 77 11.782 -7.772 7.748 1.00 0.00 C ATOM 1166 O PRO A 77 11.503 -8.922 7.408 1.00 0.00 O ATOM 1167 CB PRO A 77 9.524 -6.676 7.775 1.00 0.00 C ATOM 1168 CG PRO A 77 8.762 -7.342 6.683 1.00 0.00 C ATOM 1169 CD PRO A 77 9.403 -6.895 5.398 1.00 0.00 C ATOM 0 HA PRO A 77 11.500 -5.705 7.592 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.475 -7.251 8.700 1.00 0.00 H new ATOM 0 HB3 PRO A 77 9.121 -5.687 7.993 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.804 -8.427 6.783 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.710 -7.060 6.713 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.360 -7.673 4.636 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.907 -6.017 4.985 1.00 0.00 H new ATOM 1177 N LYS A 78 12.797 -7.484 8.556 1.00 0.00 N ATOM 1178 CA LYS A 78 13.659 -8.525 9.102 1.00 0.00 C ATOM 1179 C LYS A 78 12.928 -9.333 10.169 1.00 0.00 C ATOM 1180 O LYS A 78 12.960 -10.564 10.162 1.00 0.00 O ATOM 1181 CB LYS A 78 14.927 -7.906 9.695 1.00 0.00 C ATOM 1182 CG LYS A 78 15.952 -8.932 10.146 1.00 0.00 C ATOM 1183 CD LYS A 78 17.125 -8.275 10.855 1.00 0.00 C ATOM 1184 CE LYS A 78 18.000 -7.499 9.882 1.00 0.00 C ATOM 1185 NZ LYS A 78 19.047 -8.362 9.269 1.00 0.00 N ATOM 0 H LYS A 78 13.043 -6.538 8.847 1.00 0.00 H new ATOM 0 HA LYS A 78 13.935 -9.197 8.289 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.383 -7.252 8.952 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.653 -7.281 10.545 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.478 -9.651 10.814 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.314 -9.490 9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.754 -7.602 11.628 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.722 -9.037 11.355 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.378 -7.070 9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.474 -6.668 10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.622 -7.797 8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.657 -8.752 10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.594 -9.141 8.750 1.00 0.00 H new ATOM 1199 N THR A 79 12.268 -8.633 11.087 1.00 0.00 N ATOM 1200 CA THR A 79 11.528 -9.285 12.160 1.00 0.00 C ATOM 1201 C THR A 79 10.916 -10.598 11.687 1.00 0.00 C ATOM 1202 O THR A 79 11.197 -11.660 12.242 1.00 0.00 O ATOM 1203 CB THR A 79 10.409 -8.377 12.703 1.00 0.00 C ATOM 1204 OG1 THR A 79 9.587 -7.914 11.626 1.00 0.00 O ATOM 1205 CG2 THR A 79 10.993 -7.187 13.450 1.00 0.00 C ATOM 0 H THR A 79 12.231 -7.614 11.108 1.00 0.00 H new ATOM 0 HA THR A 79 12.242 -9.487 12.959 1.00 0.00 H new ATOM 0 HB THR A 79 9.803 -8.960 13.397 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.877 -7.339 11.980 1.00 0.00 H new ATOM 0 HG21 THR A 79 10.184 -6.560 13.824 1.00 0.00 H new ATOM 0 HG22 THR A 79 11.594 -7.542 14.287 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.620 -6.605 12.774 1.00 0.00 H new ATOM 1213 N ALA A 80 10.080 -10.519 10.657 1.00 0.00 N ATOM 1214 CA ALA A 80 9.430 -11.703 10.108 1.00 0.00 C ATOM 1215 C ALA A 80 9.858 -11.943 8.664 1.00 0.00 C ATOM 1216 O ALA A 80 9.919 -11.013 7.861 1.00 0.00 O ATOM 1217 CB ALA A 80 7.918 -11.563 10.196 1.00 0.00 C ATOM 0 H ALA A 80 9.837 -9.648 10.186 1.00 0.00 H new ATOM 0 HA ALA A 80 9.739 -12.565 10.699 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.445 -12.454 9.783 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.623 -11.447 11.239 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.600 -10.688 9.630 1.00 0.00 H new ATOM 1223 N GLY A 81 10.154 -13.198 8.340 1.00 0.00 N ATOM 1224 CA GLY A 81 10.573 -13.538 6.993 1.00 0.00 C ATOM 1225 C GLY A 81 12.028 -13.198 6.735 1.00 0.00 C ATOM 1226 O GLY A 81 12.336 -12.176 6.122 1.00 0.00 O ATOM 0 H GLY A 81 10.111 -13.986 8.987 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.417 -14.604 6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 81 9.946 -13.007 6.276 1.00 0.00 H new ATOM 1230 N THR A 82 12.926 -14.058 7.206 1.00 0.00 N ATOM 1231 CA THR A 82 14.357 -13.843 7.027 1.00 0.00 C ATOM 1232 C THR A 82 14.837 -14.420 5.700 1.00 0.00 C ATOM 1233 O THR A 82 14.644 -15.603 5.420 1.00 0.00 O ATOM 1234 CB THR A 82 15.168 -14.476 8.173 1.00 0.00 C ATOM 1235 OG1 THR A 82 16.554 -14.143 8.034 1.00 0.00 O ATOM 1236 CG2 THR A 82 15.003 -15.988 8.182 1.00 0.00 C ATOM 0 H THR A 82 12.688 -14.910 7.714 1.00 0.00 H new ATOM 0 HA THR A 82 14.518 -12.765 7.031 1.00 0.00 H new ATOM 0 HB THR A 82 14.792 -14.080 9.116 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.063 -14.548 8.767 1.00 0.00 H new ATOM 0 HG21 THR A 82 15.585 -16.413 9.000 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.951 -16.238 8.317 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.355 -16.398 7.235 1.00 0.00 H new ATOM 1244 N SER A 83 15.464 -13.577 4.886 1.00 0.00 N ATOM 1245 CA SER A 83 15.970 -14.003 3.586 1.00 0.00 C ATOM 1246 C SER A 83 17.007 -15.111 3.744 1.00 0.00 C ATOM 1247 O SER A 83 16.854 -16.202 3.197 1.00 0.00 O ATOM 1248 CB SER A 83 16.583 -12.817 2.840 1.00 0.00 C ATOM 1249 OG SER A 83 16.578 -13.037 1.440 1.00 0.00 O ATOM 0 H SER A 83 15.634 -12.595 5.103 1.00 0.00 H new ATOM 0 HA SER A 83 15.133 -14.393 3.007 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.024 -11.910 3.071 1.00 0.00 H new ATOM 0 HB3 SER A 83 17.605 -12.657 3.182 1.00 0.00 H new ATOM 0 HG SER A 83 16.973 -12.264 0.986 1.00 0.00 H new ATOM 1255 N GLY A 84 18.064 -14.820 4.496 1.00 0.00 N ATOM 1256 CA GLY A 84 19.112 -15.801 4.713 1.00 0.00 C ATOM 1257 C GLY A 84 20.412 -15.421 4.031 1.00 0.00 C ATOM 1258 O GLY A 84 20.423 -14.746 3.001 1.00 0.00 O ATOM 0 H GLY A 84 18.214 -13.923 4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.286 -15.912 5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.780 -16.771 4.342 1.00 0.00 H new ATOM 1262 N PRO A 85 21.539 -15.858 4.611 1.00 0.00 N ATOM 1263 CA PRO A 85 22.871 -15.570 4.070 1.00 0.00 C ATOM 1264 C PRO A 85 23.139 -16.312 2.765 1.00 0.00 C ATOM 1265 O PRO A 85 23.516 -17.484 2.773 1.00 0.00 O ATOM 1266 CB PRO A 85 23.815 -16.064 5.170 1.00 0.00 C ATOM 1267 CG PRO A 85 23.037 -17.107 5.896 1.00 0.00 C ATOM 1268 CD PRO A 85 21.601 -16.666 5.840 1.00 0.00 C ATOM 0 HA PRO A 85 22.993 -14.514 3.827 1.00 0.00 H new ATOM 0 HB2 PRO A 85 24.732 -16.476 4.749 1.00 0.00 H new ATOM 0 HB3 PRO A 85 24.106 -15.252 5.836 1.00 0.00 H new ATOM 0 HG2 PRO A 85 23.164 -18.084 5.429 1.00 0.00 H new ATOM 0 HG3 PRO A 85 23.377 -17.200 6.928 1.00 0.00 H new ATOM 0 HD2 PRO A 85 20.921 -17.517 5.796 1.00 0.00 H new ATOM 0 HD3 PRO A 85 21.325 -16.083 6.719 1.00 0.00 H new ATOM 1276 N SER A 86 22.943 -15.623 1.646 1.00 0.00 N ATOM 1277 CA SER A 86 23.160 -16.218 0.333 1.00 0.00 C ATOM 1278 C SER A 86 22.786 -17.697 0.338 1.00 0.00 C ATOM 1279 O SER A 86 23.496 -18.530 -0.224 1.00 0.00 O ATOM 1280 CB SER A 86 24.621 -16.052 -0.090 1.00 0.00 C ATOM 1281 OG SER A 86 24.811 -16.450 -1.437 1.00 0.00 O ATOM 0 H SER A 86 22.634 -14.651 1.622 1.00 0.00 H new ATOM 0 HA SER A 86 22.520 -15.702 -0.383 1.00 0.00 H new ATOM 0 HB2 SER A 86 24.922 -15.011 0.031 1.00 0.00 H new ATOM 0 HB3 SER A 86 25.261 -16.646 0.562 1.00 0.00 H new ATOM 0 HG SER A 86 24.445 -17.350 -1.567 1.00 0.00 H new ATOM 1287 N SER A 87 21.665 -18.015 0.978 1.00 0.00 N ATOM 1288 CA SER A 87 21.196 -19.393 1.061 1.00 0.00 C ATOM 1289 C SER A 87 19.676 -19.458 0.948 1.00 0.00 C ATOM 1290 O SER A 87 18.960 -18.735 1.639 1.00 0.00 O ATOM 1291 CB SER A 87 21.649 -20.030 2.377 1.00 0.00 C ATOM 1292 OG SER A 87 23.062 -20.108 2.446 1.00 0.00 O ATOM 0 H SER A 87 21.065 -17.337 1.447 1.00 0.00 H new ATOM 0 HA SER A 87 21.628 -19.948 0.229 1.00 0.00 H new ATOM 0 HB2 SER A 87 21.273 -19.445 3.216 1.00 0.00 H new ATOM 0 HB3 SER A 87 21.222 -21.029 2.467 1.00 0.00 H new ATOM 0 HG SER A 87 23.430 -19.219 2.632 1.00 0.00 H new ATOM 1298 N GLY A 88 19.191 -20.331 0.070 1.00 0.00 N ATOM 1299 CA GLY A 88 17.759 -20.475 -0.119 1.00 0.00 C ATOM 1300 C GLY A 88 17.091 -21.189 1.039 1.00 0.00 C ATOM 1301 O GLY A 88 16.769 -20.572 2.055 1.00 0.00 O ATOM 0 H GLY A 88 19.764 -20.941 -0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 88 17.311 -19.489 -0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 88 17.571 -21.027 -1.040 1.00 0.00 H new TER 1305 GLY A 88