USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1241 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 102 ASN : amide:sc= 0.24 K(o=-0.18,f=-2.5) USER MOD Set 1.2: A 126 HIS : no HD1:sc= -0.419 K(o=-0.18,f=-3) USER MOD Set 2.1: A 61 MET CE :methyl -136:sc= -2.82 (180deg=-2.38!) USER MOD Set 2.2: A 92 HIS : no HD1:sc= -1.87! K(o=-4.3!,f=-7.3) USER MOD Set 2.3: A 99 SER OG : rot 86:sc= 2.07 USER MOD Set 2.4: A 115 CYS SG : rot 90:sc= -1.33! USER MOD Set 2.5: A 119 THR OG1 : rot -134:sc= -0.315 USER MOD Set 3.1: A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.45) USER MOD Set 3.2: A 71 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Set 4.1: A 63 GLN : amide:sc= 0.31 K(o=-1.4,f=-5.2!) USER MOD Set 4.2: A 111 GLN : amide:sc= -1.67 K(o=-1.4,f=-2.3) USER MOD Set 5.1: A 52 CYS SG : rot 12:sc= 0.391 USER MOD Set 5.2: A 54 HIS : no HE2:sc= 0.289 K(o=0.68,f=-1) USER MOD Set 6.1: A 35 ASN : amide:sc= -0.0477 K(o=-0.19,f=-4.5!) USER MOD Set 6.2: A 100 MET CE :methyl 180:sc= -0.142 (180deg=-0.142) USER MOD Set 7.1: A 5 THR OG1 : rot 130:sc= 0.956 USER MOD Set 7.2: A 133 LYS NZ :NH3+ 150:sc= 1.66 (180deg=0.422) USER MOD Single : A 3 ASN : amide:sc= -2.33! K(o=-2.3!,f=-1.1) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 142:sc= 1.06 (180deg=0.248) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 82:sc= 0.45 USER MOD Single : A 41 THR OG1 : rot -79:sc= -0.455! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot -152:sc= 0.481 USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= 0.511 (180deg=0.389) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 159:sc= -4.2! USER MOD Single : A 68 THR OG1 : rot 84:sc= 0.602 USER MOD Single : A 73 THR OG1 : rot 160:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -164:sc= 0.68 (180deg=0.425) USER MOD Single : A 77 SER OG : rot -13:sc= 0.339 USER MOD Single : A 79 TYR OH : rot -174:sc= 0.149 USER MOD Single : A 82 LYS NZ :NH3+ 147:sc= 0.73 (180deg=0.188) USER MOD Single : A 87 ASN : amide:sc= -0.92 K(o=-0.92,f=-6.7!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.005 USER MOD Single : A 106 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.57) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.675 K(o=-0.67,f=-2) USER MOD Single : A 110 SER OG : rot -93:sc= 1.14 USER MOD Single : A 116 THR OG1 : rot 156:sc= 0.959 USER MOD Single : A 118 LYS NZ :NH3+ -178:sc= -0.34 (180deg=-0.368) USER MOD Single : A 125 LYS NZ :NH3+ -171:sc= -0.0133 (180deg=-0.104) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -156:sc= 0 (180deg=-0.739) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 142 MET CE :methyl 140:sc= -0.482 (180deg=-2.41!) USER MOD Single : A 147 SER OG : rot 84:sc= 0.105 USER MOD Single : A 149 ASN : amide:sc= -0.0674 K(o=-0.067,f=-6.1!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 167:sc= 0.333 USER MOD Single : A 153 SER OG : rot 180:sc= 0.00438 USER MOD Single : A 154 LYS NZ :NH3+ -172:sc= 0.658 (180deg=0.62) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 161 CYS SG : rot -85:sc= 0.508 USER MOD Single : A 163 GLN : amide:sc= -1.81 K(o=-1.8,f=-3.8!) USER MOD Single : B 221 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N ASN A 3 -8.235 -1.783 16.051 1.00 23.34 N ATOM 37 CA ASN A 3 -7.268 -1.397 15.028 1.00 72.34 C ATOM 38 C ASN A 3 -5.831 -1.646 15.537 1.00 60.40 C ATOM 39 O ASN A 3 -5.371 -0.921 16.432 1.00 5.21 O ATOM 40 CB ASN A 3 -7.477 0.092 14.628 1.00 55.52 C ATOM 41 CG ASN A 3 -8.892 0.422 14.120 1.00 54.05 C ATOM 42 OD1 ASN A 3 -9.373 1.539 14.288 1.00 22.10 O ATOM 43 ND2 ASN A 3 -9.568 -0.531 13.485 1.00 61.30 N ATOM 0 HA ASN A 3 -7.422 -2.008 14.139 1.00 72.34 H new ATOM 0 HB2 ASN A 3 -7.258 0.721 15.491 1.00 55.52 H new ATOM 0 HB3 ASN A 3 -6.756 0.352 13.853 1.00 55.52 H new ATOM 0 HD21 ASN A 3 -10.504 -0.340 13.127 1.00 61.30 H new ATOM 0 HD22 ASN A 3 -9.151 -1.453 13.356 1.00 61.30 H new ATOM 50 N PRO A 4 -5.109 -2.687 15.012 1.00 13.24 N ATOM 51 CA PRO A 4 -3.694 -2.912 15.344 1.00 3.54 C ATOM 52 C PRO A 4 -2.779 -1.990 14.513 1.00 1.32 C ATOM 53 O PRO A 4 -3.127 -1.608 13.390 1.00 65.01 O ATOM 54 CB PRO A 4 -3.455 -4.416 15.002 1.00 64.33 C ATOM 55 CG PRO A 4 -4.692 -4.907 14.275 1.00 64.24 C ATOM 56 CD PRO A 4 -5.603 -3.709 14.054 1.00 64.25 C ATOM 0 HA PRO A 4 -3.466 -2.687 16.386 1.00 3.54 H new ATOM 0 HB2 PRO A 4 -2.569 -4.534 14.378 1.00 64.33 H new ATOM 0 HB3 PRO A 4 -3.285 -4.996 15.909 1.00 64.33 H new ATOM 0 HG2 PRO A 4 -4.421 -5.362 13.323 1.00 64.24 H new ATOM 0 HG3 PRO A 4 -5.201 -5.672 14.860 1.00 64.24 H new ATOM 0 HD2 PRO A 4 -5.546 -3.351 13.026 1.00 64.25 H new ATOM 0 HD3 PRO A 4 -6.646 -3.962 14.246 1.00 64.25 H new ATOM 64 N THR A 5 -1.606 -1.670 15.061 1.00 71.40 N ATOM 65 CA THR A 5 -0.613 -0.829 14.390 1.00 63.34 C ATOM 66 C THR A 5 0.434 -1.724 13.682 1.00 20.34 C ATOM 67 O THR A 5 0.780 -2.796 14.170 1.00 31.51 O ATOM 68 CB THR A 5 0.056 0.131 15.430 1.00 12.22 C ATOM 69 OG1 THR A 5 -0.943 0.996 15.992 1.00 44.20 O ATOM 70 CG2 THR A 5 1.207 0.972 14.833 1.00 74.01 C ATOM 0 H THR A 5 -1.317 -1.988 15.986 1.00 71.40 H new ATOM 0 HA THR A 5 -1.098 -0.214 13.631 1.00 63.34 H new ATOM 0 HB THR A 5 0.500 -0.495 16.204 1.00 12.22 H new ATOM 0 HG1 THR A 5 -0.877 0.980 16.970 1.00 44.20 H new ATOM 0 HG21 THR A 5 1.627 1.615 15.606 1.00 74.01 H new ATOM 0 HG22 THR A 5 1.983 0.308 14.453 1.00 74.01 H new ATOM 0 HG23 THR A 5 0.824 1.587 14.018 1.00 74.01 H new ATOM 78 N VAL A 6 0.882 -1.282 12.499 1.00 22.24 N ATOM 79 CA VAL A 6 1.912 -1.942 11.688 1.00 23.10 C ATOM 80 C VAL A 6 3.148 -1.059 11.725 1.00 53.14 C ATOM 81 O VAL A 6 3.021 0.163 11.795 1.00 54.10 O ATOM 82 CB VAL A 6 1.451 -2.142 10.195 1.00 54.35 C ATOM 83 CG1 VAL A 6 2.480 -2.975 9.395 1.00 42.50 C ATOM 84 CG2 VAL A 6 0.060 -2.790 10.126 1.00 74.33 C ATOM 0 H VAL A 6 0.526 -0.429 12.068 1.00 22.24 H new ATOM 0 HA VAL A 6 2.111 -2.934 12.095 1.00 23.10 H new ATOM 0 HB VAL A 6 1.389 -1.154 9.738 1.00 54.35 H new ATOM 0 HG11 VAL A 6 2.132 -3.095 8.369 1.00 42.50 H new ATOM 0 HG12 VAL A 6 3.442 -2.462 9.395 1.00 42.50 H new ATOM 0 HG13 VAL A 6 2.592 -3.956 9.857 1.00 42.50 H new ATOM 0 HG21 VAL A 6 -0.232 -2.915 9.083 1.00 74.33 H new ATOM 0 HG22 VAL A 6 0.088 -3.764 10.615 1.00 74.33 H new ATOM 0 HG23 VAL A 6 -0.664 -2.151 10.631 1.00 74.33 H new ATOM 94 N PHE A 7 4.331 -1.660 11.678 1.00 64.34 N ATOM 95 CA PHE A 7 5.588 -0.922 11.683 1.00 71.45 C ATOM 96 C PHE A 7 6.416 -1.348 10.476 1.00 42.14 C ATOM 97 O PHE A 7 6.650 -2.546 10.270 1.00 0.13 O ATOM 98 CB PHE A 7 6.357 -1.190 12.994 1.00 35.31 C ATOM 99 CG PHE A 7 7.623 -0.353 13.140 1.00 62.21 C ATOM 100 CD1 PHE A 7 7.556 0.916 13.682 1.00 54.42 C ATOM 101 CD2 PHE A 7 8.856 -0.823 12.703 1.00 32.54 C ATOM 102 CE1 PHE A 7 8.684 1.700 13.791 1.00 74.31 C ATOM 103 CE2 PHE A 7 9.988 -0.047 12.812 1.00 44.24 C ATOM 104 CZ PHE A 7 9.903 1.219 13.359 1.00 73.25 C ATOM 0 H PHE A 7 4.446 -2.673 11.635 1.00 64.34 H new ATOM 0 HA PHE A 7 5.388 0.148 11.622 1.00 71.45 H new ATOM 0 HB2 PHE A 7 5.699 -0.989 13.839 1.00 35.31 H new ATOM 0 HB3 PHE A 7 6.622 -2.246 13.041 1.00 35.31 H new ATOM 0 HD1 PHE A 7 6.606 1.299 14.025 1.00 54.42 H new ATOM 0 HD2 PHE A 7 8.927 -1.811 12.272 1.00 32.54 H new ATOM 0 HE1 PHE A 7 8.614 2.691 14.215 1.00 74.31 H new ATOM 0 HE2 PHE A 7 10.940 -0.427 12.471 1.00 44.24 H new ATOM 0 HZ PHE A 7 10.789 1.831 13.448 1.00 73.25 H new ATOM 114 N PHE A 8 6.837 -0.354 9.684 1.00 64.33 N ATOM 115 CA PHE A 8 7.826 -0.520 8.609 1.00 24.30 C ATOM 116 C PHE A 8 8.855 0.616 8.673 1.00 13.25 C ATOM 117 O PHE A 8 8.649 1.639 9.339 1.00 73.54 O ATOM 118 CB PHE A 8 7.180 -0.522 7.198 1.00 54.32 C ATOM 119 CG PHE A 8 6.252 -1.690 6.900 1.00 10.30 C ATOM 120 CD1 PHE A 8 6.664 -3.005 7.068 1.00 43.54 C ATOM 121 CD2 PHE A 8 4.981 -1.466 6.410 1.00 62.04 C ATOM 122 CE1 PHE A 8 5.820 -4.050 6.756 1.00 64.03 C ATOM 123 CE2 PHE A 8 4.139 -2.497 6.102 1.00 44.14 C ATOM 124 CZ PHE A 8 4.555 -3.791 6.275 1.00 14.45 C ATOM 0 H PHE A 8 6.496 0.603 9.773 1.00 64.33 H new ATOM 0 HA PHE A 8 8.301 -1.489 8.764 1.00 24.30 H new ATOM 0 HB2 PHE A 8 6.620 0.405 7.074 1.00 54.32 H new ATOM 0 HB3 PHE A 8 7.976 -0.515 6.454 1.00 54.32 H new ATOM 0 HD1 PHE A 8 7.654 -3.211 7.446 1.00 43.54 H new ATOM 0 HD2 PHE A 8 4.644 -0.450 6.266 1.00 62.04 H new ATOM 0 HE1 PHE A 8 6.150 -5.070 6.888 1.00 64.03 H new ATOM 0 HE2 PHE A 8 3.148 -2.293 5.723 1.00 44.14 H new ATOM 0 HZ PHE A 8 3.891 -4.608 6.034 1.00 14.45 H new ATOM 134 N ASP A 9 9.952 0.403 7.958 1.00 54.45 N ATOM 135 CA ASP A 9 10.991 1.401 7.707 1.00 22.43 C ATOM 136 C ASP A 9 11.050 1.625 6.202 1.00 73.54 C ATOM 137 O ASP A 9 11.300 0.685 5.452 1.00 14.34 O ATOM 138 CB ASP A 9 12.360 0.915 8.247 1.00 75.12 C ATOM 139 CG ASP A 9 12.382 0.870 9.778 1.00 70.20 C ATOM 140 OD1 ASP A 9 12.471 1.959 10.399 1.00 72.42 O ATOM 141 OD2 ASP A 9 12.286 -0.230 10.366 1.00 24.22 O ATOM 0 H ASP A 9 10.152 -0.497 7.522 1.00 54.45 H new ATOM 0 HA ASP A 9 10.759 2.333 8.221 1.00 22.43 H new ATOM 0 HB2 ASP A 9 12.576 -0.077 7.851 1.00 75.12 H new ATOM 0 HB3 ASP A 9 13.148 1.579 7.891 1.00 75.12 H new ATOM 146 N ILE A 10 10.754 2.851 5.763 1.00 63.14 N ATOM 147 CA ILE A 10 10.798 3.231 4.338 1.00 54.15 C ATOM 148 C ILE A 10 12.212 3.750 4.009 1.00 42.11 C ATOM 149 O ILE A 10 12.772 4.529 4.787 1.00 23.21 O ATOM 150 CB ILE A 10 9.706 4.324 4.022 1.00 65.42 C ATOM 151 CG1 ILE A 10 8.284 3.821 4.459 1.00 71.31 C ATOM 152 CG2 ILE A 10 9.729 4.752 2.532 1.00 33.10 C ATOM 153 CD1 ILE A 10 7.857 2.492 3.866 1.00 44.41 C ATOM 0 H ILE A 10 10.476 3.613 6.382 1.00 63.14 H new ATOM 0 HA ILE A 10 10.579 2.362 3.717 1.00 54.15 H new ATOM 0 HB ILE A 10 9.945 5.214 4.604 1.00 65.42 H new ATOM 0 HG12 ILE A 10 8.264 3.739 5.546 1.00 71.31 H new ATOM 0 HG13 ILE A 10 7.549 4.577 4.183 1.00 71.31 H new ATOM 0 HG21 ILE A 10 8.961 5.506 2.358 1.00 33.10 H new ATOM 0 HG22 ILE A 10 10.707 5.167 2.288 1.00 33.10 H new ATOM 0 HG23 ILE A 10 9.535 3.884 1.901 1.00 33.10 H new ATOM 0 HD11 ILE A 10 6.862 2.234 4.230 1.00 44.41 H new ATOM 0 HD12 ILE A 10 7.838 2.568 2.779 1.00 44.41 H new ATOM 0 HD13 ILE A 10 8.564 1.717 4.163 1.00 44.41 H new ATOM 165 N ALA A 11 12.780 3.325 2.859 1.00 12.44 N ATOM 166 CA ALA A 11 14.195 3.571 2.510 1.00 65.24 C ATOM 167 C ALA A 11 14.348 4.028 1.053 1.00 14.54 C ATOM 168 O ALA A 11 13.965 3.308 0.142 1.00 61.34 O ATOM 169 CB ALA A 11 15.003 2.288 2.749 1.00 44.14 C ATOM 0 H ALA A 11 12.270 2.802 2.147 1.00 12.44 H new ATOM 0 HA ALA A 11 14.572 4.373 3.145 1.00 65.24 H new ATOM 0 HB1 ALA A 11 16.048 2.463 2.493 1.00 44.14 H new ATOM 0 HB2 ALA A 11 14.929 2.002 3.798 1.00 44.14 H new ATOM 0 HB3 ALA A 11 14.606 1.487 2.126 1.00 44.14 H new ATOM 175 N VAL A 12 14.946 5.211 0.856 1.00 62.33 N ATOM 176 CA VAL A 12 15.239 5.779 -0.470 1.00 13.22 C ATOM 177 C VAL A 12 16.696 5.440 -0.850 1.00 32.20 C ATOM 178 O VAL A 12 17.621 5.775 -0.106 1.00 5.44 O ATOM 179 CB VAL A 12 14.999 7.333 -0.451 1.00 53.11 C ATOM 180 CG1 VAL A 12 15.496 8.011 -1.744 1.00 71.02 C ATOM 181 CG2 VAL A 12 13.504 7.642 -0.218 1.00 13.32 C ATOM 0 H VAL A 12 15.245 5.811 1.625 1.00 62.33 H new ATOM 0 HA VAL A 12 14.574 5.349 -1.219 1.00 13.22 H new ATOM 0 HB VAL A 12 15.581 7.744 0.374 1.00 53.11 H new ATOM 0 HG11 VAL A 12 15.310 9.084 -1.687 1.00 71.02 H new ATOM 0 HG12 VAL A 12 16.565 7.834 -1.860 1.00 71.02 H new ATOM 0 HG13 VAL A 12 14.964 7.596 -2.600 1.00 71.02 H new ATOM 0 HG21 VAL A 12 13.353 8.721 -0.207 1.00 13.32 H new ATOM 0 HG22 VAL A 12 12.912 7.201 -1.020 1.00 13.32 H new ATOM 0 HG23 VAL A 12 13.190 7.222 0.738 1.00 13.32 H new ATOM 191 N ASP A 13 16.859 4.763 -2.016 1.00 72.43 N ATOM 192 CA ASP A 13 18.147 4.199 -2.513 1.00 44.50 C ATOM 193 C ASP A 13 18.661 3.094 -1.571 1.00 55.43 C ATOM 194 O ASP A 13 19.864 2.788 -1.543 1.00 74.12 O ATOM 195 CB ASP A 13 19.243 5.297 -2.713 1.00 31.32 C ATOM 196 CG ASP A 13 18.816 6.415 -3.674 1.00 31.02 C ATOM 197 OD1 ASP A 13 18.619 6.138 -4.882 1.00 24.22 O ATOM 198 OD2 ASP A 13 18.675 7.575 -3.231 1.00 64.13 O ATOM 0 H ASP A 13 16.082 4.589 -2.653 1.00 72.43 H new ATOM 0 HA ASP A 13 17.943 3.765 -3.492 1.00 44.50 H new ATOM 0 HB2 ASP A 13 19.490 5.734 -1.745 1.00 31.32 H new ATOM 0 HB3 ASP A 13 20.151 4.829 -3.092 1.00 31.32 H new ATOM 203 N GLY A 14 17.734 2.486 -0.799 1.00 73.21 N ATOM 204 CA GLY A 14 18.092 1.524 0.248 1.00 62.11 C ATOM 205 C GLY A 14 18.484 2.192 1.567 1.00 10.13 C ATOM 206 O GLY A 14 18.560 1.512 2.596 1.00 32.12 O ATOM 0 H GLY A 14 16.731 2.650 -0.887 1.00 73.21 H new ATOM 0 HA2 GLY A 14 17.249 0.855 0.423 1.00 62.11 H new ATOM 0 HA3 GLY A 14 18.921 0.908 -0.101 1.00 62.11 H new ATOM 210 N GLU A 15 18.723 3.524 1.545 1.00 51.43 N ATOM 211 CA GLU A 15 19.064 4.309 2.742 1.00 22.22 C ATOM 212 C GLU A 15 17.778 4.709 3.494 1.00 3.34 C ATOM 213 O GLU A 15 16.947 5.422 2.914 1.00 20.05 O ATOM 214 CB GLU A 15 19.865 5.580 2.345 1.00 4.31 C ATOM 215 CG GLU A 15 21.180 5.290 1.599 1.00 45.31 C ATOM 216 CD GLU A 15 22.165 4.417 2.404 1.00 35.21 C ATOM 217 OE1 GLU A 15 22.761 4.919 3.380 1.00 3.00 O ATOM 218 OE2 GLU A 15 22.336 3.221 2.075 1.00 63.13 O ATOM 0 H GLU A 15 18.683 4.081 0.691 1.00 51.43 H new ATOM 0 HA GLU A 15 19.684 3.696 3.397 1.00 22.22 H new ATOM 0 HB2 GLU A 15 19.236 6.211 1.717 1.00 4.31 H new ATOM 0 HB3 GLU A 15 20.090 6.150 3.246 1.00 4.31 H new ATOM 0 HG2 GLU A 15 20.952 4.792 0.657 1.00 45.31 H new ATOM 0 HG3 GLU A 15 21.664 6.235 1.351 1.00 45.31 H new ATOM 225 N PRO A 16 17.589 4.236 4.775 1.00 61.03 N ATOM 226 CA PRO A 16 16.387 4.535 5.608 1.00 13.44 C ATOM 227 C PRO A 16 15.983 6.032 5.613 1.00 25.31 C ATOM 228 O PRO A 16 16.663 6.864 6.221 1.00 13.11 O ATOM 229 CB PRO A 16 16.821 4.055 7.018 1.00 35.24 C ATOM 230 CG PRO A 16 17.774 2.932 6.750 1.00 21.23 C ATOM 231 CD PRO A 16 18.540 3.344 5.507 1.00 14.35 C ATOM 0 HA PRO A 16 15.494 4.041 5.225 1.00 13.44 H new ATOM 0 HB2 PRO A 16 17.299 4.856 7.581 1.00 35.24 H new ATOM 0 HB3 PRO A 16 15.966 3.719 7.605 1.00 35.24 H new ATOM 0 HG2 PRO A 16 18.447 2.778 7.593 1.00 21.23 H new ATOM 0 HG3 PRO A 16 17.242 1.994 6.591 1.00 21.23 H new ATOM 0 HD2 PRO A 16 19.462 3.867 5.761 1.00 14.35 H new ATOM 0 HD3 PRO A 16 18.819 2.479 4.905 1.00 14.35 H new ATOM 239 N LEU A 17 14.880 6.350 4.898 1.00 32.24 N ATOM 240 CA LEU A 17 14.334 7.722 4.797 1.00 63.13 C ATOM 241 C LEU A 17 13.598 8.083 6.098 1.00 5.14 C ATOM 242 O LEU A 17 13.723 9.209 6.594 1.00 3.43 O ATOM 243 CB LEU A 17 13.349 7.843 3.590 1.00 14.51 C ATOM 244 CG LEU A 17 12.700 9.261 3.356 1.00 44.21 C ATOM 245 CD1 LEU A 17 13.743 10.293 2.871 1.00 71.11 C ATOM 246 CD2 LEU A 17 11.495 9.178 2.389 1.00 43.42 C ATOM 0 H LEU A 17 14.342 5.660 4.373 1.00 32.24 H new ATOM 0 HA LEU A 17 15.163 8.411 4.638 1.00 63.13 H new ATOM 0 HB2 LEU A 17 13.882 7.557 2.683 1.00 14.51 H new ATOM 0 HB3 LEU A 17 12.547 7.119 3.729 1.00 14.51 H new ATOM 0 HG LEU A 17 12.325 9.608 4.319 1.00 44.21 H new ATOM 0 HD11 LEU A 17 13.258 11.258 2.721 1.00 71.11 H new ATOM 0 HD12 LEU A 17 14.529 10.395 3.619 1.00 71.11 H new ATOM 0 HD13 LEU A 17 14.179 9.956 1.930 1.00 71.11 H new ATOM 0 HD21 LEU A 17 11.071 10.173 2.250 1.00 43.42 H new ATOM 0 HD22 LEU A 17 11.827 8.787 1.427 1.00 43.42 H new ATOM 0 HD23 LEU A 17 10.737 8.516 2.808 1.00 43.42 H new ATOM 258 N GLY A 18 12.842 7.114 6.644 1.00 1.14 N ATOM 259 CA GLY A 18 12.118 7.314 7.898 1.00 2.04 C ATOM 260 C GLY A 18 11.335 6.089 8.331 1.00 24.11 C ATOM 261 O GLY A 18 11.203 5.121 7.571 1.00 10.41 O ATOM 0 H GLY A 18 12.721 6.189 6.232 1.00 1.14 H new ATOM 0 HA2 GLY A 18 12.827 7.581 8.682 1.00 2.04 H new ATOM 0 HA3 GLY A 18 11.434 8.155 7.786 1.00 2.04 H new ATOM 265 N ARG A 19 10.785 6.156 9.549 1.00 71.41 N ATOM 266 CA ARG A 19 10.023 5.061 10.174 1.00 13.50 C ATOM 267 C ARG A 19 8.532 5.431 10.139 1.00 33.34 C ATOM 268 O ARG A 19 8.131 6.516 10.587 1.00 51.33 O ATOM 269 CB ARG A 19 10.522 4.811 11.636 1.00 74.04 C ATOM 270 CG ARG A 19 10.582 6.080 12.526 1.00 32.30 C ATOM 271 CD ARG A 19 11.076 5.805 13.956 1.00 2.44 C ATOM 272 NE ARG A 19 10.104 5.028 14.748 1.00 64.41 N ATOM 273 CZ ARG A 19 10.417 4.172 15.733 1.00 35.03 C ATOM 274 NH1 ARG A 19 11.687 3.926 16.051 1.00 22.25 N ATOM 275 NH2 ARG A 19 9.447 3.563 16.396 1.00 21.00 N ATOM 0 H ARG A 19 10.856 6.984 10.140 1.00 71.41 H new ATOM 0 HA ARG A 19 10.174 4.132 9.625 1.00 13.50 H new ATOM 0 HB2 ARG A 19 9.865 4.082 12.110 1.00 74.04 H new ATOM 0 HB3 ARG A 19 11.516 4.365 11.595 1.00 74.04 H new ATOM 0 HG2 ARG A 19 11.240 6.812 12.057 1.00 32.30 H new ATOM 0 HG3 ARG A 19 9.589 6.528 12.573 1.00 32.30 H new ATOM 0 HD2 ARG A 19 12.021 5.263 13.913 1.00 2.44 H new ATOM 0 HD3 ARG A 19 11.274 6.752 14.457 1.00 2.44 H new ATOM 0 HE ARG A 19 9.115 5.151 14.530 1.00 64.41 H new ATOM 0 HH11 ARG A 19 12.439 4.391 15.543 1.00 22.25 H new ATOM 0 HH12 ARG A 19 11.907 3.272 16.803 1.00 22.25 H new ATOM 0 HH21 ARG A 19 8.473 3.746 16.157 1.00 21.00 H new ATOM 0 HH22 ARG A 19 9.674 2.910 17.146 1.00 21.00 H new ATOM 289 N VAL A 20 7.721 4.542 9.551 1.00 72.14 N ATOM 290 CA VAL A 20 6.288 4.768 9.332 1.00 72.25 C ATOM 291 C VAL A 20 5.487 3.675 10.043 1.00 33.41 C ATOM 292 O VAL A 20 5.858 2.496 10.007 1.00 30.15 O ATOM 293 CB VAL A 20 5.936 4.780 7.796 1.00 61.44 C ATOM 294 CG1 VAL A 20 4.439 5.074 7.553 1.00 35.21 C ATOM 295 CG2 VAL A 20 6.810 5.794 7.031 1.00 74.25 C ATOM 0 H VAL A 20 8.045 3.637 9.211 1.00 72.14 H new ATOM 0 HA VAL A 20 6.027 5.744 9.741 1.00 72.25 H new ATOM 0 HB VAL A 20 6.148 3.781 7.414 1.00 61.44 H new ATOM 0 HG11 VAL A 20 4.237 5.074 6.482 1.00 35.21 H new ATOM 0 HG12 VAL A 20 3.834 4.307 8.036 1.00 35.21 H new ATOM 0 HG13 VAL A 20 4.188 6.050 7.969 1.00 35.21 H new ATOM 0 HG21 VAL A 20 6.544 5.779 5.974 1.00 74.25 H new ATOM 0 HG22 VAL A 20 6.644 6.793 7.433 1.00 74.25 H new ATOM 0 HG23 VAL A 20 7.861 5.527 7.144 1.00 74.25 H new ATOM 305 N SER A 21 4.392 4.083 10.692 1.00 52.43 N ATOM 306 CA SER A 21 3.466 3.178 11.368 1.00 25.40 C ATOM 307 C SER A 21 2.050 3.340 10.763 1.00 73.42 C ATOM 308 O SER A 21 1.504 4.459 10.677 1.00 31.41 O ATOM 309 CB SER A 21 3.470 3.461 12.886 1.00 50.32 C ATOM 310 OG SER A 21 4.770 3.273 13.425 1.00 53.42 O ATOM 0 H SER A 21 4.123 5.064 10.762 1.00 52.43 H new ATOM 0 HA SER A 21 3.782 2.145 11.221 1.00 25.40 H new ATOM 0 HB2 SER A 21 3.137 4.482 13.072 1.00 50.32 H new ATOM 0 HB3 SER A 21 2.763 2.799 13.387 1.00 50.32 H new ATOM 0 HG SER A 21 4.755 3.458 14.387 1.00 53.42 H new ATOM 316 N PHE A 22 1.479 2.217 10.313 1.00 50.14 N ATOM 317 CA PHE A 22 0.125 2.160 9.734 1.00 13.50 C ATOM 318 C PHE A 22 -0.859 1.630 10.790 1.00 21.24 C ATOM 319 O PHE A 22 -0.446 1.212 11.868 1.00 3.21 O ATOM 320 CB PHE A 22 0.134 1.264 8.472 1.00 41.43 C ATOM 321 CG PHE A 22 1.138 1.719 7.409 1.00 63.23 C ATOM 322 CD1 PHE A 22 0.980 2.941 6.765 1.00 43.44 C ATOM 323 CD2 PHE A 22 2.229 0.931 7.048 1.00 1.24 C ATOM 324 CE1 PHE A 22 1.876 3.355 5.796 1.00 72.21 C ATOM 325 CE2 PHE A 22 3.118 1.359 6.078 1.00 21.45 C ATOM 326 CZ PHE A 22 2.941 2.565 5.455 1.00 0.11 C ATOM 0 H PHE A 22 1.946 1.311 10.339 1.00 50.14 H new ATOM 0 HA PHE A 22 -0.196 3.158 9.436 1.00 13.50 H new ATOM 0 HB2 PHE A 22 0.365 0.240 8.765 1.00 41.43 H new ATOM 0 HB3 PHE A 22 -0.865 1.253 8.036 1.00 41.43 H new ATOM 0 HD1 PHE A 22 0.146 3.576 7.025 1.00 43.44 H new ATOM 0 HD2 PHE A 22 2.382 -0.023 7.530 1.00 1.24 H new ATOM 0 HE1 PHE A 22 1.735 4.307 5.306 1.00 72.21 H new ATOM 0 HE2 PHE A 22 3.959 0.736 5.810 1.00 21.45 H new ATOM 0 HZ PHE A 22 3.638 2.892 4.698 1.00 0.11 H new ATOM 336 N GLU A 23 -2.159 1.710 10.498 1.00 74.02 N ATOM 337 CA GLU A 23 -3.219 1.254 11.412 1.00 25.51 C ATOM 338 C GLU A 23 -4.309 0.511 10.612 1.00 1.50 C ATOM 339 O GLU A 23 -5.007 1.124 9.798 1.00 61.10 O ATOM 340 CB GLU A 23 -3.789 2.471 12.182 1.00 62.35 C ATOM 341 CG GLU A 23 -4.748 2.106 13.327 1.00 22.30 C ATOM 342 CD GLU A 23 -5.120 3.315 14.197 1.00 71.03 C ATOM 343 OE1 GLU A 23 -6.024 4.082 13.806 1.00 14.34 O ATOM 344 OE2 GLU A 23 -4.500 3.515 15.268 1.00 42.41 O ATOM 0 H GLU A 23 -2.511 2.093 9.621 1.00 74.02 H new ATOM 0 HA GLU A 23 -2.815 0.554 12.144 1.00 25.51 H new ATOM 0 HB2 GLU A 23 -2.959 3.049 12.590 1.00 62.35 H new ATOM 0 HB3 GLU A 23 -4.313 3.118 11.478 1.00 62.35 H new ATOM 0 HG2 GLU A 23 -5.656 1.671 12.910 1.00 22.30 H new ATOM 0 HG3 GLU A 23 -4.286 1.342 13.952 1.00 22.30 H new ATOM 351 N LEU A 24 -4.427 -0.814 10.836 1.00 4.51 N ATOM 352 CA LEU A 24 -5.370 -1.688 10.107 1.00 51.11 C ATOM 353 C LEU A 24 -6.765 -1.639 10.747 1.00 64.13 C ATOM 354 O LEU A 24 -6.888 -1.704 11.963 1.00 44.44 O ATOM 355 CB LEU A 24 -4.852 -3.157 10.108 1.00 14.21 C ATOM 356 CG LEU A 24 -3.405 -3.373 9.577 1.00 53.30 C ATOM 357 CD1 LEU A 24 -3.007 -4.864 9.606 1.00 65.10 C ATOM 358 CD2 LEU A 24 -3.220 -2.765 8.173 1.00 14.22 C ATOM 0 H LEU A 24 -3.869 -1.310 11.531 1.00 4.51 H new ATOM 0 HA LEU A 24 -5.440 -1.328 9.081 1.00 51.11 H new ATOM 0 HB2 LEU A 24 -4.904 -3.538 11.128 1.00 14.21 H new ATOM 0 HB3 LEU A 24 -5.532 -3.761 9.507 1.00 14.21 H new ATOM 0 HG LEU A 24 -2.731 -2.844 10.250 1.00 53.30 H new ATOM 0 HD11 LEU A 24 -1.991 -4.977 9.228 1.00 65.10 H new ATOM 0 HD12 LEU A 24 -3.057 -5.234 10.630 1.00 65.10 H new ATOM 0 HD13 LEU A 24 -3.692 -5.436 8.980 1.00 65.10 H new ATOM 0 HD21 LEU A 24 -2.198 -2.935 7.835 1.00 14.22 H new ATOM 0 HD22 LEU A 24 -3.915 -3.236 7.478 1.00 14.22 H new ATOM 0 HD23 LEU A 24 -3.416 -1.693 8.212 1.00 14.22 H new ATOM 370 N PHE A 25 -7.812 -1.550 9.920 1.00 34.21 N ATOM 371 CA PHE A 25 -9.209 -1.583 10.389 1.00 65.53 C ATOM 372 C PHE A 25 -9.679 -3.050 10.519 1.00 12.13 C ATOM 373 O PHE A 25 -10.596 -3.491 9.822 1.00 51.15 O ATOM 374 CB PHE A 25 -10.129 -0.789 9.428 1.00 35.44 C ATOM 375 CG PHE A 25 -9.803 0.702 9.262 1.00 23.24 C ATOM 376 CD1 PHE A 25 -8.694 1.122 8.521 1.00 33.22 C ATOM 377 CD2 PHE A 25 -10.626 1.683 9.817 1.00 71.35 C ATOM 378 CE1 PHE A 25 -8.418 2.466 8.349 1.00 45.11 C ATOM 379 CE2 PHE A 25 -10.352 3.028 9.638 1.00 64.22 C ATOM 380 CZ PHE A 25 -9.248 3.418 8.906 1.00 73.35 C ATOM 0 H PHE A 25 -7.720 -1.453 8.909 1.00 34.21 H new ATOM 0 HA PHE A 25 -9.266 -1.108 11.369 1.00 65.53 H new ATOM 0 HB2 PHE A 25 -10.089 -1.261 8.446 1.00 35.44 H new ATOM 0 HB3 PHE A 25 -11.156 -0.879 9.783 1.00 35.44 H new ATOM 0 HD1 PHE A 25 -8.042 0.385 8.076 1.00 33.22 H new ATOM 0 HD2 PHE A 25 -11.490 1.388 10.395 1.00 71.35 H new ATOM 0 HE1 PHE A 25 -7.553 2.771 7.779 1.00 45.11 H new ATOM 0 HE2 PHE A 25 -11.002 3.773 10.071 1.00 64.22 H new ATOM 0 HZ PHE A 25 -9.034 4.468 8.769 1.00 73.35 H new ATOM 390 N ALA A 26 -9.042 -3.800 11.440 1.00 24.42 N ATOM 391 CA ALA A 26 -9.297 -5.252 11.629 1.00 52.44 C ATOM 392 C ALA A 26 -10.656 -5.547 12.306 1.00 55.40 C ATOM 393 O ALA A 26 -10.991 -6.711 12.557 1.00 2.25 O ATOM 394 CB ALA A 26 -8.142 -5.892 12.418 1.00 4.13 C ATOM 0 H ALA A 26 -8.338 -3.423 12.074 1.00 24.42 H new ATOM 0 HA ALA A 26 -9.350 -5.698 10.636 1.00 52.44 H new ATOM 0 HB1 ALA A 26 -8.338 -6.956 12.551 1.00 4.13 H new ATOM 0 HB2 ALA A 26 -7.210 -5.761 11.869 1.00 4.13 H new ATOM 0 HB3 ALA A 26 -8.059 -5.413 13.394 1.00 4.13 H new ATOM 400 N ASP A 27 -11.423 -4.491 12.610 1.00 24.24 N ATOM 401 CA ASP A 27 -12.788 -4.605 13.146 1.00 51.13 C ATOM 402 C ASP A 27 -13.828 -4.712 12.004 1.00 1.23 C ATOM 403 O ASP A 27 -14.919 -5.255 12.202 1.00 13.33 O ATOM 404 CB ASP A 27 -13.098 -3.385 14.060 1.00 52.24 C ATOM 405 CG ASP A 27 -13.148 -2.031 13.322 1.00 2.32 C ATOM 406 OD1 ASP A 27 -12.133 -1.648 12.693 1.00 10.11 O ATOM 407 OD2 ASP A 27 -14.186 -1.332 13.392 1.00 64.13 O ATOM 0 H ASP A 27 -11.112 -3.527 12.490 1.00 24.24 H new ATOM 0 HA ASP A 27 -12.854 -5.518 13.738 1.00 51.13 H new ATOM 0 HB2 ASP A 27 -14.055 -3.551 14.554 1.00 52.24 H new ATOM 0 HB3 ASP A 27 -12.341 -3.331 14.842 1.00 52.24 H new ATOM 412 N LYS A 28 -13.474 -4.198 10.805 1.00 2.04 N ATOM 413 CA LYS A 28 -14.383 -4.148 9.627 1.00 62.34 C ATOM 414 C LYS A 28 -13.874 -5.053 8.497 1.00 13.43 C ATOM 415 O LYS A 28 -14.668 -5.650 7.759 1.00 20.24 O ATOM 416 CB LYS A 28 -14.521 -2.683 9.133 1.00 41.24 C ATOM 417 CG LYS A 28 -15.150 -1.749 10.184 1.00 54.32 C ATOM 418 CD LYS A 28 -15.189 -0.267 9.757 1.00 3.34 C ATOM 419 CE LYS A 28 -15.784 0.629 10.851 1.00 70.21 C ATOM 420 NZ LYS A 28 -15.886 2.043 10.419 1.00 52.05 N ATOM 0 H LYS A 28 -12.551 -3.805 10.622 1.00 2.04 H new ATOM 0 HA LYS A 28 -15.363 -4.516 9.930 1.00 62.34 H new ATOM 0 HB2 LYS A 28 -13.536 -2.303 8.861 1.00 41.24 H new ATOM 0 HB3 LYS A 28 -15.130 -2.666 8.229 1.00 41.24 H new ATOM 0 HG2 LYS A 28 -16.166 -2.084 10.392 1.00 54.32 H new ATOM 0 HG3 LYS A 28 -14.589 -1.835 11.115 1.00 54.32 H new ATOM 0 HD2 LYS A 28 -14.179 0.070 9.522 1.00 3.34 H new ATOM 0 HD3 LYS A 28 -15.779 -0.167 8.846 1.00 3.34 H new ATOM 0 HE2 LYS A 28 -16.774 0.261 11.122 1.00 70.21 H new ATOM 0 HE3 LYS A 28 -15.165 0.568 11.746 1.00 70.21 H new ATOM 0 HZ1 LYS A 28 -16.293 2.613 11.188 1.00 52.05 H new ATOM 0 HZ2 LYS A 28 -14.939 2.404 10.185 1.00 52.05 H new ATOM 0 HZ3 LYS A 28 -16.498 2.107 9.580 1.00 52.05 H new ATOM 434 N VAL A 29 -12.540 -5.136 8.357 1.00 72.44 N ATOM 435 CA VAL A 29 -11.865 -6.032 7.392 1.00 21.40 C ATOM 436 C VAL A 29 -10.776 -6.873 8.112 1.00 64.01 C ATOM 437 O VAL A 29 -9.568 -6.661 7.910 1.00 60.11 O ATOM 438 CB VAL A 29 -11.260 -5.232 6.162 1.00 30.43 C ATOM 439 CG1 VAL A 29 -12.372 -4.767 5.208 1.00 14.43 C ATOM 440 CG2 VAL A 29 -10.406 -4.021 6.621 1.00 73.00 C ATOM 0 H VAL A 29 -11.891 -4.580 8.914 1.00 72.44 H new ATOM 0 HA VAL A 29 -12.614 -6.711 6.985 1.00 21.40 H new ATOM 0 HB VAL A 29 -10.603 -5.919 5.628 1.00 30.43 H new ATOM 0 HG11 VAL A 29 -11.931 -4.221 4.374 1.00 14.43 H new ATOM 0 HG12 VAL A 29 -12.913 -5.634 4.829 1.00 14.43 H new ATOM 0 HG13 VAL A 29 -13.062 -4.115 5.744 1.00 14.43 H new ATOM 0 HG21 VAL A 29 -10.011 -3.502 5.747 1.00 73.00 H new ATOM 0 HG22 VAL A 29 -11.026 -3.337 7.200 1.00 73.00 H new ATOM 0 HG23 VAL A 29 -9.579 -4.372 7.239 1.00 73.00 H new ATOM 450 N PRO A 30 -11.189 -7.871 8.972 1.00 73.54 N ATOM 451 CA PRO A 30 -10.233 -8.723 9.727 1.00 13.15 C ATOM 452 C PRO A 30 -9.416 -9.612 8.778 1.00 2.02 C ATOM 453 O PRO A 30 -8.243 -9.873 9.021 1.00 51.02 O ATOM 454 CB PRO A 30 -11.140 -9.577 10.668 1.00 42.31 C ATOM 455 CG PRO A 30 -12.498 -8.926 10.613 1.00 10.21 C ATOM 456 CD PRO A 30 -12.594 -8.285 9.248 1.00 31.41 C ATOM 0 HA PRO A 30 -9.500 -8.137 10.281 1.00 13.15 H new ATOM 0 HB2 PRO A 30 -11.187 -10.613 10.334 1.00 42.31 H new ATOM 0 HB3 PRO A 30 -10.750 -9.588 11.686 1.00 42.31 H new ATOM 0 HG2 PRO A 30 -13.290 -9.661 10.756 1.00 10.21 H new ATOM 0 HG3 PRO A 30 -12.607 -8.182 11.402 1.00 10.21 H new ATOM 0 HD2 PRO A 30 -12.963 -8.985 8.498 1.00 31.41 H new ATOM 0 HD3 PRO A 30 -13.273 -7.432 9.249 1.00 31.41 H new ATOM 464 N LYS A 31 -10.077 -10.031 7.687 1.00 24.44 N ATOM 465 CA LYS A 31 -9.514 -10.899 6.651 1.00 23.33 C ATOM 466 C LYS A 31 -8.337 -10.213 5.933 1.00 75.01 C ATOM 467 O LYS A 31 -7.217 -10.723 5.942 1.00 64.03 O ATOM 468 CB LYS A 31 -10.635 -11.260 5.641 1.00 3.20 C ATOM 469 CG LYS A 31 -10.197 -12.159 4.471 1.00 64.42 C ATOM 470 CD LYS A 31 -11.382 -12.564 3.574 1.00 14.54 C ATOM 471 CE LYS A 31 -10.981 -13.499 2.428 1.00 44.14 C ATOM 472 NZ LYS A 31 -12.160 -13.881 1.605 1.00 15.14 N ATOM 0 H LYS A 31 -11.044 -9.766 7.500 1.00 24.44 H new ATOM 0 HA LYS A 31 -9.127 -11.807 7.113 1.00 23.33 H new ATOM 0 HB2 LYS A 31 -11.441 -11.759 6.180 1.00 3.20 H new ATOM 0 HB3 LYS A 31 -11.047 -10.336 5.234 1.00 3.20 H new ATOM 0 HG2 LYS A 31 -9.452 -11.635 3.872 1.00 64.42 H new ATOM 0 HG3 LYS A 31 -9.717 -13.056 4.864 1.00 64.42 H new ATOM 0 HD2 LYS A 31 -12.141 -13.053 4.185 1.00 14.54 H new ATOM 0 HD3 LYS A 31 -11.838 -11.666 3.158 1.00 14.54 H new ATOM 0 HE2 LYS A 31 -10.239 -13.009 1.798 1.00 44.14 H new ATOM 0 HE3 LYS A 31 -10.512 -14.395 2.834 1.00 44.14 H new ATOM 0 HZ1 LYS A 31 -11.885 -13.921 0.603 1.00 15.14 H new ATOM 0 HZ2 LYS A 31 -12.506 -14.814 1.907 1.00 15.14 H new ATOM 0 HZ3 LYS A 31 -12.914 -13.175 1.729 1.00 15.14 H new ATOM 486 N THR A 32 -8.614 -9.028 5.359 1.00 14.24 N ATOM 487 CA THR A 32 -7.650 -8.274 4.538 1.00 32.54 C ATOM 488 C THR A 32 -6.485 -7.719 5.403 1.00 61.33 C ATOM 489 O THR A 32 -5.347 -7.591 4.926 1.00 31.22 O ATOM 490 CB THR A 32 -8.387 -7.113 3.779 1.00 43.04 C ATOM 491 OG1 THR A 32 -9.618 -7.616 3.219 1.00 21.42 O ATOM 492 CG2 THR A 32 -7.534 -6.512 2.641 1.00 24.43 C ATOM 0 H THR A 32 -9.518 -8.565 5.452 1.00 14.24 H new ATOM 0 HA THR A 32 -7.216 -8.954 3.805 1.00 32.54 H new ATOM 0 HB THR A 32 -8.578 -6.323 4.505 1.00 43.04 H new ATOM 0 HG1 THR A 32 -10.081 -6.894 2.746 1.00 21.42 H new ATOM 0 HG21 THR A 32 -8.092 -5.714 2.151 1.00 24.43 H new ATOM 0 HG22 THR A 32 -6.610 -6.108 3.054 1.00 24.43 H new ATOM 0 HG23 THR A 32 -7.297 -7.289 1.914 1.00 24.43 H new ATOM 500 N ALA A 33 -6.790 -7.420 6.685 1.00 14.30 N ATOM 501 CA ALA A 33 -5.793 -6.967 7.672 1.00 42.24 C ATOM 502 C ALA A 33 -4.854 -8.123 8.096 1.00 12.14 C ATOM 503 O ALA A 33 -3.643 -7.923 8.241 1.00 41.34 O ATOM 504 CB ALA A 33 -6.508 -6.370 8.895 1.00 45.03 C ATOM 0 H ALA A 33 -7.736 -7.487 7.062 1.00 14.30 H new ATOM 0 HA ALA A 33 -5.175 -6.198 7.210 1.00 42.24 H new ATOM 0 HB1 ALA A 33 -5.768 -6.036 9.622 1.00 45.03 H new ATOM 0 HB2 ALA A 33 -7.117 -5.522 8.582 1.00 45.03 H new ATOM 0 HB3 ALA A 33 -7.147 -7.128 9.349 1.00 45.03 H new ATOM 510 N GLU A 34 -5.437 -9.331 8.270 1.00 41.40 N ATOM 511 CA GLU A 34 -4.698 -10.539 8.706 1.00 4.13 C ATOM 512 C GLU A 34 -3.788 -11.048 7.564 1.00 75.13 C ATOM 513 O GLU A 34 -2.689 -11.572 7.806 1.00 63.51 O ATOM 514 CB GLU A 34 -5.700 -11.647 9.138 1.00 75.14 C ATOM 515 CG GLU A 34 -5.080 -12.824 9.918 1.00 25.30 C ATOM 516 CD GLU A 34 -4.427 -12.385 11.248 1.00 51.01 C ATOM 517 OE1 GLU A 34 -5.152 -12.183 12.248 1.00 31.13 O ATOM 518 OE2 GLU A 34 -3.193 -12.219 11.298 1.00 13.12 O ATOM 0 H GLU A 34 -6.431 -9.496 8.113 1.00 41.40 H new ATOM 0 HA GLU A 34 -4.071 -10.283 9.560 1.00 4.13 H new ATOM 0 HB2 GLU A 34 -6.476 -11.193 9.754 1.00 75.14 H new ATOM 0 HB3 GLU A 34 -6.189 -12.040 8.247 1.00 75.14 H new ATOM 0 HG2 GLU A 34 -5.853 -13.564 10.125 1.00 25.30 H new ATOM 0 HG3 GLU A 34 -4.331 -13.312 9.295 1.00 25.30 H new ATOM 525 N ASN A 35 -4.294 -10.872 6.322 1.00 21.32 N ATOM 526 CA ASN A 35 -3.559 -11.149 5.075 1.00 14.52 C ATOM 527 C ASN A 35 -2.274 -10.318 5.036 1.00 43.34 C ATOM 528 O ASN A 35 -1.182 -10.871 4.935 1.00 51.15 O ATOM 529 CB ASN A 35 -4.451 -10.810 3.845 1.00 40.34 C ATOM 530 CG ASN A 35 -3.766 -11.054 2.488 1.00 30.43 C ATOM 531 OD1 ASN A 35 -3.017 -12.014 2.311 1.00 64.22 O ATOM 532 ND2 ASN A 35 -4.002 -10.176 1.526 1.00 63.31 N ATOM 0 H ASN A 35 -5.240 -10.528 6.160 1.00 21.32 H new ATOM 0 HA ASN A 35 -3.300 -12.207 5.041 1.00 14.52 H new ATOM 0 HB2 ASN A 35 -5.361 -11.408 3.894 1.00 40.34 H new ATOM 0 HB3 ASN A 35 -4.753 -9.764 3.905 1.00 40.34 H new ATOM 0 HD21 ASN A 35 -3.559 -10.287 0.614 1.00 63.31 H new ATOM 0 HD22 ASN A 35 -4.627 -9.388 1.697 1.00 63.31 H new ATOM 539 N PHE A 36 -2.452 -8.987 5.194 1.00 21.21 N ATOM 540 CA PHE A 36 -1.366 -7.995 5.146 1.00 4.22 C ATOM 541 C PHE A 36 -0.299 -8.287 6.222 1.00 51.05 C ATOM 542 O PHE A 36 0.900 -8.202 5.932 1.00 1.11 O ATOM 543 CB PHE A 36 -1.958 -6.569 5.315 1.00 73.10 C ATOM 544 CG PHE A 36 -0.937 -5.435 5.195 1.00 52.43 C ATOM 545 CD1 PHE A 36 -0.356 -5.127 3.959 1.00 62.24 C ATOM 546 CD2 PHE A 36 -0.567 -4.669 6.307 1.00 15.23 C ATOM 547 CE1 PHE A 36 0.556 -4.092 3.842 1.00 63.24 C ATOM 548 CE2 PHE A 36 0.342 -3.638 6.183 1.00 14.01 C ATOM 549 CZ PHE A 36 0.904 -3.351 4.953 1.00 11.54 C ATOM 0 H PHE A 36 -3.368 -8.571 5.360 1.00 21.21 H new ATOM 0 HA PHE A 36 -0.872 -8.058 4.177 1.00 4.22 H new ATOM 0 HB2 PHE A 36 -2.735 -6.421 4.565 1.00 73.10 H new ATOM 0 HB3 PHE A 36 -2.440 -6.504 6.290 1.00 73.10 H new ATOM 0 HD1 PHE A 36 -0.623 -5.704 3.086 1.00 62.24 H new ATOM 0 HD2 PHE A 36 -0.998 -4.887 7.273 1.00 15.23 H new ATOM 0 HE1 PHE A 36 0.995 -3.865 2.882 1.00 63.24 H new ATOM 0 HE2 PHE A 36 0.615 -3.054 7.049 1.00 14.01 H new ATOM 0 HZ PHE A 36 1.617 -2.545 4.861 1.00 11.54 H new ATOM 559 N ARG A 37 -0.755 -8.652 7.448 1.00 32.43 N ATOM 560 CA ARG A 37 0.138 -9.054 8.553 1.00 35.41 C ATOM 561 C ARG A 37 1.042 -10.209 8.115 1.00 62.23 C ATOM 562 O ARG A 37 2.259 -10.074 8.132 1.00 52.11 O ATOM 563 CB ARG A 37 -0.659 -9.466 9.827 1.00 45.12 C ATOM 564 CG ARG A 37 0.213 -10.180 10.912 1.00 51.10 C ATOM 565 CD ARG A 37 -0.544 -10.488 12.207 1.00 63.11 C ATOM 566 NE ARG A 37 -0.911 -9.268 12.951 1.00 61.03 N ATOM 567 CZ ARG A 37 -2.113 -9.026 13.489 1.00 54.31 C ATOM 568 NH1 ARG A 37 -3.111 -9.907 13.376 1.00 34.33 N ATOM 569 NH2 ARG A 37 -2.298 -7.908 14.164 1.00 63.14 N ATOM 0 H ARG A 37 -1.745 -8.674 7.692 1.00 32.43 H new ATOM 0 HA ARG A 37 0.749 -8.187 8.805 1.00 35.41 H new ATOM 0 HB2 ARG A 37 -1.111 -8.576 10.265 1.00 45.12 H new ATOM 0 HB3 ARG A 37 -1.475 -10.128 9.536 1.00 45.12 H new ATOM 0 HG2 ARG A 37 0.601 -11.111 10.498 1.00 51.10 H new ATOM 0 HG3 ARG A 37 1.073 -9.552 11.145 1.00 51.10 H new ATOM 0 HD2 ARG A 37 -1.447 -11.051 11.971 1.00 63.11 H new ATOM 0 HD3 ARG A 37 0.072 -11.125 12.841 1.00 63.11 H new ATOM 0 HE ARG A 37 -0.193 -8.553 13.064 1.00 61.03 H new ATOM 0 HH11 ARG A 37 -2.964 -10.782 12.873 1.00 34.33 H new ATOM 0 HH12 ARG A 37 -4.020 -9.705 13.793 1.00 34.33 H new ATOM 0 HH21 ARG A 37 -1.532 -7.243 14.270 1.00 63.14 H new ATOM 0 HH22 ARG A 37 -3.208 -7.708 14.580 1.00 63.14 H new ATOM 583 N ALA A 38 0.414 -11.311 7.674 1.00 40.30 N ATOM 584 CA ALA A 38 1.111 -12.568 7.352 1.00 53.11 C ATOM 585 C ALA A 38 2.095 -12.402 6.175 1.00 42.42 C ATOM 586 O ALA A 38 3.154 -13.052 6.146 1.00 60.02 O ATOM 587 CB ALA A 38 0.079 -13.657 7.062 1.00 55.54 C ATOM 0 H ALA A 38 -0.595 -11.356 7.530 1.00 40.30 H new ATOM 0 HA ALA A 38 1.711 -12.860 8.214 1.00 53.11 H new ATOM 0 HB1 ALA A 38 0.591 -14.589 6.823 1.00 55.54 H new ATOM 0 HB2 ALA A 38 -0.551 -13.804 7.939 1.00 55.54 H new ATOM 0 HB3 ALA A 38 -0.540 -13.356 6.217 1.00 55.54 H new ATOM 593 N LEU A 39 1.726 -11.511 5.229 1.00 51.43 N ATOM 594 CA LEU A 39 2.562 -11.156 4.067 1.00 22.54 C ATOM 595 C LEU A 39 3.844 -10.438 4.510 1.00 11.20 C ATOM 596 O LEU A 39 4.927 -10.758 4.030 1.00 54.35 O ATOM 597 CB LEU A 39 1.768 -10.254 3.071 1.00 41.22 C ATOM 598 CG LEU A 39 0.580 -10.931 2.330 1.00 52.05 C ATOM 599 CD1 LEU A 39 -0.122 -9.954 1.364 1.00 50.01 C ATOM 600 CD2 LEU A 39 1.042 -12.205 1.609 1.00 70.53 C ATOM 0 H LEU A 39 0.834 -11.016 5.253 1.00 51.43 H new ATOM 0 HA LEU A 39 2.838 -12.082 3.563 1.00 22.54 H new ATOM 0 HB2 LEU A 39 1.384 -9.393 3.619 1.00 41.22 H new ATOM 0 HB3 LEU A 39 2.464 -9.872 2.325 1.00 41.22 H new ATOM 0 HG LEU A 39 -0.157 -11.220 3.079 1.00 52.05 H new ATOM 0 HD11 LEU A 39 -0.946 -10.464 0.866 1.00 50.01 H new ATOM 0 HD12 LEU A 39 -0.508 -9.103 1.925 1.00 50.01 H new ATOM 0 HD13 LEU A 39 0.592 -9.604 0.618 1.00 50.01 H new ATOM 0 HD21 LEU A 39 0.194 -12.661 1.098 1.00 70.53 H new ATOM 0 HD22 LEU A 39 1.812 -11.952 0.880 1.00 70.53 H new ATOM 0 HD23 LEU A 39 1.448 -12.908 2.336 1.00 70.53 H new ATOM 612 N SER A 40 3.693 -9.479 5.435 1.00 31.12 N ATOM 613 CA SER A 40 4.793 -8.606 5.887 1.00 11.10 C ATOM 614 C SER A 40 5.750 -9.335 6.854 1.00 41.24 C ATOM 615 O SER A 40 6.971 -9.318 6.670 1.00 31.44 O ATOM 616 CB SER A 40 4.189 -7.359 6.565 1.00 4.22 C ATOM 617 OG SER A 40 3.314 -6.680 5.678 1.00 34.42 O ATOM 0 H SER A 40 2.803 -9.284 5.894 1.00 31.12 H new ATOM 0 HA SER A 40 5.384 -8.314 5.019 1.00 11.10 H new ATOM 0 HB2 SER A 40 3.647 -7.654 7.463 1.00 4.22 H new ATOM 0 HB3 SER A 40 4.988 -6.688 6.881 1.00 4.22 H new ATOM 0 HG SER A 40 2.439 -7.121 5.680 1.00 34.42 H new ATOM 623 N THR A 41 5.161 -9.985 7.868 1.00 14.42 N ATOM 624 CA THR A 41 5.890 -10.637 8.967 1.00 61.22 C ATOM 625 C THR A 41 6.506 -11.976 8.524 1.00 31.43 C ATOM 626 O THR A 41 7.560 -12.378 9.028 1.00 14.23 O ATOM 627 CB THR A 41 4.925 -10.891 10.167 1.00 53.24 C ATOM 628 OG1 THR A 41 3.819 -11.692 9.711 1.00 71.12 O ATOM 629 CG2 THR A 41 4.385 -9.580 10.777 1.00 63.12 C ATOM 0 H THR A 41 4.148 -10.074 7.949 1.00 14.42 H new ATOM 0 HA THR A 41 6.698 -9.970 9.268 1.00 61.22 H new ATOM 0 HB THR A 41 5.489 -11.405 10.946 1.00 53.24 H new ATOM 0 HG1 THR A 41 3.177 -11.123 9.237 1.00 71.12 H new ATOM 0 HG21 THR A 41 3.719 -9.813 11.608 1.00 63.12 H new ATOM 0 HG22 THR A 41 5.218 -8.976 11.138 1.00 63.12 H new ATOM 0 HG23 THR A 41 3.836 -9.024 10.017 1.00 63.12 H new ATOM 637 N GLY A 42 5.834 -12.663 7.578 1.00 30.41 N ATOM 638 CA GLY A 42 6.306 -13.951 7.074 1.00 71.11 C ATOM 639 C GLY A 42 5.722 -15.131 7.822 1.00 24.41 C ATOM 640 O GLY A 42 6.340 -16.202 7.855 1.00 74.35 O ATOM 0 H GLY A 42 4.964 -12.340 7.153 1.00 30.41 H new ATOM 0 HA2 GLY A 42 6.052 -14.036 6.017 1.00 71.11 H new ATOM 0 HA3 GLY A 42 7.393 -13.986 7.144 1.00 71.11 H new ATOM 644 N GLU A 43 4.518 -14.944 8.410 1.00 13.14 N ATOM 645 CA GLU A 43 3.762 -16.035 9.072 1.00 3.54 C ATOM 646 C GLU A 43 3.356 -17.139 8.069 1.00 11.43 C ATOM 647 O GLU A 43 3.089 -18.275 8.462 1.00 52.45 O ATOM 648 CB GLU A 43 2.499 -15.477 9.787 1.00 41.31 C ATOM 649 CG GLU A 43 2.778 -14.476 10.928 1.00 22.35 C ATOM 650 CD GLU A 43 3.649 -15.059 12.061 1.00 43.42 C ATOM 651 OE1 GLU A 43 3.099 -15.719 12.972 1.00 63.32 O ATOM 652 OE2 GLU A 43 4.886 -14.873 12.034 1.00 11.23 O ATOM 0 H GLU A 43 4.045 -14.041 8.440 1.00 13.14 H new ATOM 0 HA GLU A 43 4.423 -16.480 9.815 1.00 3.54 H new ATOM 0 HB2 GLU A 43 1.866 -14.990 9.045 1.00 41.31 H new ATOM 0 HB3 GLU A 43 1.930 -16.314 10.191 1.00 41.31 H new ATOM 0 HG2 GLU A 43 3.273 -13.597 10.516 1.00 22.35 H new ATOM 0 HG3 GLU A 43 1.829 -14.141 11.346 1.00 22.35 H new ATOM 659 N LYS A 44 3.288 -16.778 6.772 1.00 13.44 N ATOM 660 CA LYS A 44 2.973 -17.721 5.673 1.00 34.22 C ATOM 661 C LYS A 44 4.184 -17.894 4.726 1.00 73.53 C ATOM 662 O LYS A 44 4.031 -18.382 3.599 1.00 24.12 O ATOM 663 CB LYS A 44 1.732 -17.208 4.891 1.00 31.43 C ATOM 664 CG LYS A 44 0.451 -17.048 5.733 1.00 42.34 C ATOM 665 CD LYS A 44 -0.112 -18.374 6.285 1.00 71.11 C ATOM 666 CE LYS A 44 -1.390 -18.154 7.114 1.00 63.23 C ATOM 667 NZ LYS A 44 -1.904 -19.424 7.683 1.00 54.42 N ATOM 0 H LYS A 44 3.450 -15.823 6.453 1.00 13.44 H new ATOM 0 HA LYS A 44 2.748 -18.698 6.100 1.00 34.22 H new ATOM 0 HB2 LYS A 44 1.977 -16.245 4.443 1.00 31.43 H new ATOM 0 HB3 LYS A 44 1.527 -17.898 4.072 1.00 31.43 H new ATOM 0 HG2 LYS A 44 0.660 -16.379 6.568 1.00 42.34 H new ATOM 0 HG3 LYS A 44 -0.314 -16.567 5.123 1.00 42.34 H new ATOM 0 HD2 LYS A 44 -0.328 -19.049 5.457 1.00 71.11 H new ATOM 0 HD3 LYS A 44 0.643 -18.859 6.904 1.00 71.11 H new ATOM 0 HE2 LYS A 44 -1.183 -17.452 7.921 1.00 63.23 H new ATOM 0 HE3 LYS A 44 -2.157 -17.701 6.486 1.00 63.23 H new ATOM 0 HZ1 LYS A 44 -2.765 -19.234 8.234 1.00 54.42 H new ATOM 0 HZ2 LYS A 44 -2.126 -20.085 6.912 1.00 54.42 H new ATOM 0 HZ3 LYS A 44 -1.182 -19.844 8.303 1.00 54.42 H new ATOM 681 N GLY A 45 5.390 -17.483 5.188 1.00 62.34 N ATOM 682 CA GLY A 45 6.635 -17.690 4.436 1.00 13.25 C ATOM 683 C GLY A 45 7.043 -16.526 3.544 1.00 75.23 C ATOM 684 O GLY A 45 8.232 -16.370 3.235 1.00 21.34 O ATOM 0 H GLY A 45 5.519 -17.006 6.080 1.00 62.34 H new ATOM 0 HA2 GLY A 45 7.441 -17.888 5.143 1.00 13.25 H new ATOM 0 HA3 GLY A 45 6.526 -18.582 3.819 1.00 13.25 H new ATOM 688 N PHE A 46 6.053 -15.710 3.124 1.00 0.45 N ATOM 689 CA PHE A 46 6.236 -14.710 2.050 1.00 14.41 C ATOM 690 C PHE A 46 7.161 -13.565 2.487 1.00 61.11 C ATOM 691 O PHE A 46 8.101 -13.235 1.752 1.00 33.14 O ATOM 692 CB PHE A 46 4.853 -14.180 1.594 1.00 61.55 C ATOM 693 CG PHE A 46 3.872 -15.291 1.204 1.00 63.54 C ATOM 694 CD1 PHE A 46 4.245 -16.283 0.298 1.00 24.35 C ATOM 695 CD2 PHE A 46 2.590 -15.350 1.745 1.00 30.02 C ATOM 696 CE1 PHE A 46 3.369 -17.293 -0.048 1.00 31.15 C ATOM 697 CE2 PHE A 46 1.722 -16.359 1.396 1.00 75.12 C ATOM 698 CZ PHE A 46 2.107 -17.331 0.503 1.00 52.43 C ATOM 0 H PHE A 46 5.111 -15.725 3.516 1.00 0.45 H new ATOM 0 HA PHE A 46 6.724 -15.195 1.205 1.00 14.41 H new ATOM 0 HB2 PHE A 46 4.417 -13.587 2.398 1.00 61.55 H new ATOM 0 HB3 PHE A 46 4.991 -13.512 0.743 1.00 61.55 H new ATOM 0 HD1 PHE A 46 5.232 -16.261 -0.139 1.00 24.35 H new ATOM 0 HD2 PHE A 46 2.273 -14.594 2.448 1.00 30.02 H new ATOM 0 HE1 PHE A 46 3.674 -18.054 -0.751 1.00 31.15 H new ATOM 0 HE2 PHE A 46 0.732 -16.388 1.826 1.00 75.12 H new ATOM 0 HZ PHE A 46 1.422 -18.122 0.234 1.00 52.43 H new ATOM 708 N GLY A 47 6.885 -13.009 3.695 1.00 75.42 N ATOM 709 CA GLY A 47 7.769 -12.052 4.391 1.00 12.30 C ATOM 710 C GLY A 47 8.419 -11.001 3.502 1.00 64.55 C ATOM 711 O GLY A 47 9.648 -10.994 3.367 1.00 64.10 O ATOM 0 H GLY A 47 6.032 -13.218 4.214 1.00 75.42 H new ATOM 0 HA2 GLY A 47 7.191 -11.544 5.163 1.00 12.30 H new ATOM 0 HA3 GLY A 47 8.555 -12.612 4.898 1.00 12.30 H new ATOM 715 N TYR A 48 7.586 -10.156 2.860 1.00 13.34 N ATOM 716 CA TYR A 48 8.053 -9.129 1.908 1.00 62.44 C ATOM 717 C TYR A 48 8.961 -8.090 2.597 1.00 64.52 C ATOM 718 O TYR A 48 8.492 -7.085 3.146 1.00 11.33 O ATOM 719 CB TYR A 48 6.850 -8.437 1.212 1.00 72.45 C ATOM 720 CG TYR A 48 6.009 -9.386 0.345 1.00 35.43 C ATOM 721 CD1 TYR A 48 6.418 -9.732 -0.940 1.00 5.11 C ATOM 722 CD2 TYR A 48 4.814 -9.928 0.815 1.00 71.22 C ATOM 723 CE1 TYR A 48 5.668 -10.584 -1.724 1.00 74.41 C ATOM 724 CE2 TYR A 48 4.065 -10.779 0.037 1.00 12.32 C ATOM 725 CZ TYR A 48 4.491 -11.102 -1.228 1.00 42.41 C ATOM 726 OH TYR A 48 3.745 -11.953 -2.003 1.00 54.34 O ATOM 0 H TYR A 48 6.574 -10.167 2.987 1.00 13.34 H new ATOM 0 HA TYR A 48 8.649 -9.631 1.146 1.00 62.44 H new ATOM 0 HB2 TYR A 48 6.209 -7.990 1.972 1.00 72.45 H new ATOM 0 HB3 TYR A 48 7.221 -7.623 0.589 1.00 72.45 H new ATOM 0 HD1 TYR A 48 7.339 -9.326 -1.330 1.00 5.11 H new ATOM 0 HD2 TYR A 48 4.471 -9.675 1.807 1.00 71.22 H new ATOM 0 HE1 TYR A 48 6.000 -10.843 -2.718 1.00 74.41 H new ATOM 0 HE2 TYR A 48 3.144 -11.193 0.420 1.00 12.32 H new ATOM 0 HH TYR A 48 2.801 -11.883 -1.750 1.00 54.34 H new ATOM 736 N LYS A 49 10.268 -8.380 2.580 1.00 11.30 N ATOM 737 CA LYS A 49 11.310 -7.487 3.081 1.00 5.33 C ATOM 738 C LYS A 49 12.030 -6.870 1.884 1.00 65.02 C ATOM 739 O LYS A 49 12.502 -7.590 1.003 1.00 34.30 O ATOM 740 CB LYS A 49 12.300 -8.270 3.987 1.00 11.13 C ATOM 741 CG LYS A 49 13.398 -7.405 4.651 1.00 53.31 C ATOM 742 CD LYS A 49 12.823 -6.284 5.542 1.00 42.31 C ATOM 743 CE LYS A 49 12.004 -6.812 6.736 1.00 72.30 C ATOM 744 NZ LYS A 49 12.851 -7.532 7.721 1.00 41.24 N ATOM 0 H LYS A 49 10.633 -9.258 2.211 1.00 11.30 H new ATOM 0 HA LYS A 49 10.870 -6.695 3.687 1.00 5.33 H new ATOM 0 HB2 LYS A 49 11.733 -8.775 4.769 1.00 11.13 H new ATOM 0 HB3 LYS A 49 12.780 -9.046 3.390 1.00 11.13 H new ATOM 0 HG2 LYS A 49 14.043 -8.045 5.253 1.00 53.31 H new ATOM 0 HG3 LYS A 49 14.022 -6.961 3.875 1.00 53.31 H new ATOM 0 HD2 LYS A 49 13.643 -5.670 5.916 1.00 42.31 H new ATOM 0 HD3 LYS A 49 12.191 -5.636 4.935 1.00 42.31 H new ATOM 0 HE2 LYS A 49 11.505 -5.978 7.229 1.00 72.30 H new ATOM 0 HE3 LYS A 49 11.224 -7.481 6.372 1.00 72.30 H new ATOM 0 HZ1 LYS A 49 12.244 -8.054 8.385 1.00 41.24 H new ATOM 0 HZ2 LYS A 49 13.473 -8.199 7.222 1.00 41.24 H new ATOM 0 HZ3 LYS A 49 13.430 -6.847 8.247 1.00 41.24 H new ATOM 758 N GLY A 50 12.096 -5.537 1.852 1.00 2.21 N ATOM 759 CA GLY A 50 12.670 -4.818 0.715 1.00 51.01 C ATOM 760 C GLY A 50 11.692 -4.673 -0.445 1.00 51.14 C ATOM 761 O GLY A 50 12.120 -4.447 -1.581 1.00 41.45 O ATOM 0 H GLY A 50 11.758 -4.934 2.602 1.00 2.21 H new ATOM 0 HA2 GLY A 50 12.990 -3.828 1.041 1.00 51.01 H new ATOM 0 HA3 GLY A 50 13.561 -5.344 0.370 1.00 51.01 H new ATOM 765 N SER A 51 10.377 -4.813 -0.154 1.00 30.53 N ATOM 766 CA SER A 51 9.306 -4.636 -1.150 1.00 51.50 C ATOM 767 C SER A 51 9.335 -3.183 -1.667 1.00 61.32 C ATOM 768 O SER A 51 9.193 -2.232 -0.883 1.00 70.42 O ATOM 769 CB SER A 51 7.928 -4.990 -0.530 1.00 14.01 C ATOM 770 OG SER A 51 6.876 -4.885 -1.481 1.00 11.34 O ATOM 0 H SER A 51 10.035 -5.051 0.777 1.00 30.53 H new ATOM 0 HA SER A 51 9.467 -5.310 -1.991 1.00 51.50 H new ATOM 0 HB2 SER A 51 7.958 -6.005 -0.133 1.00 14.01 H new ATOM 0 HB3 SER A 51 7.726 -4.325 0.310 1.00 14.01 H new ATOM 0 HG SER A 51 6.025 -5.117 -1.054 1.00 11.34 H new ATOM 776 N CYS A 52 9.571 -3.032 -2.981 1.00 23.11 N ATOM 777 CA CYS A 52 9.832 -1.736 -3.613 1.00 2.43 C ATOM 778 C CYS A 52 8.529 -1.030 -4.017 1.00 4.34 C ATOM 779 O CYS A 52 7.656 -1.614 -4.655 1.00 64.01 O ATOM 780 CB CYS A 52 10.742 -1.927 -4.846 1.00 33.11 C ATOM 781 SG CYS A 52 10.075 -3.049 -6.097 1.00 31.04 S ATOM 0 H CYS A 52 9.585 -3.814 -3.636 1.00 23.11 H new ATOM 0 HA CYS A 52 10.337 -1.102 -2.885 1.00 2.43 H new ATOM 0 HB2 CYS A 52 10.921 -0.955 -5.305 1.00 33.11 H new ATOM 0 HB3 CYS A 52 11.709 -2.305 -4.514 1.00 33.11 H new ATOM 0 HG CYS A 52 8.827 -3.299 -5.834 1.00 31.04 H new ATOM 787 N PHE A 53 8.409 0.232 -3.614 1.00 73.25 N ATOM 788 CA PHE A 53 7.375 1.148 -4.091 1.00 21.21 C ATOM 789 C PHE A 53 7.766 1.629 -5.499 1.00 30.24 C ATOM 790 O PHE A 53 8.252 2.749 -5.682 1.00 62.44 O ATOM 791 CB PHE A 53 7.199 2.336 -3.101 1.00 51.14 C ATOM 792 CG PHE A 53 6.837 1.927 -1.672 1.00 23.02 C ATOM 793 CD1 PHE A 53 7.811 1.426 -0.804 1.00 24.42 C ATOM 794 CD2 PHE A 53 5.528 2.049 -1.192 1.00 43.01 C ATOM 795 CE1 PHE A 53 7.489 1.061 0.483 1.00 44.12 C ATOM 796 CE2 PHE A 53 5.208 1.678 0.100 1.00 22.45 C ATOM 797 CZ PHE A 53 6.188 1.184 0.937 1.00 32.13 C ATOM 0 H PHE A 53 9.040 0.656 -2.933 1.00 73.25 H new ATOM 0 HA PHE A 53 6.413 0.639 -4.145 1.00 21.21 H new ATOM 0 HB2 PHE A 53 8.124 2.911 -3.077 1.00 51.14 H new ATOM 0 HB3 PHE A 53 6.422 2.998 -3.483 1.00 51.14 H new ATOM 0 HD1 PHE A 53 8.830 1.324 -1.148 1.00 24.42 H new ATOM 0 HD2 PHE A 53 4.757 2.439 -1.840 1.00 43.01 H new ATOM 0 HE1 PHE A 53 8.255 0.677 1.141 1.00 44.12 H new ATOM 0 HE2 PHE A 53 4.192 1.774 0.454 1.00 22.45 H new ATOM 0 HZ PHE A 53 5.939 0.893 1.947 1.00 32.13 H new ATOM 807 N HIS A 54 7.600 0.721 -6.481 1.00 42.32 N ATOM 808 CA HIS A 54 8.020 0.942 -7.879 1.00 74.45 C ATOM 809 C HIS A 54 7.068 1.898 -8.608 1.00 34.33 C ATOM 810 O HIS A 54 7.454 2.519 -9.606 1.00 31.34 O ATOM 811 CB HIS A 54 8.142 -0.406 -8.649 1.00 3.23 C ATOM 812 CG HIS A 54 6.878 -1.235 -8.734 1.00 64.33 C ATOM 813 ND1 HIS A 54 6.596 -2.255 -7.856 1.00 43.14 N ATOM 814 CD2 HIS A 54 5.833 -1.204 -9.607 1.00 23.14 C ATOM 815 CE1 HIS A 54 5.450 -2.815 -8.187 1.00 14.24 C ATOM 816 NE2 HIS A 54 4.966 -2.196 -9.239 1.00 33.05 N ATOM 0 H HIS A 54 7.169 -0.190 -6.326 1.00 42.32 H new ATOM 0 HA HIS A 54 9.005 1.409 -7.852 1.00 74.45 H new ATOM 0 HB2 HIS A 54 8.483 -0.194 -9.662 1.00 3.23 H new ATOM 0 HB3 HIS A 54 8.916 -1.007 -8.171 1.00 3.23 H new ATOM 0 HD1 HIS A 54 7.183 -2.535 -7.070 1.00 43.14 H new ATOM 0 HD2 HIS A 54 5.711 -0.523 -10.436 1.00 23.14 H new ATOM 0 HE1 HIS A 54 4.985 -3.646 -7.677 1.00 14.24 H new ATOM 825 N ARG A 55 5.819 2.006 -8.109 1.00 52.44 N ATOM 826 CA ARG A 55 4.818 2.907 -8.679 1.00 64.14 C ATOM 827 C ARG A 55 4.513 4.012 -7.676 1.00 41.11 C ATOM 828 O ARG A 55 3.779 3.791 -6.730 1.00 3.15 O ATOM 829 CB ARG A 55 3.513 2.143 -9.037 1.00 61.21 C ATOM 830 CG ARG A 55 2.502 2.995 -9.838 1.00 72.03 C ATOM 831 CD ARG A 55 1.138 2.319 -10.018 1.00 42.13 C ATOM 832 NE ARG A 55 0.320 3.035 -11.009 1.00 1.15 N ATOM 833 CZ ARG A 55 -0.997 3.246 -10.943 1.00 12.30 C ATOM 834 NH1 ARG A 55 -1.719 2.796 -9.915 1.00 4.55 N ATOM 835 NH2 ARG A 55 -1.591 3.909 -11.925 1.00 33.33 N ATOM 0 H ARG A 55 5.486 1.472 -7.306 1.00 52.44 H new ATOM 0 HA ARG A 55 5.217 3.336 -9.598 1.00 64.14 H new ATOM 0 HB2 ARG A 55 3.768 1.255 -9.616 1.00 61.21 H new ATOM 0 HB3 ARG A 55 3.039 1.799 -8.118 1.00 61.21 H new ATOM 0 HG2 ARG A 55 2.361 3.949 -9.331 1.00 72.03 H new ATOM 0 HG3 ARG A 55 2.922 3.215 -10.820 1.00 72.03 H new ATOM 0 HD2 ARG A 55 1.279 1.286 -10.336 1.00 42.13 H new ATOM 0 HD3 ARG A 55 0.614 2.289 -9.063 1.00 42.13 H new ATOM 0 HE ARG A 55 0.806 3.406 -11.826 1.00 1.15 H new ATOM 0 HH11 ARG A 55 -1.266 2.280 -9.161 1.00 4.55 H new ATOM 0 HH12 ARG A 55 -2.724 2.968 -9.884 1.00 4.55 H new ATOM 0 HH21 ARG A 55 -1.043 4.249 -12.715 1.00 33.33 H new ATOM 0 HH22 ARG A 55 -2.596 4.079 -11.891 1.00 33.33 H new ATOM 849 N ILE A 56 5.113 5.187 -7.856 1.00 62.35 N ATOM 850 CA ILE A 56 4.768 6.380 -7.066 1.00 61.41 C ATOM 851 C ILE A 56 4.465 7.530 -8.031 1.00 14.43 C ATOM 852 O ILE A 56 5.153 7.703 -9.045 1.00 22.31 O ATOM 853 CB ILE A 56 5.895 6.785 -6.041 1.00 0.10 C ATOM 854 CG1 ILE A 56 6.172 5.632 -5.018 1.00 75.41 C ATOM 855 CG2 ILE A 56 5.530 8.088 -5.307 1.00 52.24 C ATOM 856 CD1 ILE A 56 7.176 5.967 -3.922 1.00 1.35 C ATOM 0 H ILE A 56 5.847 5.345 -8.546 1.00 62.35 H new ATOM 0 HA ILE A 56 3.890 6.150 -6.463 1.00 61.41 H new ATOM 0 HB ILE A 56 6.810 6.958 -6.607 1.00 0.10 H new ATOM 0 HG12 ILE A 56 5.229 5.348 -4.551 1.00 75.41 H new ATOM 0 HG13 ILE A 56 6.532 4.761 -5.565 1.00 75.41 H new ATOM 0 HG21 ILE A 56 6.324 8.345 -4.606 1.00 52.24 H new ATOM 0 HG22 ILE A 56 5.411 8.893 -6.032 1.00 52.24 H new ATOM 0 HG23 ILE A 56 4.596 7.950 -4.763 1.00 52.24 H new ATOM 0 HD11 ILE A 56 7.299 5.106 -3.266 1.00 1.35 H new ATOM 0 HD12 ILE A 56 8.136 6.220 -4.373 1.00 1.35 H new ATOM 0 HD13 ILE A 56 6.813 6.816 -3.343 1.00 1.35 H new ATOM 868 N ILE A 57 3.403 8.286 -7.706 1.00 72.43 N ATOM 869 CA ILE A 57 2.880 9.388 -8.519 1.00 71.11 C ATOM 870 C ILE A 57 2.596 10.599 -7.589 1.00 23.53 C ATOM 871 O ILE A 57 1.855 10.446 -6.604 1.00 10.24 O ATOM 872 CB ILE A 57 1.560 8.950 -9.264 1.00 51.12 C ATOM 873 CG1 ILE A 57 1.810 7.668 -10.131 1.00 55.22 C ATOM 874 CG2 ILE A 57 0.987 10.110 -10.112 1.00 25.11 C ATOM 875 CD1 ILE A 57 0.578 7.051 -10.754 1.00 23.22 C ATOM 0 H ILE A 57 2.873 8.141 -6.847 1.00 72.43 H new ATOM 0 HA ILE A 57 3.615 9.665 -9.275 1.00 71.11 H new ATOM 0 HB ILE A 57 0.812 8.699 -8.512 1.00 51.12 H new ATOM 0 HG12 ILE A 57 2.510 7.920 -10.927 1.00 55.22 H new ATOM 0 HG13 ILE A 57 2.294 6.917 -9.506 1.00 55.22 H new ATOM 0 HG21 ILE A 57 0.078 9.779 -10.614 1.00 25.11 H new ATOM 0 HG22 ILE A 57 0.757 10.955 -9.464 1.00 25.11 H new ATOM 0 HG23 ILE A 57 1.722 10.414 -10.857 1.00 25.11 H new ATOM 0 HD11 ILE A 57 0.864 6.172 -11.331 1.00 23.22 H new ATOM 0 HD12 ILE A 57 -0.119 6.759 -9.969 1.00 23.22 H new ATOM 0 HD13 ILE A 57 0.100 7.777 -11.412 1.00 23.22 H new ATOM 887 N PRO A 58 3.169 11.814 -7.882 1.00 32.31 N ATOM 888 CA PRO A 58 2.996 13.003 -7.027 1.00 51.34 C ATOM 889 C PRO A 58 1.610 13.657 -7.213 1.00 73.43 C ATOM 890 O PRO A 58 1.047 13.658 -8.322 1.00 33.12 O ATOM 891 CB PRO A 58 4.145 13.930 -7.488 1.00 71.15 C ATOM 892 CG PRO A 58 4.321 13.608 -8.940 1.00 51.11 C ATOM 893 CD PRO A 58 4.004 12.128 -9.073 1.00 42.40 C ATOM 0 HA PRO A 58 3.036 12.772 -5.963 1.00 51.34 H new ATOM 0 HB2 PRO A 58 3.892 14.980 -7.341 1.00 71.15 H new ATOM 0 HB3 PRO A 58 5.059 13.741 -6.925 1.00 71.15 H new ATOM 0 HG2 PRO A 58 3.654 14.209 -9.558 1.00 51.11 H new ATOM 0 HG3 PRO A 58 5.338 13.822 -9.268 1.00 51.11 H new ATOM 0 HD2 PRO A 58 3.468 11.919 -9.999 1.00 42.40 H new ATOM 0 HD3 PRO A 58 4.914 11.528 -9.089 1.00 42.40 H new ATOM 901 N GLY A 59 1.077 14.200 -6.108 1.00 53.54 N ATOM 902 CA GLY A 59 -0.267 14.777 -6.072 1.00 10.31 C ATOM 903 C GLY A 59 -1.359 13.725 -6.182 1.00 23.44 C ATOM 904 O GLY A 59 -2.471 14.030 -6.616 1.00 33.14 O ATOM 0 H GLY A 59 1.569 14.249 -5.216 1.00 53.54 H new ATOM 0 HA2 GLY A 59 -0.395 15.332 -5.143 1.00 10.31 H new ATOM 0 HA3 GLY A 59 -0.373 15.492 -6.888 1.00 10.31 H new ATOM 908 N PHE A 60 -1.044 12.481 -5.772 1.00 21.14 N ATOM 909 CA PHE A 60 -1.928 11.325 -5.981 1.00 31.22 C ATOM 910 C PHE A 60 -1.722 10.260 -4.883 1.00 44.34 C ATOM 911 O PHE A 60 -2.567 10.131 -3.975 1.00 4.21 O ATOM 912 CB PHE A 60 -1.693 10.736 -7.416 1.00 14.03 C ATOM 913 CG PHE A 60 -2.542 9.505 -7.784 1.00 60.13 C ATOM 914 CD1 PHE A 60 -3.929 9.543 -7.702 1.00 24.00 C ATOM 915 CD2 PHE A 60 -1.949 8.317 -8.223 1.00 74.12 C ATOM 916 CE1 PHE A 60 -4.694 8.438 -8.041 1.00 73.14 C ATOM 917 CE2 PHE A 60 -2.712 7.216 -8.559 1.00 41.34 C ATOM 918 CZ PHE A 60 -4.085 7.277 -8.469 1.00 24.43 C ATOM 0 H PHE A 60 -0.174 12.253 -5.290 1.00 21.14 H new ATOM 0 HA PHE A 60 -2.965 11.652 -5.909 1.00 31.22 H new ATOM 0 HB2 PHE A 60 -1.890 11.521 -8.147 1.00 14.03 H new ATOM 0 HB3 PHE A 60 -0.640 10.469 -7.510 1.00 14.03 H new ATOM 0 HD1 PHE A 60 -4.418 10.447 -7.369 1.00 24.00 H new ATOM 0 HD2 PHE A 60 -0.873 8.259 -8.301 1.00 74.12 H new ATOM 0 HE1 PHE A 60 -5.771 8.486 -7.970 1.00 73.14 H new ATOM 0 HE2 PHE A 60 -2.232 6.308 -8.892 1.00 41.34 H new ATOM 0 HZ PHE A 60 -4.683 6.418 -8.733 1.00 24.43 H new ATOM 928 N MET A 61 -0.583 9.521 -4.943 1.00 13.01 N ATOM 929 CA MET A 61 -0.466 8.207 -4.267 1.00 5.14 C ATOM 930 C MET A 61 0.941 7.595 -4.410 1.00 22.11 C ATOM 931 O MET A 61 1.572 7.728 -5.460 1.00 45.33 O ATOM 932 CB MET A 61 -1.510 7.278 -4.925 1.00 63.02 C ATOM 933 CG MET A 61 -1.567 5.833 -4.471 1.00 60.42 C ATOM 934 SD MET A 61 -2.812 4.934 -5.415 1.00 13.31 S ATOM 935 CE MET A 61 -4.277 5.944 -5.140 1.00 10.10 C ATOM 0 H MET A 61 0.256 9.810 -5.446 1.00 13.01 H new ATOM 0 HA MET A 61 -0.640 8.330 -3.198 1.00 5.14 H new ATOM 0 HB2 MET A 61 -2.495 7.717 -4.765 1.00 63.02 H new ATOM 0 HB3 MET A 61 -1.330 7.283 -6.000 1.00 63.02 H new ATOM 0 HG2 MET A 61 -0.592 5.364 -4.602 1.00 60.42 H new ATOM 0 HG3 MET A 61 -1.803 5.787 -3.408 1.00 60.42 H new ATOM 0 HE1 MET A 61 -5.129 5.299 -4.925 1.00 10.10 H new ATOM 0 HE2 MET A 61 -4.105 6.612 -4.296 1.00 10.10 H new ATOM 0 HE3 MET A 61 -4.485 6.534 -6.033 1.00 10.10 H new ATOM 945 N CYS A 62 1.412 6.906 -3.351 1.00 24.02 N ATOM 946 CA CYS A 62 2.630 6.071 -3.398 1.00 23.15 C ATOM 947 C CYS A 62 2.229 4.583 -3.232 1.00 24.41 C ATOM 948 O CYS A 62 1.774 4.166 -2.164 1.00 75.30 O ATOM 949 CB CYS A 62 3.612 6.521 -2.286 1.00 63.22 C ATOM 950 SG CYS A 62 2.929 6.465 -0.619 1.00 71.43 S ATOM 0 H CYS A 62 0.958 6.913 -2.438 1.00 24.02 H new ATOM 0 HA CYS A 62 3.134 6.188 -4.357 1.00 23.15 H new ATOM 0 HB2 CYS A 62 4.498 5.888 -2.323 1.00 63.22 H new ATOM 0 HB3 CYS A 62 3.939 7.539 -2.497 1.00 63.22 H new ATOM 0 HG CYS A 62 3.898 6.416 0.246 1.00 71.43 H new ATOM 956 N GLN A 63 2.409 3.792 -4.304 1.00 71.41 N ATOM 957 CA GLN A 63 1.991 2.369 -4.372 1.00 51.53 C ATOM 958 C GLN A 63 3.204 1.416 -4.262 1.00 52.22 C ATOM 959 O GLN A 63 4.133 1.462 -5.091 1.00 74.33 O ATOM 960 CB GLN A 63 1.205 2.100 -5.689 1.00 63.00 C ATOM 961 CG GLN A 63 0.755 0.632 -5.879 1.00 20.33 C ATOM 962 CD GLN A 63 -0.185 0.428 -7.070 1.00 33.42 C ATOM 963 OE1 GLN A 63 -0.963 1.313 -7.439 1.00 50.50 O ATOM 964 NE2 GLN A 63 -0.118 -0.732 -7.686 1.00 41.20 N ATOM 0 H GLN A 63 2.854 4.121 -5.161 1.00 71.41 H new ATOM 0 HA GLN A 63 1.337 2.171 -3.523 1.00 51.53 H new ATOM 0 HB2 GLN A 63 0.325 2.742 -5.709 1.00 63.00 H new ATOM 0 HB3 GLN A 63 1.829 2.388 -6.535 1.00 63.00 H new ATOM 0 HG2 GLN A 63 1.637 0.005 -6.011 1.00 20.33 H new ATOM 0 HG3 GLN A 63 0.256 0.293 -4.971 1.00 20.33 H new ATOM 0 HE21 GLN A 63 0.534 -1.446 -7.360 1.00 41.20 H new ATOM 0 HE22 GLN A 63 -0.718 -0.918 -8.490 1.00 41.20 H new ATOM 973 N GLY A 64 3.165 0.555 -3.227 1.00 64.53 N ATOM 974 CA GLY A 64 4.172 -0.476 -2.989 1.00 52.24 C ATOM 975 C GLY A 64 3.809 -1.793 -3.634 1.00 75.11 C ATOM 976 O GLY A 64 2.620 -2.119 -3.759 1.00 23.30 O ATOM 0 H GLY A 64 2.421 0.563 -2.529 1.00 64.53 H new ATOM 0 HA2 GLY A 64 5.133 -0.138 -3.376 1.00 52.24 H new ATOM 0 HA3 GLY A 64 4.293 -0.621 -1.916 1.00 52.24 H new ATOM 980 N GLY A 65 4.836 -2.547 -4.042 1.00 71.44 N ATOM 981 CA GLY A 65 4.653 -3.844 -4.671 1.00 71.01 C ATOM 982 C GLY A 65 5.976 -4.523 -4.967 1.00 73.20 C ATOM 983 O GLY A 65 6.865 -3.925 -5.566 1.00 31.23 O ATOM 0 H GLY A 65 5.812 -2.269 -3.942 1.00 71.44 H new ATOM 0 HA2 GLY A 65 4.056 -4.482 -4.019 1.00 71.01 H new ATOM 0 HA3 GLY A 65 4.093 -3.722 -5.598 1.00 71.01 H new ATOM 987 N ASP A 66 6.092 -5.789 -4.582 1.00 24.23 N ATOM 988 CA ASP A 66 7.341 -6.556 -4.712 1.00 13.13 C ATOM 989 C ASP A 66 7.582 -6.994 -6.176 1.00 14.41 C ATOM 990 O ASP A 66 6.675 -6.910 -7.019 1.00 50.20 O ATOM 991 CB ASP A 66 7.280 -7.771 -3.755 1.00 1.24 C ATOM 992 CG ASP A 66 8.621 -8.501 -3.595 1.00 72.45 C ATOM 993 OD1 ASP A 66 9.591 -7.867 -3.124 1.00 1.14 O ATOM 994 OD2 ASP A 66 8.719 -9.688 -3.972 1.00 1.33 O ATOM 0 H ASP A 66 5.325 -6.320 -4.169 1.00 24.23 H new ATOM 0 HA ASP A 66 8.186 -5.925 -4.435 1.00 13.13 H new ATOM 0 HB2 ASP A 66 6.941 -7.434 -2.775 1.00 1.24 H new ATOM 0 HB3 ASP A 66 6.535 -8.476 -4.124 1.00 1.24 H new ATOM 999 N PHE A 67 8.823 -7.427 -6.464 1.00 11.34 N ATOM 1000 CA PHE A 67 9.228 -7.920 -7.791 1.00 71.33 C ATOM 1001 C PHE A 67 8.478 -9.216 -8.162 1.00 71.14 C ATOM 1002 O PHE A 67 8.194 -9.453 -9.351 1.00 14.32 O ATOM 1003 CB PHE A 67 10.765 -8.149 -7.835 1.00 43.30 C ATOM 1004 CG PHE A 67 11.294 -8.696 -9.172 1.00 72.34 C ATOM 1005 CD1 PHE A 67 11.407 -7.866 -10.289 1.00 51.21 C ATOM 1006 CD2 PHE A 67 11.654 -10.045 -9.314 1.00 4.25 C ATOM 1007 CE1 PHE A 67 11.864 -8.361 -11.498 1.00 53.53 C ATOM 1008 CE2 PHE A 67 12.111 -10.532 -10.523 1.00 54.42 C ATOM 1009 CZ PHE A 67 12.213 -9.693 -11.615 1.00 1.45 C ATOM 0 H PHE A 67 9.577 -7.444 -5.777 1.00 11.34 H new ATOM 0 HA PHE A 67 8.963 -7.161 -8.527 1.00 71.33 H new ATOM 0 HB2 PHE A 67 11.266 -7.205 -7.620 1.00 43.30 H new ATOM 0 HB3 PHE A 67 11.038 -8.843 -7.040 1.00 43.30 H new ATOM 0 HD1 PHE A 67 11.134 -6.824 -10.209 1.00 51.21 H new ATOM 0 HD2 PHE A 67 11.573 -10.711 -8.467 1.00 4.25 H new ATOM 0 HE1 PHE A 67 11.948 -7.705 -12.352 1.00 53.53 H new ATOM 0 HE2 PHE A 67 12.389 -11.572 -10.615 1.00 54.42 H new ATOM 0 HZ PHE A 67 12.566 -10.078 -12.561 1.00 1.45 H new ATOM 1019 N THR A 68 8.167 -10.050 -7.142 1.00 73.34 N ATOM 1020 CA THR A 68 7.510 -11.351 -7.343 1.00 13.14 C ATOM 1021 C THR A 68 6.130 -11.183 -8.002 1.00 12.32 C ATOM 1022 O THR A 68 5.214 -10.608 -7.392 1.00 3.02 O ATOM 1023 CB THR A 68 7.364 -12.153 -6.007 1.00 3.21 C ATOM 1024 OG1 THR A 68 8.648 -12.260 -5.374 1.00 30.21 O ATOM 1025 CG2 THR A 68 6.807 -13.571 -6.248 1.00 63.25 C ATOM 0 H THR A 68 8.365 -9.836 -6.165 1.00 73.34 H new ATOM 0 HA THR A 68 8.156 -11.922 -8.010 1.00 13.14 H new ATOM 0 HB THR A 68 6.663 -11.614 -5.370 1.00 3.21 H new ATOM 0 HG1 THR A 68 8.824 -11.450 -4.852 1.00 30.21 H new ATOM 0 HG21 THR A 68 6.721 -14.095 -5.296 1.00 63.25 H new ATOM 0 HG22 THR A 68 5.824 -13.501 -6.714 1.00 63.25 H new ATOM 0 HG23 THR A 68 7.482 -14.120 -6.904 1.00 63.25 H new ATOM 1033 N ARG A 69 6.028 -11.671 -9.260 1.00 74.44 N ATOM 1034 CA ARG A 69 4.796 -11.651 -10.069 1.00 44.21 C ATOM 1035 C ARG A 69 4.354 -10.210 -10.417 1.00 51.41 C ATOM 1036 O ARG A 69 3.169 -9.984 -10.663 1.00 34.31 O ATOM 1037 CB ARG A 69 3.649 -12.438 -9.355 1.00 10.21 C ATOM 1038 CG ARG A 69 3.857 -13.968 -9.243 1.00 70.53 C ATOM 1039 CD ARG A 69 2.784 -14.643 -8.359 1.00 3.21 C ATOM 1040 NE ARG A 69 2.808 -16.116 -8.461 1.00 12.11 N ATOM 1041 CZ ARG A 69 3.612 -16.946 -7.770 1.00 35.14 C ATOM 1042 NH1 ARG A 69 4.501 -16.480 -6.888 1.00 42.14 N ATOM 1043 NH2 ARG A 69 3.502 -18.253 -7.954 1.00 10.31 N ATOM 0 H ARG A 69 6.817 -12.097 -9.747 1.00 74.44 H new ATOM 0 HA ARG A 69 5.018 -12.152 -11.012 1.00 44.21 H new ATOM 0 HB2 ARG A 69 3.524 -12.032 -8.351 1.00 10.21 H new ATOM 0 HB3 ARG A 69 2.718 -12.254 -9.891 1.00 10.21 H new ATOM 0 HG2 ARG A 69 3.834 -14.409 -10.239 1.00 70.53 H new ATOM 0 HG3 ARG A 69 4.845 -14.169 -8.828 1.00 70.53 H new ATOM 0 HD2 ARG A 69 2.939 -14.352 -7.320 1.00 3.21 H new ATOM 0 HD3 ARG A 69 1.798 -14.279 -8.648 1.00 3.21 H new ATOM 0 HE ARG A 69 2.154 -16.545 -9.116 1.00 12.11 H new ATOM 0 HH11 ARG A 69 4.581 -15.476 -6.727 1.00 42.14 H new ATOM 0 HH12 ARG A 69 5.100 -17.128 -6.376 1.00 42.14 H new ATOM 0 HH21 ARG A 69 2.815 -18.619 -8.613 1.00 10.31 H new ATOM 0 HH22 ARG A 69 4.105 -18.893 -7.437 1.00 10.31 H new ATOM 1057 N HIS A 70 5.326 -9.257 -10.498 1.00 14.33 N ATOM 1058 CA HIS A 70 5.042 -7.801 -10.709 1.00 33.51 C ATOM 1059 C HIS A 70 4.188 -7.535 -11.969 1.00 61.44 C ATOM 1060 O HIS A 70 3.473 -6.523 -12.055 1.00 5.43 O ATOM 1061 CB HIS A 70 6.356 -6.966 -10.748 1.00 33.40 C ATOM 1062 CG HIS A 70 7.189 -7.125 -12.002 1.00 70.01 C ATOM 1063 ND1 HIS A 70 7.133 -6.233 -13.048 1.00 22.32 N ATOM 1064 CD2 HIS A 70 8.099 -8.057 -12.367 1.00 41.32 C ATOM 1065 CE1 HIS A 70 7.961 -6.609 -13.996 1.00 44.44 C ATOM 1066 NE2 HIS A 70 8.563 -7.716 -13.611 1.00 53.12 N ATOM 0 H HIS A 70 6.320 -9.470 -10.420 1.00 14.33 H new ATOM 0 HA HIS A 70 4.453 -7.478 -9.851 1.00 33.51 H new ATOM 0 HB2 HIS A 70 6.101 -5.913 -10.633 1.00 33.40 H new ATOM 0 HB3 HIS A 70 6.967 -7.242 -9.889 1.00 33.40 H new ATOM 0 HD2 HIS A 70 8.404 -8.914 -11.784 1.00 41.32 H new ATOM 0 HE1 HIS A 70 8.121 -6.097 -14.933 1.00 44.44 H new ATOM 0 HE2 HIS A 70 9.258 -8.233 -14.149 1.00 53.12 H new ATOM 1075 N ASN A 71 4.275 -8.469 -12.931 1.00 64.31 N ATOM 1076 CA ASN A 71 3.459 -8.466 -14.147 1.00 31.03 C ATOM 1077 C ASN A 71 2.040 -8.976 -13.813 1.00 13.45 C ATOM 1078 O ASN A 71 1.777 -10.183 -13.850 1.00 1.14 O ATOM 1079 CB ASN A 71 4.122 -9.354 -15.240 1.00 24.01 C ATOM 1080 CG ASN A 71 5.574 -8.963 -15.536 1.00 60.20 C ATOM 1081 OD1 ASN A 71 6.500 -9.423 -14.871 1.00 61.02 O ATOM 1082 ND2 ASN A 71 5.791 -8.122 -16.532 1.00 51.34 N ATOM 0 H ASN A 71 4.923 -9.255 -12.881 1.00 64.31 H new ATOM 0 HA ASN A 71 3.387 -7.450 -14.535 1.00 31.03 H new ATOM 0 HB2 ASN A 71 4.091 -10.396 -14.921 1.00 24.01 H new ATOM 0 HB3 ASN A 71 3.539 -9.284 -16.158 1.00 24.01 H new ATOM 0 HD21 ASN A 71 6.744 -7.841 -16.764 1.00 51.34 H new ATOM 0 HD22 ASN A 71 5.006 -7.754 -17.069 1.00 51.34 H new ATOM 1089 N GLY A 72 1.157 -8.051 -13.404 1.00 1.12 N ATOM 1090 CA GLY A 72 -0.258 -8.375 -13.147 1.00 44.34 C ATOM 1091 C GLY A 72 -0.568 -8.779 -11.701 1.00 24.40 C ATOM 1092 O GLY A 72 -1.731 -9.056 -11.384 1.00 63.45 O ATOM 0 H GLY A 72 1.397 -7.073 -13.244 1.00 1.12 H new ATOM 0 HA2 GLY A 72 -0.868 -7.510 -13.407 1.00 44.34 H new ATOM 0 HA3 GLY A 72 -0.557 -9.187 -13.809 1.00 44.34 H new ATOM 1096 N THR A 73 0.460 -8.824 -10.827 1.00 4.14 N ATOM 1097 CA THR A 73 0.278 -9.050 -9.374 1.00 22.14 C ATOM 1098 C THR A 73 1.253 -8.142 -8.566 1.00 1.41 C ATOM 1099 O THR A 73 0.908 -6.992 -8.289 1.00 2.31 O ATOM 1100 CB THR A 73 0.397 -10.578 -9.000 1.00 71.23 C ATOM 1101 OG1 THR A 73 -0.616 -11.324 -9.694 1.00 12.34 O ATOM 1102 CG2 THR A 73 0.265 -10.847 -7.485 1.00 54.32 C ATOM 0 H THR A 73 1.434 -8.706 -11.105 1.00 4.14 H new ATOM 0 HA THR A 73 -0.736 -8.763 -9.097 1.00 22.14 H new ATOM 0 HB THR A 73 1.395 -10.895 -9.301 1.00 71.23 H new ATOM 0 HG1 THR A 73 -0.360 -12.269 -9.728 1.00 12.34 H new ATOM 0 HG21 THR A 73 0.356 -11.917 -7.296 1.00 54.32 H new ATOM 0 HG22 THR A 73 1.053 -10.316 -6.951 1.00 54.32 H new ATOM 0 HG23 THR A 73 -0.707 -10.499 -7.137 1.00 54.32 H new ATOM 1110 N GLY A 74 2.468 -8.646 -8.224 1.00 73.51 N ATOM 1111 CA GLY A 74 3.489 -7.851 -7.525 1.00 0.23 C ATOM 1112 C GLY A 74 3.284 -7.767 -6.020 1.00 31.15 C ATOM 1113 O GLY A 74 3.435 -6.698 -5.434 1.00 52.33 O ATOM 0 H GLY A 74 2.756 -9.603 -8.426 1.00 73.51 H new ATOM 0 HA2 GLY A 74 4.470 -8.282 -7.724 1.00 0.23 H new ATOM 0 HA3 GLY A 74 3.495 -6.842 -7.938 1.00 0.23 H new ATOM 1117 N GLY A 75 2.951 -8.899 -5.373 1.00 61.41 N ATOM 1118 CA GLY A 75 2.659 -8.894 -3.931 1.00 63.31 C ATOM 1119 C GLY A 75 1.506 -9.813 -3.596 1.00 43.31 C ATOM 1120 O GLY A 75 0.522 -9.372 -2.995 1.00 74.32 O ATOM 0 H GLY A 75 2.879 -9.814 -5.818 1.00 61.41 H new ATOM 0 HA2 GLY A 75 3.546 -9.204 -3.378 1.00 63.31 H new ATOM 0 HA3 GLY A 75 2.422 -7.880 -3.610 1.00 63.31 H new ATOM 1124 N LYS A 76 1.622 -11.087 -4.037 1.00 73.22 N ATOM 1125 CA LYS A 76 0.554 -12.108 -3.914 1.00 11.05 C ATOM 1126 C LYS A 76 0.086 -12.311 -2.454 1.00 3.12 C ATOM 1127 O LYS A 76 0.797 -11.962 -1.513 1.00 10.31 O ATOM 1128 CB LYS A 76 1.023 -13.461 -4.522 1.00 3.21 C ATOM 1129 CG LYS A 76 2.218 -14.123 -3.804 1.00 71.25 C ATOM 1130 CD LYS A 76 2.524 -15.548 -4.316 1.00 54.22 C ATOM 1131 CE LYS A 76 1.382 -16.546 -4.043 1.00 62.51 C ATOM 1132 NZ LYS A 76 1.066 -16.653 -2.592 1.00 33.13 N ATOM 0 H LYS A 76 2.465 -11.438 -4.491 1.00 73.22 H new ATOM 0 HA LYS A 76 -0.303 -11.736 -4.475 1.00 11.05 H new ATOM 0 HB2 LYS A 76 0.183 -14.156 -4.513 1.00 3.21 H new ATOM 0 HB3 LYS A 76 1.291 -13.299 -5.566 1.00 3.21 H new ATOM 0 HG2 LYS A 76 3.102 -13.500 -3.935 1.00 71.25 H new ATOM 0 HG3 LYS A 76 2.013 -14.165 -2.734 1.00 71.25 H new ATOM 0 HD2 LYS A 76 2.716 -15.509 -5.388 1.00 54.22 H new ATOM 0 HD3 LYS A 76 3.436 -15.910 -3.842 1.00 54.22 H new ATOM 0 HE2 LYS A 76 0.490 -16.233 -4.586 1.00 62.51 H new ATOM 0 HE3 LYS A 76 1.660 -17.528 -4.426 1.00 62.51 H new ATOM 0 HZ1 LYS A 76 0.500 -17.509 -2.422 1.00 33.13 H new ATOM 0 HZ2 LYS A 76 1.950 -16.709 -2.047 1.00 33.13 H new ATOM 0 HZ3 LYS A 76 0.526 -15.816 -2.292 1.00 33.13 H new ATOM 1146 N SER A 77 -1.095 -12.934 -2.283 1.00 22.03 N ATOM 1147 CA SER A 77 -1.771 -13.028 -0.977 1.00 31.43 C ATOM 1148 C SER A 77 -1.427 -14.346 -0.262 1.00 63.03 C ATOM 1149 O SER A 77 -0.614 -15.149 -0.751 1.00 32.42 O ATOM 1150 CB SER A 77 -3.299 -12.899 -1.186 1.00 33.12 C ATOM 1151 OG SER A 77 -3.814 -13.943 -2.003 1.00 11.22 O ATOM 0 H SER A 77 -1.605 -13.384 -3.043 1.00 22.03 H new ATOM 0 HA SER A 77 -1.422 -12.216 -0.340 1.00 31.43 H new ATOM 0 HB2 SER A 77 -3.800 -12.915 -0.218 1.00 33.12 H new ATOM 0 HB3 SER A 77 -3.522 -11.936 -1.645 1.00 33.12 H new ATOM 0 HG SER A 77 -3.073 -14.410 -2.442 1.00 11.22 H new ATOM 1157 N ILE A 78 -2.037 -14.541 0.920 1.00 33.10 N ATOM 1158 CA ILE A 78 -1.932 -15.798 1.688 1.00 3.31 C ATOM 1159 C ILE A 78 -3.030 -16.787 1.263 1.00 13.31 C ATOM 1160 O ILE A 78 -2.993 -17.966 1.626 1.00 5.42 O ATOM 1161 CB ILE A 78 -2.001 -15.531 3.241 1.00 35.14 C ATOM 1162 CG1 ILE A 78 -3.434 -15.119 3.717 1.00 54.15 C ATOM 1163 CG2 ILE A 78 -0.970 -14.449 3.639 1.00 11.23 C ATOM 1164 CD1 ILE A 78 -3.576 -14.958 5.229 1.00 65.42 C ATOM 0 H ILE A 78 -2.617 -13.833 1.371 1.00 33.10 H new ATOM 0 HA ILE A 78 -0.960 -16.240 1.467 1.00 3.31 H new ATOM 0 HB ILE A 78 -1.759 -16.469 3.741 1.00 35.14 H new ATOM 0 HG12 ILE A 78 -3.707 -14.179 3.237 1.00 54.15 H new ATOM 0 HG13 ILE A 78 -4.147 -15.870 3.376 1.00 54.15 H new ATOM 0 HG21 ILE A 78 -1.025 -14.271 4.713 1.00 11.23 H new ATOM 0 HG22 ILE A 78 0.033 -14.788 3.378 1.00 11.23 H new ATOM 0 HG23 ILE A 78 -1.190 -13.524 3.107 1.00 11.23 H new ATOM 0 HD11 ILE A 78 -4.600 -14.672 5.470 1.00 65.42 H new ATOM 0 HD12 ILE A 78 -3.338 -15.902 5.719 1.00 65.42 H new ATOM 0 HD13 ILE A 78 -2.891 -14.185 5.578 1.00 65.42 H new ATOM 1176 N TYR A 79 -4.012 -16.275 0.503 1.00 43.15 N ATOM 1177 CA TYR A 79 -5.134 -17.064 -0.031 1.00 4.30 C ATOM 1178 C TYR A 79 -4.741 -17.669 -1.389 1.00 34.44 C ATOM 1179 O TYR A 79 -5.287 -18.695 -1.810 1.00 42.23 O ATOM 1180 CB TYR A 79 -6.385 -16.151 -0.153 1.00 40.43 C ATOM 1181 CG TYR A 79 -6.672 -15.385 1.150 1.00 73.30 C ATOM 1182 CD1 TYR A 79 -7.084 -16.061 2.302 1.00 72.33 C ATOM 1183 CD2 TYR A 79 -6.475 -14.004 1.244 1.00 2.53 C ATOM 1184 CE1 TYR A 79 -7.280 -15.388 3.492 1.00 13.32 C ATOM 1185 CE2 TYR A 79 -6.684 -13.329 2.429 1.00 11.30 C ATOM 1186 CZ TYR A 79 -7.079 -14.026 3.550 1.00 71.22 C ATOM 1187 OH TYR A 79 -7.251 -13.362 4.742 1.00 1.20 O ATOM 0 H TYR A 79 -4.049 -15.290 0.239 1.00 43.15 H new ATOM 0 HA TYR A 79 -5.373 -17.886 0.643 1.00 4.30 H new ATOM 0 HB2 TYR A 79 -6.236 -15.440 -0.966 1.00 40.43 H new ATOM 0 HB3 TYR A 79 -7.252 -16.758 -0.415 1.00 40.43 H new ATOM 0 HD1 TYR A 79 -7.252 -17.127 2.261 1.00 72.33 H new ATOM 0 HD2 TYR A 79 -6.153 -13.455 0.372 1.00 2.53 H new ATOM 0 HE1 TYR A 79 -7.590 -15.928 4.375 1.00 13.32 H new ATOM 0 HE2 TYR A 79 -6.539 -12.260 2.478 1.00 11.30 H new ATOM 0 HH TYR A 79 -7.164 -12.397 4.594 1.00 1.20 H new ATOM 1197 N GLY A 80 -3.776 -17.010 -2.056 1.00 53.50 N ATOM 1198 CA GLY A 80 -3.225 -17.468 -3.325 1.00 72.05 C ATOM 1199 C GLY A 80 -2.381 -16.386 -3.977 1.00 25.54 C ATOM 1200 O GLY A 80 -1.704 -15.616 -3.283 1.00 15.15 O ATOM 0 H GLY A 80 -3.361 -16.141 -1.720 1.00 53.50 H new ATOM 0 HA2 GLY A 80 -2.618 -18.358 -3.161 1.00 72.05 H new ATOM 0 HA3 GLY A 80 -4.036 -17.754 -3.995 1.00 72.05 H new ATOM 1204 N GLU A 81 -2.414 -16.329 -5.314 1.00 60.11 N ATOM 1205 CA GLU A 81 -1.751 -15.272 -6.094 1.00 3.42 C ATOM 1206 C GLU A 81 -2.471 -13.924 -5.878 1.00 52.30 C ATOM 1207 O GLU A 81 -1.844 -12.868 -5.831 1.00 31.41 O ATOM 1208 CB GLU A 81 -1.723 -15.662 -7.590 1.00 33.33 C ATOM 1209 CG GLU A 81 -1.023 -14.643 -8.510 1.00 65.41 C ATOM 1210 CD GLU A 81 -0.930 -15.136 -9.955 1.00 71.33 C ATOM 1211 OE1 GLU A 81 0.009 -15.903 -10.268 1.00 63.44 O ATOM 1212 OE2 GLU A 81 -1.810 -14.794 -10.775 1.00 71.54 O ATOM 0 H GLU A 81 -2.902 -17.016 -5.889 1.00 60.11 H new ATOM 0 HA GLU A 81 -0.722 -15.161 -5.753 1.00 3.42 H new ATOM 0 HB2 GLU A 81 -1.223 -16.625 -7.691 1.00 33.33 H new ATOM 0 HB3 GLU A 81 -2.748 -15.798 -7.935 1.00 33.33 H new ATOM 0 HG2 GLU A 81 -1.568 -13.699 -8.484 1.00 65.41 H new ATOM 0 HG3 GLU A 81 -0.021 -14.443 -8.131 1.00 65.41 H new ATOM 1219 N LYS A 82 -3.799 -14.006 -5.725 1.00 13.34 N ATOM 1220 CA LYS A 82 -4.689 -12.856 -5.473 1.00 62.32 C ATOM 1221 C LYS A 82 -6.093 -13.377 -5.108 1.00 52.13 C ATOM 1222 O LYS A 82 -6.323 -14.592 -5.086 1.00 51.53 O ATOM 1223 CB LYS A 82 -4.717 -11.896 -6.706 1.00 55.44 C ATOM 1224 CG LYS A 82 -4.979 -12.599 -8.057 1.00 71.33 C ATOM 1225 CD LYS A 82 -4.862 -11.637 -9.258 1.00 15.53 C ATOM 1226 CE LYS A 82 -5.037 -12.356 -10.605 1.00 45.22 C ATOM 1227 NZ LYS A 82 -6.369 -13.012 -10.727 1.00 24.44 N ATOM 0 H LYS A 82 -4.300 -14.893 -5.773 1.00 13.34 H new ATOM 0 HA LYS A 82 -4.311 -12.272 -4.634 1.00 62.32 H new ATOM 0 HB2 LYS A 82 -5.488 -11.142 -6.547 1.00 55.44 H new ATOM 0 HB3 LYS A 82 -3.764 -11.370 -6.763 1.00 55.44 H new ATOM 0 HG2 LYS A 82 -4.269 -13.417 -8.181 1.00 71.33 H new ATOM 0 HG3 LYS A 82 -5.975 -13.041 -8.046 1.00 71.33 H new ATOM 0 HD2 LYS A 82 -5.615 -10.854 -9.167 1.00 15.53 H new ATOM 0 HD3 LYS A 82 -3.888 -11.148 -9.234 1.00 15.53 H new ATOM 0 HE2 LYS A 82 -4.912 -11.639 -11.416 1.00 45.22 H new ATOM 0 HE3 LYS A 82 -4.254 -13.105 -10.719 1.00 45.22 H new ATOM 0 HZ1 LYS A 82 -6.680 -12.985 -11.719 1.00 24.44 H new ATOM 0 HZ2 LYS A 82 -6.299 -14.001 -10.413 1.00 24.44 H new ATOM 0 HZ3 LYS A 82 -7.060 -12.508 -10.134 1.00 24.44 H new ATOM 1241 N PHE A 83 -7.012 -12.456 -4.791 1.00 34.44 N ATOM 1242 CA PHE A 83 -8.396 -12.783 -4.402 1.00 70.14 C ATOM 1243 C PHE A 83 -9.364 -11.692 -4.884 1.00 32.22 C ATOM 1244 O PHE A 83 -8.945 -10.676 -5.445 1.00 61.22 O ATOM 1245 CB PHE A 83 -8.505 -13.024 -2.860 1.00 10.31 C ATOM 1246 CG PHE A 83 -8.035 -11.870 -1.960 1.00 64.12 C ATOM 1247 CD1 PHE A 83 -6.699 -11.752 -1.593 1.00 71.13 C ATOM 1248 CD2 PHE A 83 -8.933 -10.926 -1.461 1.00 31.24 C ATOM 1249 CE1 PHE A 83 -6.277 -10.733 -0.762 1.00 14.02 C ATOM 1250 CE2 PHE A 83 -8.510 -9.903 -0.635 1.00 34.43 C ATOM 1251 CZ PHE A 83 -7.181 -9.807 -0.284 1.00 13.41 C ATOM 0 H PHE A 83 -6.818 -11.455 -4.796 1.00 34.44 H new ATOM 0 HA PHE A 83 -8.682 -13.714 -4.890 1.00 70.14 H new ATOM 0 HB2 PHE A 83 -9.545 -13.244 -2.620 1.00 10.31 H new ATOM 0 HB3 PHE A 83 -7.925 -13.912 -2.610 1.00 10.31 H new ATOM 0 HD1 PHE A 83 -5.980 -12.468 -1.963 1.00 71.13 H new ATOM 0 HD2 PHE A 83 -9.978 -10.996 -1.725 1.00 31.24 H new ATOM 0 HE1 PHE A 83 -5.236 -10.661 -0.485 1.00 14.02 H new ATOM 0 HE2 PHE A 83 -9.220 -9.179 -0.264 1.00 34.43 H new ATOM 0 HZ PHE A 83 -6.848 -9.009 0.363 1.00 13.41 H new ATOM 1261 N GLU A 84 -10.667 -11.940 -4.710 1.00 13.25 N ATOM 1262 CA GLU A 84 -11.725 -10.979 -5.076 1.00 73.21 C ATOM 1263 C GLU A 84 -12.011 -10.027 -3.897 1.00 3.53 C ATOM 1264 O GLU A 84 -11.694 -10.339 -2.741 1.00 50.40 O ATOM 1265 CB GLU A 84 -13.010 -11.729 -5.527 1.00 13.31 C ATOM 1266 CG GLU A 84 -13.670 -12.607 -4.449 1.00 1.15 C ATOM 1267 CD GLU A 84 -14.900 -13.368 -4.979 1.00 44.40 C ATOM 1268 OE1 GLU A 84 -15.987 -12.763 -5.082 1.00 5.02 O ATOM 1269 OE2 GLU A 84 -14.777 -14.561 -5.330 1.00 0.01 O ATOM 0 H GLU A 84 -11.022 -12.810 -4.313 1.00 13.25 H new ATOM 0 HA GLU A 84 -11.382 -10.377 -5.918 1.00 73.21 H new ATOM 0 HB2 GLU A 84 -13.738 -10.994 -5.870 1.00 13.31 H new ATOM 0 HB3 GLU A 84 -12.763 -12.357 -6.383 1.00 13.31 H new ATOM 0 HG2 GLU A 84 -12.940 -13.322 -4.070 1.00 1.15 H new ATOM 0 HG3 GLU A 84 -13.969 -11.981 -3.608 1.00 1.15 H new ATOM 1276 N ASP A 85 -12.604 -8.866 -4.218 1.00 61.22 N ATOM 1277 CA ASP A 85 -12.952 -7.810 -3.245 1.00 3.54 C ATOM 1278 C ASP A 85 -13.947 -8.361 -2.203 1.00 1.40 C ATOM 1279 O ASP A 85 -15.037 -8.811 -2.567 1.00 64.30 O ATOM 1280 CB ASP A 85 -13.555 -6.580 -3.991 1.00 74.25 C ATOM 1281 CG ASP A 85 -12.679 -6.099 -5.168 1.00 71.31 C ATOM 1282 OD1 ASP A 85 -11.530 -5.712 -4.929 1.00 52.51 O ATOM 1283 OD2 ASP A 85 -13.133 -6.139 -6.336 1.00 52.12 O ATOM 0 H ASP A 85 -12.861 -8.628 -5.176 1.00 61.22 H new ATOM 0 HA ASP A 85 -12.051 -7.489 -2.723 1.00 3.54 H new ATOM 0 HB2 ASP A 85 -14.546 -6.839 -4.365 1.00 74.25 H new ATOM 0 HB3 ASP A 85 -13.685 -5.761 -3.284 1.00 74.25 H new ATOM 1288 N GLU A 86 -13.535 -8.360 -0.920 1.00 24.10 N ATOM 1289 CA GLU A 86 -14.325 -8.948 0.183 1.00 0.11 C ATOM 1290 C GLU A 86 -15.627 -8.154 0.422 1.00 23.31 C ATOM 1291 O GLU A 86 -16.736 -8.696 0.311 1.00 50.14 O ATOM 1292 CB GLU A 86 -13.465 -9.024 1.485 1.00 61.21 C ATOM 1293 CG GLU A 86 -14.200 -9.589 2.737 1.00 13.01 C ATOM 1294 CD GLU A 86 -14.861 -10.965 2.504 1.00 61.53 C ATOM 1295 OE1 GLU A 86 -14.186 -11.879 1.979 1.00 63.31 O ATOM 1296 OE2 GLU A 86 -16.054 -11.146 2.842 1.00 43.42 O ATOM 0 H GLU A 86 -12.649 -7.954 -0.619 1.00 24.10 H new ATOM 0 HA GLU A 86 -14.608 -9.961 -0.101 1.00 0.11 H new ATOM 0 HB2 GLU A 86 -12.590 -9.644 1.287 1.00 61.21 H new ATOM 0 HB3 GLU A 86 -13.101 -8.024 1.719 1.00 61.21 H new ATOM 0 HG2 GLU A 86 -13.488 -9.673 3.558 1.00 13.01 H new ATOM 0 HG3 GLU A 86 -14.964 -8.878 3.050 1.00 13.01 H new ATOM 1303 N ASN A 87 -15.469 -6.865 0.728 1.00 12.13 N ATOM 1304 CA ASN A 87 -16.585 -5.945 0.990 1.00 70.32 C ATOM 1305 C ASN A 87 -16.256 -4.563 0.419 1.00 70.14 C ATOM 1306 O ASN A 87 -15.252 -4.402 -0.282 1.00 35.42 O ATOM 1307 CB ASN A 87 -16.912 -5.893 2.512 1.00 71.40 C ATOM 1308 CG ASN A 87 -15.716 -5.598 3.423 1.00 65.33 C ATOM 1309 OD1 ASN A 87 -14.750 -4.967 3.024 1.00 15.03 O ATOM 1310 ND2 ASN A 87 -15.785 -6.039 4.672 1.00 74.32 N ATOM 0 H ASN A 87 -14.553 -6.422 0.803 1.00 12.13 H new ATOM 0 HA ASN A 87 -17.482 -6.309 0.490 1.00 70.32 H new ATOM 0 HB2 ASN A 87 -17.673 -5.131 2.679 1.00 71.40 H new ATOM 0 HB3 ASN A 87 -17.347 -6.848 2.807 1.00 71.40 H new ATOM 0 HD21 ASN A 87 -15.021 -5.853 5.322 1.00 74.32 H new ATOM 0 HD22 ASN A 87 -16.602 -6.564 4.983 1.00 74.32 H new ATOM 1317 N PHE A 88 -17.135 -3.581 0.682 1.00 23.52 N ATOM 1318 CA PHE A 88 -16.980 -2.191 0.196 1.00 42.02 C ATOM 1319 C PHE A 88 -17.311 -1.204 1.329 1.00 34.01 C ATOM 1320 O PHE A 88 -17.937 -0.158 1.107 1.00 13.20 O ATOM 1321 CB PHE A 88 -17.898 -1.972 -1.045 1.00 75.25 C ATOM 1322 CG PHE A 88 -17.546 -2.876 -2.226 1.00 51.43 C ATOM 1323 CD1 PHE A 88 -16.380 -2.654 -2.958 1.00 12.52 C ATOM 1324 CD2 PHE A 88 -18.351 -3.963 -2.578 1.00 44.44 C ATOM 1325 CE1 PHE A 88 -16.031 -3.483 -4.003 1.00 2.41 C ATOM 1326 CE2 PHE A 88 -18.002 -4.789 -3.629 1.00 13.45 C ATOM 1327 CZ PHE A 88 -16.842 -4.548 -4.338 1.00 32.32 C ATOM 0 H PHE A 88 -17.977 -3.725 1.239 1.00 23.52 H new ATOM 0 HA PHE A 88 -15.949 -2.013 -0.109 1.00 42.02 H new ATOM 0 HB2 PHE A 88 -18.934 -2.149 -0.757 1.00 75.25 H new ATOM 0 HB3 PHE A 88 -17.828 -0.931 -1.360 1.00 75.25 H new ATOM 0 HD1 PHE A 88 -15.741 -1.821 -2.703 1.00 12.52 H new ATOM 0 HD2 PHE A 88 -19.256 -4.159 -2.022 1.00 44.44 H new ATOM 0 HE1 PHE A 88 -15.124 -3.299 -4.559 1.00 2.41 H new ATOM 0 HE2 PHE A 88 -18.636 -5.622 -3.896 1.00 13.45 H new ATOM 0 HZ PHE A 88 -16.568 -5.195 -5.158 1.00 32.32 H new ATOM 1337 N ILE A 89 -16.870 -1.558 2.552 1.00 41.40 N ATOM 1338 CA ILE A 89 -17.111 -0.755 3.768 1.00 44.23 C ATOM 1339 C ILE A 89 -16.315 0.566 3.724 1.00 42.11 C ATOM 1340 O ILE A 89 -16.888 1.658 3.725 1.00 32.11 O ATOM 1341 CB ILE A 89 -16.729 -1.559 5.079 1.00 23.14 C ATOM 1342 CG1 ILE A 89 -17.613 -2.837 5.235 1.00 73.45 C ATOM 1343 CG2 ILE A 89 -16.819 -0.666 6.342 1.00 74.42 C ATOM 1344 CD1 ILE A 89 -17.334 -3.664 6.489 1.00 41.24 C ATOM 0 H ILE A 89 -16.336 -2.410 2.725 1.00 41.40 H new ATOM 0 HA ILE A 89 -18.177 -0.529 3.796 1.00 44.23 H new ATOM 0 HB ILE A 89 -15.692 -1.877 4.974 1.00 23.14 H new ATOM 0 HG12 ILE A 89 -18.661 -2.537 5.241 1.00 73.45 H new ATOM 0 HG13 ILE A 89 -17.468 -3.471 4.360 1.00 73.45 H new ATOM 0 HG21 ILE A 89 -16.550 -1.251 7.221 1.00 74.42 H new ATOM 0 HG22 ILE A 89 -16.133 0.175 6.242 1.00 74.42 H new ATOM 0 HG23 ILE A 89 -17.837 -0.293 6.452 1.00 74.42 H new ATOM 0 HD11 ILE A 89 -17.996 -4.530 6.509 1.00 41.24 H new ATOM 0 HD12 ILE A 89 -16.297 -4.000 6.480 1.00 41.24 H new ATOM 0 HD13 ILE A 89 -17.509 -3.053 7.374 1.00 41.24 H new ATOM 1356 N LEU A 90 -14.991 0.437 3.683 1.00 24.10 N ATOM 1357 CA LEU A 90 -14.064 1.565 3.813 1.00 1.11 C ATOM 1358 C LEU A 90 -13.795 2.205 2.446 1.00 62.04 C ATOM 1359 O LEU A 90 -13.640 1.504 1.437 1.00 62.20 O ATOM 1360 CB LEU A 90 -12.756 1.060 4.446 1.00 21.03 C ATOM 1361 CG LEU A 90 -12.884 0.370 5.834 1.00 23.14 C ATOM 1362 CD1 LEU A 90 -11.555 -0.262 6.262 1.00 13.20 C ATOM 1363 CD2 LEU A 90 -13.399 1.359 6.894 1.00 65.25 C ATOM 0 H LEU A 90 -14.524 -0.461 3.557 1.00 24.10 H new ATOM 0 HA LEU A 90 -14.506 2.329 4.452 1.00 1.11 H new ATOM 0 HB2 LEU A 90 -12.291 0.356 3.756 1.00 21.03 H new ATOM 0 HB3 LEU A 90 -12.075 1.905 4.546 1.00 21.03 H new ATOM 0 HG LEU A 90 -13.616 -0.433 5.744 1.00 23.14 H new ATOM 0 HD11 LEU A 90 -11.675 -0.737 7.236 1.00 13.20 H new ATOM 0 HD12 LEU A 90 -11.255 -1.010 5.528 1.00 13.20 H new ATOM 0 HD13 LEU A 90 -10.789 0.511 6.327 1.00 13.20 H new ATOM 0 HD21 LEU A 90 -13.480 0.852 7.856 1.00 65.25 H new ATOM 0 HD22 LEU A 90 -12.704 2.194 6.981 1.00 65.25 H new ATOM 0 HD23 LEU A 90 -14.379 1.733 6.597 1.00 65.25 H new ATOM 1375 N LYS A 91 -13.709 3.541 2.437 1.00 43.14 N ATOM 1376 CA LYS A 91 -13.577 4.351 1.218 1.00 53.12 C ATOM 1377 C LYS A 91 -12.345 5.266 1.320 1.00 35.41 C ATOM 1378 O LYS A 91 -11.761 5.431 2.399 1.00 2.11 O ATOM 1379 CB LYS A 91 -14.871 5.182 1.004 1.00 1.31 C ATOM 1380 CG LYS A 91 -16.176 4.349 0.958 1.00 34.32 C ATOM 1381 CD LYS A 91 -17.443 5.224 0.817 1.00 25.02 C ATOM 1382 CE LYS A 91 -17.498 6.000 -0.507 1.00 23.51 C ATOM 1383 NZ LYS A 91 -18.760 6.779 -0.638 1.00 24.31 N ATOM 0 H LYS A 91 -13.729 4.099 3.290 1.00 43.14 H new ATOM 0 HA LYS A 91 -13.438 3.695 0.359 1.00 53.12 H new ATOM 0 HB2 LYS A 91 -14.952 5.915 1.806 1.00 1.31 H new ATOM 0 HB3 LYS A 91 -14.779 5.739 0.072 1.00 1.31 H new ATOM 0 HG2 LYS A 91 -16.127 3.652 0.121 1.00 34.32 H new ATOM 0 HG3 LYS A 91 -16.252 3.752 1.867 1.00 34.32 H new ATOM 0 HD2 LYS A 91 -18.326 4.589 0.896 1.00 25.02 H new ATOM 0 HD3 LYS A 91 -17.483 5.930 1.646 1.00 25.02 H new ATOM 0 HE2 LYS A 91 -16.645 6.676 -0.568 1.00 23.51 H new ATOM 0 HE3 LYS A 91 -17.412 5.303 -1.341 1.00 23.51 H new ATOM 0 HZ1 LYS A 91 -18.760 7.289 -1.544 1.00 24.31 H new ATOM 0 HZ2 LYS A 91 -19.573 6.131 -0.605 1.00 24.31 H new ATOM 0 HZ3 LYS A 91 -18.829 7.461 0.144 1.00 24.31 H new ATOM 1397 N HIS A 92 -11.982 5.881 0.189 1.00 43.43 N ATOM 1398 CA HIS A 92 -10.763 6.707 0.045 1.00 62.24 C ATOM 1399 C HIS A 92 -11.107 8.188 0.325 1.00 13.14 C ATOM 1400 O HIS A 92 -10.773 9.098 -0.447 1.00 50.12 O ATOM 1401 CB HIS A 92 -10.189 6.510 -1.377 1.00 12.14 C ATOM 1402 CG HIS A 92 -9.920 5.068 -1.730 1.00 1.21 C ATOM 1403 ND1 HIS A 92 -10.924 4.164 -2.040 1.00 52.44 N ATOM 1404 CD2 HIS A 92 -8.763 4.375 -1.831 1.00 22.21 C ATOM 1405 CE1 HIS A 92 -10.390 2.992 -2.310 1.00 44.43 C ATOM 1406 NE2 HIS A 92 -9.084 3.096 -2.191 1.00 15.34 N ATOM 0 H HIS A 92 -12.531 5.822 -0.669 1.00 43.43 H new ATOM 0 HA HIS A 92 -10.004 6.401 0.766 1.00 62.24 H new ATOM 0 HB2 HIS A 92 -10.888 6.928 -2.102 1.00 12.14 H new ATOM 0 HB3 HIS A 92 -9.261 7.075 -1.466 1.00 12.14 H new ATOM 0 HD2 HIS A 92 -7.769 4.761 -1.659 1.00 22.21 H new ATOM 0 HE1 HIS A 92 -10.931 2.098 -2.583 1.00 44.43 H new ATOM 0 HE2 HIS A 92 -8.416 2.341 -2.343 1.00 15.34 H new ATOM 1415 N THR A 93 -11.761 8.398 1.475 1.00 41.02 N ATOM 1416 CA THR A 93 -12.350 9.689 1.865 1.00 41.21 C ATOM 1417 C THR A 93 -11.330 10.635 2.526 1.00 63.42 C ATOM 1418 O THR A 93 -11.639 11.809 2.760 1.00 2.12 O ATOM 1419 CB THR A 93 -13.554 9.431 2.827 1.00 73.33 C ATOM 1420 OG1 THR A 93 -13.122 8.620 3.935 1.00 21.14 O ATOM 1421 CG2 THR A 93 -14.713 8.717 2.113 1.00 20.21 C ATOM 0 H THR A 93 -11.899 7.666 2.172 1.00 41.02 H new ATOM 0 HA THR A 93 -12.690 10.187 0.957 1.00 41.21 H new ATOM 0 HB THR A 93 -13.910 10.400 3.176 1.00 73.33 H new ATOM 0 HG1 THR A 93 -13.878 8.461 4.538 1.00 21.14 H new ATOM 0 HG21 THR A 93 -15.530 8.556 2.816 1.00 20.21 H new ATOM 0 HG22 THR A 93 -15.064 9.332 1.284 1.00 20.21 H new ATOM 0 HG23 THR A 93 -14.368 7.756 1.731 1.00 20.21 H new ATOM 1429 N GLY A 94 -10.109 10.135 2.797 1.00 12.13 N ATOM 1430 CA GLY A 94 -9.074 10.920 3.481 1.00 41.44 C ATOM 1431 C GLY A 94 -7.665 10.639 2.957 1.00 32.14 C ATOM 1432 O GLY A 94 -7.498 9.855 2.014 1.00 22.52 O ATOM 0 H GLY A 94 -9.819 9.189 2.550 1.00 12.13 H new ATOM 0 HA2 GLY A 94 -9.294 11.981 3.364 1.00 41.44 H new ATOM 0 HA3 GLY A 94 -9.108 10.703 4.549 1.00 41.44 H new ATOM 1436 N PRO A 95 -6.621 11.310 3.530 1.00 21.03 N ATOM 1437 CA PRO A 95 -5.204 11.057 3.188 1.00 64.54 C ATOM 1438 C PRO A 95 -4.616 9.838 3.949 1.00 35.15 C ATOM 1439 O PRO A 95 -5.138 9.427 4.997 1.00 23.40 O ATOM 1440 CB PRO A 95 -4.523 12.384 3.608 1.00 34.21 C ATOM 1441 CG PRO A 95 -5.313 12.851 4.796 1.00 3.31 C ATOM 1442 CD PRO A 95 -6.747 12.398 4.548 1.00 73.31 C ATOM 0 HA PRO A 95 -5.056 10.801 2.139 1.00 64.54 H new ATOM 0 HB2 PRO A 95 -3.475 12.229 3.864 1.00 34.21 H new ATOM 0 HB3 PRO A 95 -4.549 13.116 2.801 1.00 34.21 H new ATOM 0 HG2 PRO A 95 -4.922 12.422 5.718 1.00 3.31 H new ATOM 0 HG3 PRO A 95 -5.258 13.935 4.900 1.00 3.31 H new ATOM 0 HD2 PRO A 95 -7.213 12.034 5.464 1.00 73.31 H new ATOM 0 HD3 PRO A 95 -7.365 13.217 4.180 1.00 73.31 H new ATOM 1450 N GLY A 96 -3.536 9.271 3.387 1.00 23.30 N ATOM 1451 CA GLY A 96 -2.832 8.126 3.976 1.00 71.21 C ATOM 1452 C GLY A 96 -3.572 6.792 3.847 1.00 61.52 C ATOM 1453 O GLY A 96 -3.259 5.847 4.560 1.00 62.32 O ATOM 0 H GLY A 96 -3.128 9.596 2.510 1.00 23.30 H new ATOM 0 HA2 GLY A 96 -1.855 8.033 3.501 1.00 71.21 H new ATOM 0 HA3 GLY A 96 -2.655 8.328 5.032 1.00 71.21 H new ATOM 1457 N ILE A 97 -4.533 6.706 2.924 1.00 62.04 N ATOM 1458 CA ILE A 97 -5.445 5.544 2.806 1.00 52.41 C ATOM 1459 C ILE A 97 -4.776 4.331 2.084 1.00 13.34 C ATOM 1460 O ILE A 97 -4.546 4.362 0.871 1.00 71.10 O ATOM 1461 CB ILE A 97 -6.785 6.013 2.095 1.00 63.21 C ATOM 1462 CG1 ILE A 97 -7.667 6.851 3.082 1.00 70.03 C ATOM 1463 CG2 ILE A 97 -7.594 4.852 1.496 1.00 1.31 C ATOM 1464 CD1 ILE A 97 -8.154 6.093 4.313 1.00 45.14 C ATOM 0 H ILE A 97 -4.708 7.435 2.233 1.00 62.04 H new ATOM 0 HA ILE A 97 -5.685 5.180 3.805 1.00 52.41 H new ATOM 0 HB ILE A 97 -6.486 6.642 1.257 1.00 63.21 H new ATOM 0 HG12 ILE A 97 -7.094 7.718 3.411 1.00 70.03 H new ATOM 0 HG13 ILE A 97 -8.534 7.229 2.540 1.00 70.03 H new ATOM 0 HG21 ILE A 97 -8.497 5.242 1.026 1.00 1.31 H new ATOM 0 HG22 ILE A 97 -6.991 4.335 0.750 1.00 1.31 H new ATOM 0 HG23 ILE A 97 -7.869 4.154 2.287 1.00 1.31 H new ATOM 0 HD11 ILE A 97 -8.755 6.756 4.934 1.00 45.14 H new ATOM 0 HD12 ILE A 97 -8.758 5.242 4.000 1.00 45.14 H new ATOM 0 HD13 ILE A 97 -7.296 5.739 4.885 1.00 45.14 H new ATOM 1476 N LEU A 98 -4.461 3.260 2.856 1.00 14.31 N ATOM 1477 CA LEU A 98 -3.901 1.992 2.314 1.00 65.11 C ATOM 1478 C LEU A 98 -5.023 1.035 1.878 1.00 55.21 C ATOM 1479 O LEU A 98 -5.794 0.557 2.706 1.00 74.20 O ATOM 1480 CB LEU A 98 -3.002 1.242 3.347 1.00 43.53 C ATOM 1481 CG LEU A 98 -1.587 1.833 3.627 1.00 52.34 C ATOM 1482 CD1 LEU A 98 -1.660 3.103 4.485 1.00 31.25 C ATOM 1483 CD2 LEU A 98 -0.648 0.771 4.249 1.00 51.21 C ATOM 0 H LEU A 98 -4.587 3.249 3.868 1.00 14.31 H new ATOM 0 HA LEU A 98 -3.290 2.281 1.459 1.00 65.11 H new ATOM 0 HB2 LEU A 98 -3.542 1.197 4.293 1.00 43.53 H new ATOM 0 HB3 LEU A 98 -2.876 0.216 3.002 1.00 43.53 H new ATOM 0 HG LEU A 98 -1.159 2.125 2.668 1.00 52.34 H new ATOM 0 HD11 LEU A 98 -0.653 3.484 4.658 1.00 31.25 H new ATOM 0 HD12 LEU A 98 -2.250 3.859 3.967 1.00 31.25 H new ATOM 0 HD13 LEU A 98 -2.129 2.870 5.441 1.00 31.25 H new ATOM 0 HD21 LEU A 98 0.331 1.214 4.433 1.00 51.21 H new ATOM 0 HD22 LEU A 98 -1.070 0.419 5.191 1.00 51.21 H new ATOM 0 HD23 LEU A 98 -0.543 -0.069 3.562 1.00 51.21 H new ATOM 1495 N SER A 99 -5.056 0.711 0.588 1.00 63.53 N ATOM 1496 CA SER A 99 -5.972 -0.293 0.011 1.00 13.23 C ATOM 1497 C SER A 99 -5.196 -1.110 -1.035 1.00 44.41 C ATOM 1498 O SER A 99 -4.345 -0.553 -1.727 1.00 74.40 O ATOM 1499 CB SER A 99 -7.223 0.400 -0.579 1.00 11.05 C ATOM 1500 OG SER A 99 -6.893 1.619 -1.208 1.00 21.34 O ATOM 0 H SER A 99 -4.441 1.140 -0.104 1.00 63.53 H new ATOM 0 HA SER A 99 -6.334 -0.976 0.779 1.00 13.23 H new ATOM 0 HB2 SER A 99 -7.702 -0.264 -1.299 1.00 11.05 H new ATOM 0 HB3 SER A 99 -7.946 0.584 0.215 1.00 11.05 H new ATOM 0 HG SER A 99 -6.628 1.447 -2.136 1.00 21.34 H new ATOM 1506 N MET A 100 -5.477 -2.430 -1.138 1.00 75.14 N ATOM 1507 CA MET A 100 -4.671 -3.355 -1.975 1.00 31.44 C ATOM 1508 C MET A 100 -5.023 -3.152 -3.457 1.00 45.31 C ATOM 1509 O MET A 100 -6.201 -2.974 -3.788 1.00 1.22 O ATOM 1510 CB MET A 100 -4.888 -4.845 -1.554 1.00 65.31 C ATOM 1511 CG MET A 100 -4.679 -5.119 -0.055 1.00 55.22 C ATOM 1512 SD MET A 100 -4.552 -6.872 0.373 1.00 52.11 S ATOM 1513 CE MET A 100 -2.851 -7.241 -0.075 1.00 24.23 C ATOM 0 H MET A 100 -6.254 -2.880 -0.654 1.00 75.14 H new ATOM 0 HA MET A 100 -3.616 -3.126 -1.823 1.00 31.44 H new ATOM 0 HB2 MET A 100 -5.900 -5.143 -1.828 1.00 65.31 H new ATOM 0 HB3 MET A 100 -4.205 -5.474 -2.125 1.00 65.31 H new ATOM 0 HG2 MET A 100 -3.772 -4.611 0.272 1.00 55.22 H new ATOM 0 HG3 MET A 100 -5.508 -4.681 0.501 1.00 55.22 H new ATOM 0 HE1 MET A 100 -2.638 -8.289 0.137 1.00 24.23 H new ATOM 0 HE2 MET A 100 -2.705 -7.049 -1.138 1.00 24.23 H new ATOM 0 HE3 MET A 100 -2.177 -6.610 0.504 1.00 24.23 H new ATOM 1523 N ALA A 101 -3.999 -3.166 -4.334 1.00 75.13 N ATOM 1524 CA ALA A 101 -4.159 -2.782 -5.755 1.00 31.31 C ATOM 1525 C ALA A 101 -4.855 -3.883 -6.563 1.00 23.12 C ATOM 1526 O ALA A 101 -4.876 -5.058 -6.164 1.00 33.54 O ATOM 1527 CB ALA A 101 -2.802 -2.403 -6.380 1.00 51.54 C ATOM 0 H ALA A 101 -3.049 -3.440 -4.084 1.00 75.13 H new ATOM 0 HA ALA A 101 -4.802 -1.902 -5.788 1.00 31.31 H new ATOM 0 HB1 ALA A 101 -2.947 -2.125 -7.424 1.00 51.54 H new ATOM 0 HB2 ALA A 101 -2.374 -1.561 -5.836 1.00 51.54 H new ATOM 0 HB3 ALA A 101 -2.124 -3.255 -6.322 1.00 51.54 H new ATOM 1533 N ASN A 102 -5.440 -3.469 -7.696 1.00 2.33 N ATOM 1534 CA ASN A 102 -6.167 -4.356 -8.602 1.00 33.23 C ATOM 1535 C ASN A 102 -6.333 -3.688 -9.976 1.00 15.32 C ATOM 1536 O ASN A 102 -6.157 -2.472 -10.121 1.00 74.34 O ATOM 1537 CB ASN A 102 -7.564 -4.735 -8.015 1.00 34.13 C ATOM 1538 CG ASN A 102 -8.593 -3.594 -7.992 1.00 74.43 C ATOM 1539 OD1 ASN A 102 -8.256 -2.412 -7.909 1.00 63.41 O ATOM 1540 ND2 ASN A 102 -9.865 -3.950 -8.059 1.00 32.30 N ATOM 0 H ASN A 102 -5.419 -2.498 -8.008 1.00 2.33 H new ATOM 0 HA ASN A 102 -5.588 -5.272 -8.719 1.00 33.23 H new ATOM 0 HB2 ASN A 102 -7.973 -5.561 -8.597 1.00 34.13 H new ATOM 0 HB3 ASN A 102 -7.426 -5.100 -6.997 1.00 34.13 H new ATOM 0 HD21 ASN A 102 -10.595 -3.238 -8.043 1.00 32.30 H new ATOM 0 HD22 ASN A 102 -10.116 -4.936 -8.127 1.00 32.30 H new ATOM 1547 N ALA A 103 -6.657 -4.508 -10.974 1.00 61.12 N ATOM 1548 CA ALA A 103 -7.075 -4.058 -12.313 1.00 22.14 C ATOM 1549 C ALA A 103 -8.599 -4.212 -12.474 1.00 75.54 C ATOM 1550 O ALA A 103 -9.156 -3.910 -13.533 1.00 70.55 O ATOM 1551 CB ALA A 103 -6.318 -4.860 -13.385 1.00 51.23 C ATOM 0 H ALA A 103 -6.638 -5.523 -10.879 1.00 61.12 H new ATOM 0 HA ALA A 103 -6.832 -3.003 -12.435 1.00 22.14 H new ATOM 0 HB1 ALA A 103 -6.628 -4.526 -14.375 1.00 51.23 H new ATOM 0 HB2 ALA A 103 -5.246 -4.702 -13.268 1.00 51.23 H new ATOM 0 HB3 ALA A 103 -6.543 -5.921 -13.272 1.00 51.23 H new ATOM 1557 N GLY A 104 -9.260 -4.676 -11.399 1.00 61.14 N ATOM 1558 CA GLY A 104 -10.699 -4.917 -11.389 1.00 61.10 C ATOM 1559 C GLY A 104 -11.067 -6.057 -10.447 1.00 60.42 C ATOM 1560 O GLY A 104 -10.243 -6.431 -9.594 1.00 41.51 O ATOM 0 H GLY A 104 -8.802 -4.893 -10.514 1.00 61.14 H new ATOM 0 HA2 GLY A 104 -11.219 -4.009 -11.084 1.00 61.10 H new ATOM 0 HA3 GLY A 104 -11.036 -5.154 -12.398 1.00 61.10 H new ATOM 1564 N PRO A 105 -12.308 -6.623 -10.557 1.00 32.25 N ATOM 1565 CA PRO A 105 -12.745 -7.796 -9.752 1.00 4.33 C ATOM 1566 C PRO A 105 -11.811 -9.027 -9.925 1.00 75.14 C ATOM 1567 O PRO A 105 -11.291 -9.261 -11.026 1.00 43.03 O ATOM 1568 CB PRO A 105 -14.179 -8.084 -10.287 1.00 62.03 C ATOM 1569 CG PRO A 105 -14.637 -6.777 -10.866 1.00 22.32 C ATOM 1570 CD PRO A 105 -13.396 -6.145 -11.458 1.00 23.45 C ATOM 0 HA PRO A 105 -12.717 -7.593 -8.681 1.00 4.33 H new ATOM 0 HB2 PRO A 105 -14.170 -8.870 -11.042 1.00 62.03 H new ATOM 0 HB3 PRO A 105 -14.841 -8.417 -9.488 1.00 62.03 H new ATOM 0 HG2 PRO A 105 -15.401 -6.931 -11.628 1.00 22.32 H new ATOM 0 HG3 PRO A 105 -15.075 -6.139 -10.099 1.00 22.32 H new ATOM 0 HD2 PRO A 105 -13.235 -6.463 -12.488 1.00 23.45 H new ATOM 0 HD3 PRO A 105 -13.463 -5.057 -11.467 1.00 23.45 H new ATOM 1578 N ASN A 106 -11.579 -9.757 -8.805 1.00 71.05 N ATOM 1579 CA ASN A 106 -10.725 -10.982 -8.739 1.00 20.00 C ATOM 1580 C ASN A 106 -9.217 -10.664 -8.956 1.00 73.24 C ATOM 1581 O ASN A 106 -8.386 -11.572 -9.092 1.00 33.42 O ATOM 1582 CB ASN A 106 -11.244 -12.079 -9.731 1.00 5.21 C ATOM 1583 CG ASN A 106 -10.586 -13.463 -9.573 1.00 25.35 C ATOM 1584 OD1 ASN A 106 -10.128 -13.836 -8.490 1.00 64.03 O ATOM 1585 ND2 ASN A 106 -10.563 -14.243 -10.647 1.00 42.25 N ATOM 0 H ASN A 106 -11.986 -9.510 -7.903 1.00 71.05 H new ATOM 0 HA ASN A 106 -10.807 -11.383 -7.729 1.00 20.00 H new ATOM 0 HB2 ASN A 106 -12.320 -12.188 -9.598 1.00 5.21 H new ATOM 0 HB3 ASN A 106 -11.082 -11.731 -10.751 1.00 5.21 H new ATOM 0 HD21 ASN A 106 -10.159 -15.178 -10.590 1.00 42.25 H new ATOM 0 HD22 ASN A 106 -10.949 -13.907 -11.529 1.00 42.25 H new ATOM 1592 N THR A 107 -8.850 -9.367 -8.958 1.00 12.13 N ATOM 1593 CA THR A 107 -7.448 -8.937 -9.117 1.00 41.12 C ATOM 1594 C THR A 107 -6.924 -8.277 -7.815 1.00 64.51 C ATOM 1595 O THR A 107 -5.767 -7.867 -7.735 1.00 63.43 O ATOM 1596 CB THR A 107 -7.309 -7.963 -10.338 1.00 2.01 C ATOM 1597 OG1 THR A 107 -8.159 -8.393 -11.418 1.00 30.43 O ATOM 1598 CG2 THR A 107 -5.859 -7.884 -10.863 1.00 74.35 C ATOM 0 H THR A 107 -9.509 -8.596 -8.851 1.00 12.13 H new ATOM 0 HA THR A 107 -6.837 -9.818 -9.314 1.00 41.12 H new ATOM 0 HB THR A 107 -7.605 -6.975 -9.984 1.00 2.01 H new ATOM 0 HG1 THR A 107 -8.065 -7.776 -12.174 1.00 30.43 H new ATOM 0 HG21 THR A 107 -5.815 -7.197 -11.708 1.00 74.35 H new ATOM 0 HG22 THR A 107 -5.204 -7.525 -10.069 1.00 74.35 H new ATOM 0 HG23 THR A 107 -5.533 -8.874 -11.183 1.00 74.35 H new ATOM 1606 N ASN A 108 -7.793 -8.208 -6.787 1.00 52.14 N ATOM 1607 CA ASN A 108 -7.480 -7.575 -5.485 1.00 30.35 C ATOM 1608 C ASN A 108 -6.469 -8.427 -4.693 1.00 3.43 C ATOM 1609 O ASN A 108 -6.357 -9.629 -4.912 1.00 33.32 O ATOM 1610 CB ASN A 108 -8.793 -7.395 -4.684 1.00 74.25 C ATOM 1611 CG ASN A 108 -8.642 -6.634 -3.354 1.00 20.24 C ATOM 1612 OD1 ASN A 108 -7.801 -5.745 -3.212 1.00 52.11 O ATOM 1613 ND2 ASN A 108 -9.462 -6.978 -2.373 1.00 5.55 N ATOM 0 H ASN A 108 -8.737 -8.591 -6.834 1.00 52.14 H new ATOM 0 HA ASN A 108 -7.025 -6.600 -5.657 1.00 30.35 H new ATOM 0 HB2 ASN A 108 -9.513 -6.866 -5.309 1.00 74.25 H new ATOM 0 HB3 ASN A 108 -9.213 -8.379 -4.477 1.00 74.25 H new ATOM 0 HD21 ASN A 108 -9.407 -6.503 -1.472 1.00 5.55 H new ATOM 0 HD22 ASN A 108 -10.149 -7.718 -2.518 1.00 5.55 H new ATOM 1620 N GLY A 109 -5.727 -7.788 -3.784 1.00 52.22 N ATOM 1621 CA GLY A 109 -4.742 -8.483 -2.947 1.00 43.52 C ATOM 1622 C GLY A 109 -3.357 -8.545 -3.565 1.00 2.43 C ATOM 1623 O GLY A 109 -2.437 -9.132 -2.980 1.00 52.34 O ATOM 0 H GLY A 109 -5.790 -6.785 -3.608 1.00 52.22 H new ATOM 0 HA2 GLY A 109 -4.678 -7.980 -1.982 1.00 43.52 H new ATOM 0 HA3 GLY A 109 -5.091 -9.498 -2.756 1.00 43.52 H new ATOM 1627 N SER A 110 -3.223 -7.955 -4.759 1.00 65.23 N ATOM 1628 CA SER A 110 -1.946 -7.797 -5.445 1.00 23.12 C ATOM 1629 C SER A 110 -1.461 -6.363 -5.218 1.00 44.55 C ATOM 1630 O SER A 110 -2.174 -5.429 -5.579 1.00 1.22 O ATOM 1631 CB SER A 110 -2.149 -8.084 -6.946 1.00 14.42 C ATOM 1632 OG SER A 110 -3.093 -7.211 -7.558 1.00 42.34 O ATOM 0 H SER A 110 -4.012 -7.571 -5.278 1.00 65.23 H new ATOM 0 HA SER A 110 -1.199 -8.492 -5.061 1.00 23.12 H new ATOM 0 HB2 SER A 110 -1.192 -7.993 -7.460 1.00 14.42 H new ATOM 0 HB3 SER A 110 -2.481 -9.115 -7.071 1.00 14.42 H new ATOM 0 HG SER A 110 -3.981 -7.625 -7.539 1.00 42.34 H new ATOM 1638 N GLN A 111 -0.265 -6.191 -4.603 1.00 44.23 N ATOM 1639 CA GLN A 111 0.281 -4.857 -4.217 1.00 25.12 C ATOM 1640 C GLN A 111 -0.626 -4.142 -3.173 1.00 60.24 C ATOM 1641 O GLN A 111 -1.691 -4.643 -2.790 1.00 75.53 O ATOM 1642 CB GLN A 111 0.491 -3.931 -5.464 1.00 33.41 C ATOM 1643 CG GLN A 111 1.507 -4.442 -6.492 1.00 32.30 C ATOM 1644 CD GLN A 111 1.579 -3.582 -7.747 1.00 0.33 C ATOM 1645 OE1 GLN A 111 2.327 -2.604 -7.811 1.00 65.33 O ATOM 1646 NE2 GLN A 111 0.798 -3.925 -8.755 1.00 33.34 N ATOM 0 H GLN A 111 0.350 -6.968 -4.359 1.00 44.23 H new ATOM 0 HA GLN A 111 1.253 -5.043 -3.759 1.00 25.12 H new ATOM 0 HB2 GLN A 111 -0.469 -3.796 -5.962 1.00 33.41 H new ATOM 0 HB3 GLN A 111 0.812 -2.949 -5.117 1.00 33.41 H new ATOM 0 HG2 GLN A 111 2.493 -4.481 -6.029 1.00 32.30 H new ATOM 0 HG3 GLN A 111 1.247 -5.462 -6.774 1.00 32.30 H new ATOM 0 HE21 GLN A 111 0.189 -4.739 -8.674 1.00 33.34 H new ATOM 0 HE22 GLN A 111 0.804 -3.376 -9.614 1.00 33.34 H new ATOM 1655 N PHE A 112 -0.177 -2.966 -2.713 1.00 70.52 N ATOM 1656 CA PHE A 112 -0.954 -2.071 -1.841 1.00 72.41 C ATOM 1657 C PHE A 112 -0.570 -0.629 -2.180 1.00 22.40 C ATOM 1658 O PHE A 112 0.616 -0.322 -2.333 1.00 61.53 O ATOM 1659 CB PHE A 112 -0.707 -2.393 -0.329 1.00 4.01 C ATOM 1660 CG PHE A 112 0.744 -2.207 0.159 1.00 41.53 C ATOM 1661 CD1 PHE A 112 1.730 -3.159 -0.131 1.00 31.23 C ATOM 1662 CD2 PHE A 112 1.120 -1.076 0.899 1.00 41.52 C ATOM 1663 CE1 PHE A 112 3.035 -2.986 0.302 1.00 42.20 C ATOM 1664 CE2 PHE A 112 2.425 -0.909 1.328 1.00 20.24 C ATOM 1665 CZ PHE A 112 3.380 -1.862 1.030 1.00 40.20 C ATOM 0 H PHE A 112 0.749 -2.604 -2.939 1.00 70.52 H new ATOM 0 HA PHE A 112 -2.020 -2.217 -2.014 1.00 72.41 H new ATOM 0 HB2 PHE A 112 -1.358 -1.758 0.271 1.00 4.01 H new ATOM 0 HB3 PHE A 112 -1.006 -3.424 -0.141 1.00 4.01 H new ATOM 0 HD1 PHE A 112 1.470 -4.039 -0.700 1.00 31.23 H new ATOM 0 HD2 PHE A 112 0.381 -0.325 1.137 1.00 41.52 H new ATOM 0 HE1 PHE A 112 3.783 -3.730 0.071 1.00 42.20 H new ATOM 0 HE2 PHE A 112 2.697 -0.032 1.897 1.00 20.24 H new ATOM 0 HZ PHE A 112 4.398 -1.729 1.366 1.00 40.20 H new ATOM 1675 N PHE A 113 -1.565 0.250 -2.332 1.00 44.11 N ATOM 1676 CA PHE A 113 -1.335 1.666 -2.622 1.00 5.24 C ATOM 1677 C PHE A 113 -1.781 2.539 -1.448 1.00 70.31 C ATOM 1678 O PHE A 113 -2.862 2.342 -0.875 1.00 2.12 O ATOM 1679 CB PHE A 113 -2.020 2.097 -3.944 1.00 1.33 C ATOM 1680 CG PHE A 113 -3.525 1.852 -4.065 1.00 71.34 C ATOM 1681 CD1 PHE A 113 -4.440 2.803 -3.639 1.00 34.55 C ATOM 1682 CD2 PHE A 113 -4.016 0.683 -4.631 1.00 24.20 C ATOM 1683 CE1 PHE A 113 -5.788 2.602 -3.772 1.00 52.21 C ATOM 1684 CE2 PHE A 113 -5.375 0.482 -4.767 1.00 55.51 C ATOM 1685 CZ PHE A 113 -6.259 1.444 -4.336 1.00 42.23 C ATOM 0 H PHE A 113 -2.551 -0.001 -2.257 1.00 44.11 H new ATOM 0 HA PHE A 113 -0.263 1.809 -2.758 1.00 5.24 H new ATOM 0 HB2 PHE A 113 -1.839 3.162 -4.086 1.00 1.33 H new ATOM 0 HB3 PHE A 113 -1.526 1.577 -4.765 1.00 1.33 H new ATOM 0 HD1 PHE A 113 -4.083 3.720 -3.194 1.00 34.55 H new ATOM 0 HD2 PHE A 113 -3.327 -0.077 -4.969 1.00 24.20 H new ATOM 0 HE1 PHE A 113 -6.482 3.357 -3.432 1.00 52.21 H new ATOM 0 HE2 PHE A 113 -5.744 -0.430 -5.212 1.00 55.51 H new ATOM 0 HZ PHE A 113 -7.322 1.288 -4.442 1.00 42.23 H new ATOM 1695 N ILE A 114 -0.913 3.495 -1.098 1.00 30.25 N ATOM 1696 CA ILE A 114 -1.160 4.486 -0.056 1.00 70.42 C ATOM 1697 C ILE A 114 -1.592 5.794 -0.736 1.00 51.23 C ATOM 1698 O ILE A 114 -0.748 6.517 -1.284 1.00 22.40 O ATOM 1699 CB ILE A 114 0.136 4.756 0.805 1.00 32.32 C ATOM 1700 CG1 ILE A 114 0.828 3.420 1.231 1.00 61.42 C ATOM 1701 CG2 ILE A 114 -0.207 5.634 2.030 1.00 43.13 C ATOM 1702 CD1 ILE A 114 2.159 3.591 1.952 1.00 44.24 C ATOM 0 H ILE A 114 -0.001 3.600 -1.543 1.00 30.25 H new ATOM 0 HA ILE A 114 -1.935 4.111 0.613 1.00 70.42 H new ATOM 0 HB ILE A 114 0.850 5.300 0.187 1.00 32.32 H new ATOM 0 HG12 ILE A 114 0.149 2.866 1.879 1.00 61.42 H new ATOM 0 HG13 ILE A 114 0.988 2.811 0.342 1.00 61.42 H new ATOM 0 HG21 ILE A 114 0.696 5.812 2.614 1.00 43.13 H new ATOM 0 HG22 ILE A 114 -0.614 6.587 1.692 1.00 43.13 H new ATOM 0 HG23 ILE A 114 -0.945 5.123 2.649 1.00 43.13 H new ATOM 0 HD11 ILE A 114 2.563 2.611 2.208 1.00 44.24 H new ATOM 0 HD12 ILE A 114 2.860 4.114 1.302 1.00 44.24 H new ATOM 0 HD13 ILE A 114 2.008 4.170 2.863 1.00 44.24 H new ATOM 1714 N CYS A 115 -2.905 6.062 -0.737 1.00 14.31 N ATOM 1715 CA CYS A 115 -3.471 7.319 -1.238 1.00 73.33 C ATOM 1716 C CYS A 115 -3.007 8.463 -0.326 1.00 32.25 C ATOM 1717 O CYS A 115 -3.510 8.604 0.780 1.00 61.41 O ATOM 1718 CB CYS A 115 -5.021 7.229 -1.258 1.00 55.12 C ATOM 1719 SG CYS A 115 -5.649 5.751 -2.075 1.00 73.14 S ATOM 0 H CYS A 115 -3.607 5.409 -0.388 1.00 14.31 H new ATOM 0 HA CYS A 115 -3.129 7.506 -2.256 1.00 73.33 H new ATOM 0 HB2 CYS A 115 -5.391 7.252 -0.233 1.00 55.12 H new ATOM 0 HB3 CYS A 115 -5.421 8.109 -1.761 1.00 55.12 H new ATOM 0 HG CYS A 115 -5.777 4.795 -1.204 1.00 73.14 H new ATOM 1725 N THR A 116 -2.034 9.250 -0.801 1.00 11.44 N ATOM 1726 CA THR A 116 -1.427 10.360 -0.033 1.00 1.13 C ATOM 1727 C THR A 116 -2.428 11.516 0.134 1.00 10.21 C ATOM 1728 O THR A 116 -2.382 12.267 1.110 1.00 61.42 O ATOM 1729 CB THR A 116 -0.150 10.861 -0.771 1.00 21.23 C ATOM 1730 OG1 THR A 116 -0.506 11.146 -2.122 1.00 20.22 O ATOM 1731 CG2 THR A 116 0.989 9.826 -0.767 1.00 44.15 C ATOM 0 H THR A 116 -1.638 9.139 -1.735 1.00 11.44 H new ATOM 0 HA THR A 116 -1.157 9.998 0.959 1.00 1.13 H new ATOM 0 HB THR A 116 0.216 11.744 -0.247 1.00 21.23 H new ATOM 0 HG1 THR A 116 0.120 11.802 -2.494 1.00 20.22 H new ATOM 0 HG21 THR A 116 1.851 10.232 -1.296 1.00 44.15 H new ATOM 0 HG22 THR A 116 1.269 9.597 0.261 1.00 44.15 H new ATOM 0 HG23 THR A 116 0.655 8.915 -1.264 1.00 44.15 H new ATOM 1739 N ALA A 117 -3.328 11.633 -0.843 1.00 54.30 N ATOM 1740 CA ALA A 117 -4.480 12.539 -0.794 1.00 50.22 C ATOM 1741 C ALA A 117 -5.773 11.720 -0.894 1.00 63.21 C ATOM 1742 O ALA A 117 -5.736 10.519 -1.211 1.00 11.35 O ATOM 1743 CB ALA A 117 -4.389 13.574 -1.924 1.00 25.45 C ATOM 0 H ALA A 117 -3.277 11.092 -1.706 1.00 54.30 H new ATOM 0 HA ALA A 117 -4.482 13.080 0.152 1.00 50.22 H new ATOM 0 HB1 ALA A 117 -5.250 14.241 -1.877 1.00 25.45 H new ATOM 0 HB2 ALA A 117 -3.474 14.155 -1.812 1.00 25.45 H new ATOM 0 HB3 ALA A 117 -4.379 13.062 -2.886 1.00 25.45 H new ATOM 1749 N LYS A 118 -6.917 12.376 -0.619 1.00 62.41 N ATOM 1750 CA LYS A 118 -8.245 11.748 -0.708 1.00 22.14 C ATOM 1751 C LYS A 118 -8.638 11.535 -2.183 1.00 74.34 C ATOM 1752 O LYS A 118 -9.220 12.420 -2.839 1.00 43.33 O ATOM 1753 CB LYS A 118 -9.321 12.572 0.062 1.00 61.01 C ATOM 1754 CG LYS A 118 -9.404 14.069 -0.321 1.00 53.11 C ATOM 1755 CD LYS A 118 -10.566 14.800 0.376 1.00 55.43 C ATOM 1756 CE LYS A 118 -11.941 14.222 0.002 1.00 41.21 C ATOM 1757 NZ LYS A 118 -12.194 14.258 -1.463 1.00 23.20 N ATOM 0 H LYS A 118 -6.944 13.354 -0.330 1.00 62.41 H new ATOM 0 HA LYS A 118 -8.194 10.771 -0.227 1.00 22.14 H new ATOM 0 HB2 LYS A 118 -10.296 12.115 -0.109 1.00 61.01 H new ATOM 0 HB3 LYS A 118 -9.117 12.498 1.130 1.00 61.01 H new ATOM 0 HG2 LYS A 118 -8.465 14.558 -0.061 1.00 53.11 H new ATOM 0 HG3 LYS A 118 -9.521 14.157 -1.401 1.00 53.11 H new ATOM 0 HD2 LYS A 118 -10.432 14.739 1.456 1.00 55.43 H new ATOM 0 HD3 LYS A 118 -10.536 15.857 0.110 1.00 55.43 H new ATOM 0 HE2 LYS A 118 -12.007 13.192 0.354 1.00 41.21 H new ATOM 0 HE3 LYS A 118 -12.720 14.785 0.516 1.00 41.21 H new ATOM 0 HZ1 LYS A 118 -13.146 13.889 -1.660 1.00 23.20 H new ATOM 0 HZ2 LYS A 118 -12.125 15.238 -1.803 1.00 23.20 H new ATOM 0 HZ3 LYS A 118 -11.488 13.672 -1.952 1.00 23.20 H new ATOM 1771 N THR A 119 -8.257 10.370 -2.717 1.00 22.50 N ATOM 1772 CA THR A 119 -8.600 9.971 -4.076 1.00 1.33 C ATOM 1773 C THR A 119 -10.106 9.646 -4.138 1.00 23.43 C ATOM 1774 O THR A 119 -10.540 8.520 -3.901 1.00 54.33 O ATOM 1775 CB THR A 119 -7.706 8.771 -4.524 1.00 3.22 C ATOM 1776 OG1 THR A 119 -7.785 7.712 -3.552 1.00 23.40 O ATOM 1777 CG2 THR A 119 -6.233 9.192 -4.695 1.00 4.20 C ATOM 0 H THR A 119 -7.701 9.679 -2.213 1.00 22.50 H new ATOM 0 HA THR A 119 -8.405 10.785 -4.775 1.00 1.33 H new ATOM 0 HB THR A 119 -8.078 8.425 -5.488 1.00 3.22 H new ATOM 0 HG1 THR A 119 -6.884 7.379 -3.357 1.00 23.40 H new ATOM 0 HG21 THR A 119 -5.642 8.331 -5.007 1.00 4.20 H new ATOM 0 HG22 THR A 119 -6.163 9.973 -5.452 1.00 4.20 H new ATOM 0 HG23 THR A 119 -5.850 9.570 -3.747 1.00 4.20 H new ATOM 1785 N GLU A 120 -10.892 10.695 -4.425 1.00 32.34 N ATOM 1786 CA GLU A 120 -12.365 10.664 -4.360 1.00 33.42 C ATOM 1787 C GLU A 120 -12.974 9.920 -5.562 1.00 12.24 C ATOM 1788 O GLU A 120 -14.103 9.419 -5.487 1.00 63.04 O ATOM 1789 CB GLU A 120 -12.910 12.114 -4.235 1.00 25.13 C ATOM 1790 CG GLU A 120 -12.391 13.112 -5.290 1.00 21.03 C ATOM 1791 CD GLU A 120 -12.831 14.556 -5.005 1.00 53.14 C ATOM 1792 OE1 GLU A 120 -12.158 15.244 -4.199 1.00 61.35 O ATOM 1793 OE2 GLU A 120 -13.864 15.000 -5.554 1.00 23.21 O ATOM 0 H GLU A 120 -10.520 11.600 -4.712 1.00 32.34 H new ATOM 0 HA GLU A 120 -12.665 10.104 -3.474 1.00 33.42 H new ATOM 0 HB2 GLU A 120 -13.998 12.081 -4.296 1.00 25.13 H new ATOM 0 HB3 GLU A 120 -12.657 12.494 -3.245 1.00 25.13 H new ATOM 0 HG2 GLU A 120 -11.302 13.068 -5.322 1.00 21.03 H new ATOM 0 HG3 GLU A 120 -12.751 12.814 -6.275 1.00 21.03 H new ATOM 1800 N TRP A 121 -12.196 9.821 -6.653 1.00 43.34 N ATOM 1801 CA TRP A 121 -12.546 9.007 -7.835 1.00 32.03 C ATOM 1802 C TRP A 121 -12.292 7.503 -7.563 1.00 33.44 C ATOM 1803 O TRP A 121 -12.520 6.653 -8.428 1.00 30.25 O ATOM 1804 CB TRP A 121 -11.783 9.523 -9.095 1.00 22.22 C ATOM 1805 CG TRP A 121 -10.268 9.585 -8.967 1.00 1.25 C ATOM 1806 CD1 TRP A 121 -9.362 8.671 -9.431 1.00 23.34 C ATOM 1807 CD2 TRP A 121 -9.486 10.641 -8.361 1.00 13.22 C ATOM 1808 NE1 TRP A 121 -8.084 9.067 -9.118 1.00 2.44 N ATOM 1809 CE2 TRP A 121 -8.135 10.277 -8.472 1.00 45.35 C ATOM 1810 CE3 TRP A 121 -9.804 11.850 -7.722 1.00 34.52 C ATOM 1811 CZ2 TRP A 121 -7.108 11.080 -7.983 1.00 64.11 C ATOM 1812 CZ3 TRP A 121 -8.783 12.642 -7.237 1.00 22.42 C ATOM 1813 CH2 TRP A 121 -7.446 12.251 -7.366 1.00 1.40 C ATOM 0 H TRP A 121 -11.302 10.304 -6.743 1.00 43.34 H new ATOM 0 HA TRP A 121 -13.612 9.114 -8.037 1.00 32.03 H new ATOM 0 HB2 TRP A 121 -12.032 8.878 -9.938 1.00 22.22 H new ATOM 0 HB3 TRP A 121 -12.150 10.520 -9.337 1.00 22.22 H new ATOM 0 HD1 TRP A 121 -9.615 7.768 -9.966 1.00 23.34 H new ATOM 0 HE1 TRP A 121 -7.234 8.545 -9.331 1.00 2.44 H new ATOM 0 HE3 TRP A 121 -10.834 12.156 -7.611 1.00 34.52 H new ATOM 0 HZ2 TRP A 121 -6.074 10.786 -8.088 1.00 64.11 H new ATOM 0 HZ3 TRP A 121 -9.020 13.577 -6.751 1.00 22.42 H new ATOM 0 HH2 TRP A 121 -6.667 12.886 -6.971 1.00 1.40 H new ATOM 1824 N LEU A 122 -11.797 7.188 -6.353 1.00 74.05 N ATOM 1825 CA LEU A 122 -11.678 5.807 -5.853 1.00 24.21 C ATOM 1826 C LEU A 122 -12.811 5.483 -4.859 1.00 50.33 C ATOM 1827 O LEU A 122 -12.790 4.420 -4.222 1.00 3.00 O ATOM 1828 CB LEU A 122 -10.286 5.574 -5.194 1.00 41.30 C ATOM 1829 CG LEU A 122 -9.101 5.196 -6.138 1.00 72.31 C ATOM 1830 CD1 LEU A 122 -8.843 6.252 -7.218 1.00 50.24 C ATOM 1831 CD2 LEU A 122 -7.832 4.927 -5.324 1.00 44.33 C ATOM 0 H LEU A 122 -11.466 7.889 -5.690 1.00 74.05 H new ATOM 0 HA LEU A 122 -11.769 5.132 -6.704 1.00 24.21 H new ATOM 0 HB2 LEU A 122 -10.012 6.481 -4.655 1.00 41.30 H new ATOM 0 HB3 LEU A 122 -10.392 4.782 -4.452 1.00 41.30 H new ATOM 0 HG LEU A 122 -9.389 4.283 -6.659 1.00 72.31 H new ATOM 0 HD11 LEU A 122 -8.009 5.936 -7.844 1.00 50.24 H new ATOM 0 HD12 LEU A 122 -9.735 6.368 -7.834 1.00 50.24 H new ATOM 0 HD13 LEU A 122 -8.602 7.204 -6.746 1.00 50.24 H new ATOM 0 HD21 LEU A 122 -7.016 4.665 -5.998 1.00 44.33 H new ATOM 0 HD22 LEU A 122 -7.565 5.821 -4.761 1.00 44.33 H new ATOM 0 HD23 LEU A 122 -8.011 4.103 -4.633 1.00 44.33 H new ATOM 1843 N ASP A 123 -13.785 6.393 -4.705 1.00 25.22 N ATOM 1844 CA ASP A 123 -14.984 6.127 -3.889 1.00 53.51 C ATOM 1845 C ASP A 123 -16.027 5.393 -4.734 1.00 50.33 C ATOM 1846 O ASP A 123 -16.378 5.847 -5.830 1.00 4.14 O ATOM 1847 CB ASP A 123 -15.553 7.435 -3.293 1.00 13.42 C ATOM 1848 CG ASP A 123 -14.691 8.049 -2.173 1.00 21.02 C ATOM 1849 OD1 ASP A 123 -13.891 7.324 -1.544 1.00 14.54 O ATOM 1850 OD2 ASP A 123 -14.858 9.249 -1.884 1.00 12.22 O ATOM 0 H ASP A 123 -13.768 7.319 -5.133 1.00 25.22 H new ATOM 0 HA ASP A 123 -14.708 5.489 -3.049 1.00 53.51 H new ATOM 0 HB2 ASP A 123 -15.664 8.167 -4.093 1.00 13.42 H new ATOM 0 HB3 ASP A 123 -16.551 7.238 -2.901 1.00 13.42 H new ATOM 1855 N GLY A 124 -16.524 4.260 -4.207 1.00 53.42 N ATOM 1856 CA GLY A 124 -17.338 3.313 -4.982 1.00 62.22 C ATOM 1857 C GLY A 124 -16.486 2.190 -5.577 1.00 25.31 C ATOM 1858 O GLY A 124 -16.971 1.386 -6.380 1.00 42.15 O ATOM 0 H GLY A 124 -16.373 3.978 -3.238 1.00 53.42 H new ATOM 0 HA2 GLY A 124 -18.108 2.885 -4.340 1.00 62.22 H new ATOM 0 HA3 GLY A 124 -17.851 3.845 -5.784 1.00 62.22 H new ATOM 1862 N LYS A 125 -15.200 2.158 -5.179 1.00 65.15 N ATOM 1863 CA LYS A 125 -14.206 1.152 -5.609 1.00 73.35 C ATOM 1864 C LYS A 125 -13.987 0.151 -4.443 1.00 3.22 C ATOM 1865 O LYS A 125 -14.775 0.148 -3.486 1.00 4.31 O ATOM 1866 CB LYS A 125 -12.908 1.907 -6.055 1.00 72.22 C ATOM 1867 CG LYS A 125 -11.937 1.108 -6.958 1.00 45.12 C ATOM 1868 CD LYS A 125 -10.800 1.976 -7.543 1.00 24.24 C ATOM 1869 CE LYS A 125 -11.329 3.106 -8.459 1.00 21.11 C ATOM 1870 NZ LYS A 125 -12.149 2.581 -9.584 1.00 55.34 N ATOM 0 H LYS A 125 -14.813 2.847 -4.534 1.00 65.15 H new ATOM 0 HA LYS A 125 -14.542 0.567 -6.465 1.00 73.35 H new ATOM 0 HB2 LYS A 125 -13.202 2.814 -6.584 1.00 72.22 H new ATOM 0 HB3 LYS A 125 -12.368 2.220 -5.161 1.00 72.22 H new ATOM 0 HG2 LYS A 125 -11.503 0.292 -6.381 1.00 45.12 H new ATOM 0 HG3 LYS A 125 -12.499 0.657 -7.776 1.00 45.12 H new ATOM 0 HD2 LYS A 125 -10.225 2.413 -6.727 1.00 24.24 H new ATOM 0 HD3 LYS A 125 -10.118 1.342 -8.110 1.00 24.24 H new ATOM 0 HE2 LYS A 125 -11.927 3.800 -7.868 1.00 21.11 H new ATOM 0 HE3 LYS A 125 -10.487 3.671 -8.858 1.00 21.11 H new ATOM 0 HZ1 LYS A 125 -12.354 3.350 -10.253 1.00 55.34 H new ATOM 0 HZ2 LYS A 125 -11.625 1.827 -10.073 1.00 55.34 H new ATOM 0 HZ3 LYS A 125 -13.042 2.198 -9.213 1.00 55.34 H new ATOM 1884 N HIS A 126 -12.939 -0.695 -4.515 1.00 73.21 N ATOM 1885 CA HIS A 126 -12.688 -1.748 -3.517 1.00 22.52 C ATOM 1886 C HIS A 126 -12.302 -1.156 -2.152 1.00 13.01 C ATOM 1887 O HIS A 126 -11.782 -0.030 -2.061 1.00 65.24 O ATOM 1888 CB HIS A 126 -11.570 -2.696 -4.000 1.00 1.41 C ATOM 1889 CG HIS A 126 -10.235 -2.027 -4.211 1.00 54.24 C ATOM 1890 ND1 HIS A 126 -9.858 -1.478 -5.415 1.00 74.35 N ATOM 1891 CD2 HIS A 126 -9.201 -1.804 -3.364 1.00 15.22 C ATOM 1892 CE1 HIS A 126 -8.664 -0.947 -5.291 1.00 70.30 C ATOM 1893 NE2 HIS A 126 -8.239 -1.129 -4.059 1.00 10.10 N ATOM 0 H HIS A 126 -12.247 -0.666 -5.264 1.00 73.21 H new ATOM 0 HA HIS A 126 -13.616 -2.308 -3.399 1.00 22.52 H new ATOM 0 HB2 HIS A 126 -11.450 -3.498 -3.271 1.00 1.41 H new ATOM 0 HB3 HIS A 126 -11.882 -3.160 -4.936 1.00 1.41 H new ATOM 0 HD2 HIS A 126 -9.148 -2.105 -2.328 1.00 15.22 H new ATOM 0 HE1 HIS A 126 -8.118 -0.442 -6.074 1.00 70.30 H new ATOM 0 HE2 HIS A 126 -7.342 -0.818 -3.686 1.00 10.10 H new ATOM 1902 N VAL A 127 -12.558 -1.960 -1.121 1.00 52.12 N ATOM 1903 CA VAL A 127 -12.393 -1.596 0.284 1.00 53.42 C ATOM 1904 C VAL A 127 -10.920 -1.302 0.664 1.00 43.33 C ATOM 1905 O VAL A 127 -9.973 -1.856 0.081 1.00 24.12 O ATOM 1906 CB VAL A 127 -12.974 -2.733 1.204 1.00 30.11 C ATOM 1907 CG1 VAL A 127 -12.146 -4.047 1.106 1.00 23.43 C ATOM 1908 CG2 VAL A 127 -13.136 -2.261 2.664 1.00 13.52 C ATOM 0 H VAL A 127 -12.897 -2.914 -1.246 1.00 52.12 H new ATOM 0 HA VAL A 127 -12.948 -0.671 0.440 1.00 53.42 H new ATOM 0 HB VAL A 127 -13.971 -2.964 0.830 1.00 30.11 H new ATOM 0 HG11 VAL A 127 -12.584 -4.803 1.758 1.00 23.43 H new ATOM 0 HG12 VAL A 127 -12.154 -4.406 0.077 1.00 23.43 H new ATOM 0 HG13 VAL A 127 -11.119 -3.854 1.414 1.00 23.43 H new ATOM 0 HG21 VAL A 127 -13.540 -3.075 3.267 1.00 13.52 H new ATOM 0 HG22 VAL A 127 -12.165 -1.963 3.060 1.00 13.52 H new ATOM 0 HG23 VAL A 127 -13.818 -1.411 2.698 1.00 13.52 H new ATOM 1918 N VAL A 128 -10.773 -0.389 1.621 1.00 44.21 N ATOM 1919 CA VAL A 128 -9.505 -0.044 2.283 1.00 14.23 C ATOM 1920 C VAL A 128 -9.209 -1.085 3.394 1.00 13.42 C ATOM 1921 O VAL A 128 -10.132 -1.752 3.863 1.00 15.14 O ATOM 1922 CB VAL A 128 -9.641 1.422 2.852 1.00 71.25 C ATOM 1923 CG1 VAL A 128 -8.391 1.906 3.604 1.00 33.02 C ATOM 1924 CG2 VAL A 128 -10.031 2.396 1.709 1.00 60.54 C ATOM 0 H VAL A 128 -11.560 0.155 1.974 1.00 44.21 H new ATOM 0 HA VAL A 128 -8.666 -0.070 1.588 1.00 14.23 H new ATOM 0 HB VAL A 128 -10.436 1.405 3.598 1.00 71.25 H new ATOM 0 HG11 VAL A 128 -8.555 2.921 3.967 1.00 33.02 H new ATOM 0 HG12 VAL A 128 -8.196 1.245 4.449 1.00 33.02 H new ATOM 0 HG13 VAL A 128 -7.534 1.896 2.930 1.00 33.02 H new ATOM 0 HG21 VAL A 128 -10.123 3.406 2.108 1.00 60.54 H new ATOM 0 HG22 VAL A 128 -9.261 2.379 0.938 1.00 60.54 H new ATOM 0 HG23 VAL A 128 -10.983 2.088 1.277 1.00 60.54 H new ATOM 1934 N PHE A 129 -7.929 -1.273 3.777 1.00 24.51 N ATOM 1935 CA PHE A 129 -7.559 -2.208 4.872 1.00 71.01 C ATOM 1936 C PHE A 129 -6.855 -1.478 6.025 1.00 24.01 C ATOM 1937 O PHE A 129 -6.871 -1.956 7.163 1.00 3.03 O ATOM 1938 CB PHE A 129 -6.680 -3.381 4.348 1.00 23.12 C ATOM 1939 CG PHE A 129 -5.275 -3.002 3.854 1.00 42.43 C ATOM 1940 CD1 PHE A 129 -4.195 -2.954 4.734 1.00 3.13 C ATOM 1941 CD2 PHE A 129 -5.037 -2.706 2.520 1.00 33.43 C ATOM 1942 CE1 PHE A 129 -2.935 -2.622 4.293 1.00 23.11 C ATOM 1943 CE2 PHE A 129 -3.769 -2.374 2.080 1.00 30.42 C ATOM 1944 CZ PHE A 129 -2.720 -2.334 2.966 1.00 43.24 C ATOM 0 H PHE A 129 -7.135 -0.795 3.350 1.00 24.51 H new ATOM 0 HA PHE A 129 -8.487 -2.629 5.258 1.00 71.01 H new ATOM 0 HB2 PHE A 129 -6.577 -4.116 5.146 1.00 23.12 H new ATOM 0 HB3 PHE A 129 -7.211 -3.870 3.531 1.00 23.12 H new ATOM 0 HD1 PHE A 129 -4.350 -3.181 5.778 1.00 3.13 H new ATOM 0 HD2 PHE A 129 -5.854 -2.735 1.815 1.00 33.43 H new ATOM 0 HE1 PHE A 129 -2.112 -2.587 4.991 1.00 23.11 H new ATOM 0 HE2 PHE A 129 -3.603 -2.146 1.038 1.00 30.42 H new ATOM 0 HZ PHE A 129 -1.729 -2.077 2.621 1.00 43.24 H new ATOM 1954 N GLY A 130 -6.235 -0.325 5.720 1.00 22.43 N ATOM 1955 CA GLY A 130 -5.437 0.410 6.702 1.00 1.05 C ATOM 1956 C GLY A 130 -5.266 1.872 6.333 1.00 12.12 C ATOM 1957 O GLY A 130 -5.729 2.310 5.281 1.00 45.20 O ATOM 0 H GLY A 130 -6.274 0.114 4.800 1.00 22.43 H new ATOM 0 HA2 GLY A 130 -5.914 0.338 7.680 1.00 1.05 H new ATOM 0 HA3 GLY A 130 -4.456 -0.056 6.791 1.00 1.05 H new ATOM 1961 N LYS A 131 -4.600 2.623 7.211 1.00 14.52 N ATOM 1962 CA LYS A 131 -4.342 4.060 7.020 1.00 14.00 C ATOM 1963 C LYS A 131 -3.067 4.454 7.786 1.00 24.10 C ATOM 1964 O LYS A 131 -2.782 3.876 8.839 1.00 63.14 O ATOM 1965 CB LYS A 131 -5.553 4.889 7.527 1.00 34.13 C ATOM 1966 CG LYS A 131 -5.465 6.413 7.242 1.00 51.11 C ATOM 1967 CD LYS A 131 -6.515 7.239 8.018 1.00 74.45 C ATOM 1968 CE LYS A 131 -6.323 7.138 9.545 1.00 72.43 C ATOM 1969 NZ LYS A 131 -7.249 8.036 10.286 1.00 14.40 N ATOM 0 H LYS A 131 -4.220 2.253 8.082 1.00 14.52 H new ATOM 0 HA LYS A 131 -4.201 4.267 5.959 1.00 14.00 H new ATOM 0 HB2 LYS A 131 -6.461 4.499 7.066 1.00 34.13 H new ATOM 0 HB3 LYS A 131 -5.653 4.740 8.602 1.00 34.13 H new ATOM 0 HG2 LYS A 131 -4.468 6.768 7.503 1.00 51.11 H new ATOM 0 HG3 LYS A 131 -5.595 6.584 6.173 1.00 51.11 H new ATOM 0 HD2 LYS A 131 -6.450 8.284 7.714 1.00 74.45 H new ATOM 0 HD3 LYS A 131 -7.514 6.892 7.755 1.00 74.45 H new ATOM 0 HE2 LYS A 131 -6.486 6.108 9.863 1.00 72.43 H new ATOM 0 HE3 LYS A 131 -5.293 7.391 9.798 1.00 72.43 H new ATOM 0 HZ1 LYS A 131 -7.086 7.936 11.308 1.00 14.40 H new ATOM 0 HZ2 LYS A 131 -7.077 9.022 10.003 1.00 14.40 H new ATOM 0 HZ3 LYS A 131 -8.232 7.779 10.066 1.00 14.40 H new ATOM 1983 N VAL A 132 -2.309 5.431 7.255 1.00 74.14 N ATOM 1984 CA VAL A 132 -1.110 5.965 7.917 1.00 74.23 C ATOM 1985 C VAL A 132 -1.529 6.737 9.179 1.00 70.32 C ATOM 1986 O VAL A 132 -2.308 7.694 9.089 1.00 14.32 O ATOM 1987 CB VAL A 132 -0.273 6.931 6.991 1.00 2.32 C ATOM 1988 CG1 VAL A 132 1.088 7.265 7.641 1.00 33.24 C ATOM 1989 CG2 VAL A 132 -0.074 6.355 5.577 1.00 53.13 C ATOM 0 H VAL A 132 -2.512 5.870 6.357 1.00 74.14 H new ATOM 0 HA VAL A 132 -0.477 5.113 8.163 1.00 74.23 H new ATOM 0 HB VAL A 132 -0.847 7.852 6.884 1.00 2.32 H new ATOM 0 HG11 VAL A 132 1.650 7.932 6.987 1.00 33.24 H new ATOM 0 HG12 VAL A 132 0.922 7.753 8.601 1.00 33.24 H new ATOM 0 HG13 VAL A 132 1.654 6.346 7.794 1.00 33.24 H new ATOM 0 HG21 VAL A 132 0.507 7.055 4.977 1.00 53.13 H new ATOM 0 HG22 VAL A 132 0.457 5.405 5.642 1.00 53.13 H new ATOM 0 HG23 VAL A 132 -1.045 6.196 5.109 1.00 53.13 H new ATOM 1999 N LYS A 133 -1.036 6.301 10.345 1.00 51.33 N ATOM 2000 CA LYS A 133 -1.298 6.997 11.621 1.00 61.23 C ATOM 2001 C LYS A 133 -0.081 7.863 11.996 1.00 61.04 C ATOM 2002 O LYS A 133 -0.220 8.940 12.591 1.00 61.11 O ATOM 2003 CB LYS A 133 -1.642 5.975 12.743 1.00 31.10 C ATOM 2004 CG LYS A 133 -0.507 4.994 13.110 1.00 53.24 C ATOM 2005 CD LYS A 133 -0.909 3.985 14.204 1.00 43.32 C ATOM 2006 CE LYS A 133 -1.292 4.647 15.540 1.00 4.24 C ATOM 2007 NZ LYS A 133 -1.821 3.651 16.509 1.00 25.14 N ATOM 0 H LYS A 133 -0.453 5.469 10.436 1.00 51.33 H new ATOM 0 HA LYS A 133 -2.162 7.651 11.505 1.00 61.23 H new ATOM 0 HB2 LYS A 133 -1.928 6.526 13.639 1.00 31.10 H new ATOM 0 HB3 LYS A 133 -2.513 5.398 12.432 1.00 31.10 H new ATOM 0 HG2 LYS A 133 -0.203 4.449 12.216 1.00 53.24 H new ATOM 0 HG3 LYS A 133 0.360 5.561 13.448 1.00 53.24 H new ATOM 0 HD2 LYS A 133 -1.751 3.391 13.848 1.00 43.32 H new ATOM 0 HD3 LYS A 133 -0.082 3.296 14.373 1.00 43.32 H new ATOM 0 HE2 LYS A 133 -0.419 5.142 15.965 1.00 4.24 H new ATOM 0 HE3 LYS A 133 -2.042 5.418 15.363 1.00 4.24 H new ATOM 0 HZ1 LYS A 133 -1.599 3.957 17.478 1.00 25.14 H new ATOM 0 HZ2 LYS A 133 -2.852 3.573 16.398 1.00 25.14 H new ATOM 0 HZ3 LYS A 133 -1.382 2.725 16.330 1.00 25.14 H new ATOM 2021 N GLU A 134 1.118 7.363 11.630 1.00 50.52 N ATOM 2022 CA GLU A 134 2.425 7.996 11.907 1.00 21.10 C ATOM 2023 C GLU A 134 3.357 7.737 10.718 1.00 52.24 C ATOM 2024 O GLU A 134 3.235 6.710 10.050 1.00 45.21 O ATOM 2025 CB GLU A 134 3.042 7.407 13.210 1.00 64.01 C ATOM 2026 CG GLU A 134 2.264 7.766 14.494 1.00 53.11 C ATOM 2027 CD GLU A 134 2.674 6.924 15.706 1.00 53.25 C ATOM 2028 OE1 GLU A 134 3.673 7.269 16.376 1.00 71.53 O ATOM 2029 OE2 GLU A 134 2.000 5.907 15.984 1.00 2.42 O ATOM 0 H GLU A 134 1.206 6.484 11.120 1.00 50.52 H new ATOM 0 HA GLU A 134 2.293 9.069 12.046 1.00 21.10 H new ATOM 0 HB2 GLU A 134 3.090 6.322 13.118 1.00 64.01 H new ATOM 0 HB3 GLU A 134 4.067 7.764 13.307 1.00 64.01 H new ATOM 0 HG2 GLU A 134 2.421 8.820 14.723 1.00 53.11 H new ATOM 0 HG3 GLU A 134 1.197 7.634 14.313 1.00 53.11 H new ATOM 2036 N GLY A 135 4.282 8.672 10.465 1.00 2.34 N ATOM 2037 CA GLY A 135 5.204 8.579 9.334 1.00 51.12 C ATOM 2038 C GLY A 135 4.582 9.092 8.041 1.00 61.12 C ATOM 2039 O GLY A 135 5.088 8.805 6.956 1.00 33.03 O ATOM 0 H GLY A 135 4.409 9.507 11.036 1.00 2.34 H new ATOM 0 HA2 GLY A 135 6.105 9.152 9.554 1.00 51.12 H new ATOM 0 HA3 GLY A 135 5.510 7.541 9.201 1.00 51.12 H new ATOM 2043 N MET A 136 3.479 9.867 8.171 1.00 0.24 N ATOM 2044 CA MET A 136 2.740 10.442 7.032 1.00 51.52 C ATOM 2045 C MET A 136 3.616 11.440 6.257 1.00 73.11 C ATOM 2046 O MET A 136 3.530 11.530 5.028 1.00 43.20 O ATOM 2047 CB MET A 136 1.433 11.115 7.524 1.00 51.33 C ATOM 2048 CG MET A 136 0.560 11.688 6.394 1.00 32.22 C ATOM 2049 SD MET A 136 0.098 10.438 5.169 1.00 71.43 S ATOM 2050 CE MET A 136 -0.634 11.456 3.887 1.00 51.15 C ATOM 0 H MET A 136 3.078 10.110 9.077 1.00 0.24 H new ATOM 0 HA MET A 136 2.475 9.634 6.350 1.00 51.52 H new ATOM 0 HB2 MET A 136 0.850 10.385 8.085 1.00 51.33 H new ATOM 0 HB3 MET A 136 1.688 11.918 8.215 1.00 51.33 H new ATOM 0 HG2 MET A 136 -0.343 12.123 6.822 1.00 32.22 H new ATOM 0 HG3 MET A 136 1.098 12.496 5.898 1.00 32.22 H new ATOM 0 HE1 MET A 136 -1.324 10.855 3.295 1.00 51.15 H new ATOM 0 HE2 MET A 136 -1.174 12.285 4.345 1.00 51.15 H new ATOM 0 HE3 MET A 136 0.151 11.848 3.241 1.00 51.15 H new ATOM 2060 N ASN A 137 4.474 12.163 7.001 1.00 73.21 N ATOM 2061 CA ASN A 137 5.479 13.074 6.430 1.00 15.54 C ATOM 2062 C ASN A 137 6.431 12.309 5.489 1.00 2.35 C ATOM 2063 O ASN A 137 6.755 12.794 4.405 1.00 23.32 O ATOM 2064 CB ASN A 137 6.277 13.768 7.565 1.00 20.20 C ATOM 2065 CG ASN A 137 7.331 14.753 7.046 1.00 53.02 C ATOM 2066 OD1 ASN A 137 8.477 14.383 6.798 1.00 14.23 O ATOM 2067 ND2 ASN A 137 6.952 16.004 6.850 1.00 31.11 N ATOM 0 H ASN A 137 4.488 12.130 8.020 1.00 73.21 H new ATOM 0 HA ASN A 137 4.965 13.838 5.847 1.00 15.54 H new ATOM 0 HB2 ASN A 137 5.583 14.299 8.217 1.00 20.20 H new ATOM 0 HB3 ASN A 137 6.767 13.008 8.173 1.00 20.20 H new ATOM 0 HD21 ASN A 137 7.616 16.687 6.485 1.00 31.11 H new ATOM 0 HD22 ASN A 137 5.995 16.286 7.063 1.00 31.11 H new ATOM 2074 N ILE A 138 6.849 11.101 5.920 1.00 15.50 N ATOM 2075 CA ILE A 138 7.744 10.224 5.136 1.00 45.01 C ATOM 2076 C ILE A 138 7.025 9.702 3.871 1.00 11.12 C ATOM 2077 O ILE A 138 7.645 9.580 2.815 1.00 60.33 O ATOM 2078 CB ILE A 138 8.267 9.024 6.014 1.00 0.01 C ATOM 2079 CG1 ILE A 138 8.983 9.548 7.299 1.00 74.25 C ATOM 2080 CG2 ILE A 138 9.199 8.076 5.214 1.00 64.12 C ATOM 2081 CD1 ILE A 138 10.191 10.437 7.037 1.00 42.32 C ATOM 0 H ILE A 138 6.576 10.706 6.820 1.00 15.50 H new ATOM 0 HA ILE A 138 8.605 10.814 4.822 1.00 45.01 H new ATOM 0 HB ILE A 138 7.395 8.442 6.313 1.00 0.01 H new ATOM 0 HG12 ILE A 138 8.263 10.105 7.898 1.00 74.25 H new ATOM 0 HG13 ILE A 138 9.301 8.693 7.896 1.00 74.25 H new ATOM 0 HG21 ILE A 138 9.534 7.265 5.860 1.00 64.12 H new ATOM 0 HG22 ILE A 138 8.655 7.662 4.365 1.00 64.12 H new ATOM 0 HG23 ILE A 138 10.063 8.634 4.854 1.00 64.12 H new ATOM 0 HD11 ILE A 138 10.623 10.753 7.987 1.00 42.32 H new ATOM 0 HD12 ILE A 138 10.935 9.881 6.467 1.00 42.32 H new ATOM 0 HD13 ILE A 138 9.881 11.315 6.470 1.00 42.32 H new ATOM 2093 N VAL A 139 5.707 9.439 3.997 1.00 32.53 N ATOM 2094 CA VAL A 139 4.841 8.999 2.879 1.00 32.02 C ATOM 2095 C VAL A 139 4.703 10.122 1.806 1.00 4.32 C ATOM 2096 O VAL A 139 4.715 9.860 0.593 1.00 31.33 O ATOM 2097 CB VAL A 139 3.429 8.554 3.427 1.00 32.30 C ATOM 2098 CG1 VAL A 139 2.454 8.185 2.290 1.00 51.01 C ATOM 2099 CG2 VAL A 139 3.569 7.378 4.427 1.00 51.24 C ATOM 0 H VAL A 139 5.209 9.526 4.883 1.00 32.53 H new ATOM 0 HA VAL A 139 5.306 8.140 2.396 1.00 32.02 H new ATOM 0 HB VAL A 139 3.007 9.411 3.952 1.00 32.30 H new ATOM 0 HG11 VAL A 139 1.496 7.885 2.715 1.00 51.01 H new ATOM 0 HG12 VAL A 139 2.309 9.048 1.641 1.00 51.01 H new ATOM 0 HG13 VAL A 139 2.867 7.360 1.710 1.00 51.01 H new ATOM 0 HG21 VAL A 139 2.583 7.090 4.790 1.00 51.24 H new ATOM 0 HG22 VAL A 139 4.034 6.528 3.927 1.00 51.24 H new ATOM 0 HG23 VAL A 139 4.189 7.688 5.268 1.00 51.24 H new ATOM 2109 N GLU A 140 4.620 11.372 2.278 1.00 1.13 N ATOM 2110 CA GLU A 140 4.536 12.569 1.412 1.00 53.15 C ATOM 2111 C GLU A 140 5.919 12.927 0.817 1.00 34.22 C ATOM 2112 O GLU A 140 6.002 13.504 -0.277 1.00 4.22 O ATOM 2113 CB GLU A 140 3.955 13.752 2.228 1.00 54.31 C ATOM 2114 CG GLU A 140 2.505 13.523 2.714 1.00 74.42 C ATOM 2115 CD GLU A 140 2.009 14.615 3.677 1.00 71.33 C ATOM 2116 OE1 GLU A 140 1.513 15.661 3.202 1.00 61.23 O ATOM 2117 OE2 GLU A 140 2.136 14.445 4.911 1.00 61.33 O ATOM 0 H GLU A 140 4.609 11.589 3.275 1.00 1.13 H new ATOM 0 HA GLU A 140 3.873 12.355 0.574 1.00 53.15 H new ATOM 0 HB2 GLU A 140 4.594 13.933 3.093 1.00 54.31 H new ATOM 0 HB3 GLU A 140 3.985 14.653 1.615 1.00 54.31 H new ATOM 0 HG2 GLU A 140 1.842 13.481 1.850 1.00 74.42 H new ATOM 0 HG3 GLU A 140 2.444 12.555 3.211 1.00 74.42 H new ATOM 2124 N ALA A 141 6.994 12.558 1.542 1.00 15.54 N ATOM 2125 CA ALA A 141 8.389 12.797 1.108 1.00 45.22 C ATOM 2126 C ALA A 141 8.759 11.849 -0.046 1.00 34.45 C ATOM 2127 O ALA A 141 9.297 12.282 -1.072 1.00 51.44 O ATOM 2128 CB ALA A 141 9.355 12.621 2.295 1.00 21.12 C ATOM 0 H ALA A 141 6.922 12.087 2.444 1.00 15.54 H new ATOM 0 HA ALA A 141 8.475 13.822 0.747 1.00 45.22 H new ATOM 0 HB1 ALA A 141 10.377 12.800 1.962 1.00 21.12 H new ATOM 0 HB2 ALA A 141 9.100 13.332 3.080 1.00 21.12 H new ATOM 0 HB3 ALA A 141 9.272 11.606 2.684 1.00 21.12 H new ATOM 2134 N MET A 142 8.424 10.555 0.136 1.00 20.24 N ATOM 2135 CA MET A 142 8.660 9.506 -0.874 1.00 42.31 C ATOM 2136 C MET A 142 7.754 9.711 -2.104 1.00 73.43 C ATOM 2137 O MET A 142 8.145 9.358 -3.223 1.00 71.43 O ATOM 2138 CB MET A 142 8.450 8.097 -0.261 1.00 20.42 C ATOM 2139 CG MET A 142 7.030 7.829 0.236 1.00 10.32 C ATOM 2140 SD MET A 142 6.847 6.270 1.115 1.00 53.04 S ATOM 2141 CE MET A 142 7.000 5.113 -0.229 1.00 34.43 C ATOM 0 H MET A 142 7.982 10.209 0.988 1.00 20.24 H new ATOM 0 HA MET A 142 9.696 9.582 -1.205 1.00 42.31 H new ATOM 0 HB2 MET A 142 8.708 7.347 -1.009 1.00 20.42 H new ATOM 0 HB3 MET A 142 9.143 7.969 0.571 1.00 20.42 H new ATOM 0 HG2 MET A 142 6.726 8.643 0.894 1.00 10.32 H new ATOM 0 HG3 MET A 142 6.350 7.836 -0.616 1.00 10.32 H new ATOM 0 HE1 MET A 142 7.590 4.256 0.094 1.00 34.43 H new ATOM 0 HE2 MET A 142 6.009 4.777 -0.534 1.00 34.43 H new ATOM 0 HE3 MET A 142 7.495 5.597 -1.071 1.00 34.43 H new ATOM 2151 N GLU A 143 6.545 10.298 -1.873 1.00 70.14 N ATOM 2152 CA GLU A 143 5.604 10.671 -2.949 1.00 51.32 C ATOM 2153 C GLU A 143 6.277 11.590 -3.991 1.00 2.45 C ATOM 2154 O GLU A 143 6.093 11.418 -5.203 1.00 3.31 O ATOM 2155 CB GLU A 143 4.363 11.397 -2.385 1.00 73.23 C ATOM 2156 CG GLU A 143 3.326 11.794 -3.472 1.00 62.32 C ATOM 2157 CD GLU A 143 2.315 12.858 -3.040 1.00 74.43 C ATOM 2158 OE1 GLU A 143 2.667 13.737 -2.222 1.00 34.41 O ATOM 2159 OE2 GLU A 143 1.182 12.861 -3.563 1.00 22.52 O ATOM 0 H GLU A 143 6.205 10.521 -0.938 1.00 70.14 H new ATOM 0 HA GLU A 143 5.296 9.741 -3.428 1.00 51.32 H new ATOM 0 HB2 GLU A 143 3.879 10.753 -1.651 1.00 73.23 H new ATOM 0 HB3 GLU A 143 4.686 12.295 -1.858 1.00 73.23 H new ATOM 0 HG2 GLU A 143 3.862 12.158 -4.349 1.00 62.32 H new ATOM 0 HG3 GLU A 143 2.782 10.900 -3.778 1.00 62.32 H new ATOM 2166 N ARG A 144 7.067 12.556 -3.484 1.00 12.04 N ATOM 2167 CA ARG A 144 7.767 13.556 -4.309 1.00 52.52 C ATOM 2168 C ARG A 144 8.824 12.917 -5.223 1.00 15.33 C ATOM 2169 O ARG A 144 9.186 13.505 -6.243 1.00 64.53 O ATOM 2170 CB ARG A 144 8.421 14.626 -3.403 1.00 54.10 C ATOM 2171 CG ARG A 144 7.406 15.526 -2.667 1.00 43.41 C ATOM 2172 CD ARG A 144 8.084 16.495 -1.695 1.00 51.20 C ATOM 2173 NE ARG A 144 9.106 17.338 -2.358 1.00 74.04 N ATOM 2174 CZ ARG A 144 10.352 17.549 -1.900 1.00 60.31 C ATOM 2175 NH1 ARG A 144 10.767 16.987 -0.771 1.00 30.45 N ATOM 2176 NH2 ARG A 144 11.180 18.324 -2.585 1.00 5.45 N ATOM 0 H ARG A 144 7.238 12.664 -2.484 1.00 12.04 H new ATOM 0 HA ARG A 144 7.024 14.027 -4.953 1.00 52.52 H new ATOM 0 HB2 ARG A 144 9.052 14.128 -2.666 1.00 54.10 H new ATOM 0 HB3 ARG A 144 9.074 15.253 -4.010 1.00 54.10 H new ATOM 0 HG2 ARG A 144 6.830 16.093 -3.398 1.00 43.41 H new ATOM 0 HG3 ARG A 144 6.700 14.901 -2.120 1.00 43.41 H new ATOM 0 HD2 ARG A 144 7.329 17.135 -1.239 1.00 51.20 H new ATOM 0 HD3 ARG A 144 8.551 15.929 -0.889 1.00 51.20 H new ATOM 0 HE ARG A 144 8.843 17.795 -3.231 1.00 74.04 H new ATOM 0 HH11 ARG A 144 10.138 16.386 -0.239 1.00 30.45 H new ATOM 0 HH12 ARG A 144 11.715 17.156 -0.436 1.00 30.45 H new ATOM 0 HH21 ARG A 144 10.871 18.757 -3.455 1.00 5.45 H new ATOM 0 HH22 ARG A 144 12.127 18.488 -2.242 1.00 5.45 H new ATOM 2190 N PHE A 145 9.311 11.714 -4.852 1.00 23.42 N ATOM 2191 CA PHE A 145 10.322 10.981 -5.644 1.00 33.23 C ATOM 2192 C PHE A 145 9.679 10.171 -6.788 1.00 52.52 C ATOM 2193 O PHE A 145 10.391 9.525 -7.555 1.00 32.34 O ATOM 2194 CB PHE A 145 11.156 10.045 -4.731 1.00 10.52 C ATOM 2195 CG PHE A 145 11.993 10.762 -3.672 1.00 33.25 C ATOM 2196 CD1 PHE A 145 12.956 11.700 -4.042 1.00 53.03 C ATOM 2197 CD2 PHE A 145 11.837 10.479 -2.317 1.00 35.21 C ATOM 2198 CE1 PHE A 145 13.728 12.332 -3.088 1.00 54.42 C ATOM 2199 CE2 PHE A 145 12.606 11.115 -1.363 1.00 25.35 C ATOM 2200 CZ PHE A 145 13.552 12.041 -1.748 1.00 44.23 C ATOM 0 H PHE A 145 9.019 11.228 -4.004 1.00 23.42 H new ATOM 0 HA PHE A 145 10.982 11.723 -6.093 1.00 33.23 H new ATOM 0 HB2 PHE A 145 10.480 9.351 -4.231 1.00 10.52 H new ATOM 0 HB3 PHE A 145 11.820 9.448 -5.356 1.00 10.52 H new ATOM 0 HD1 PHE A 145 13.099 11.935 -5.086 1.00 53.03 H new ATOM 0 HD2 PHE A 145 11.102 9.750 -2.008 1.00 35.21 H new ATOM 0 HE1 PHE A 145 14.471 13.055 -3.389 1.00 54.42 H new ATOM 0 HE2 PHE A 145 12.467 10.887 -0.316 1.00 25.35 H new ATOM 0 HZ PHE A 145 14.155 12.539 -1.003 1.00 44.23 H new ATOM 2210 N GLY A 146 8.343 10.213 -6.903 1.00 21.21 N ATOM 2211 CA GLY A 146 7.629 9.525 -7.982 1.00 13.25 C ATOM 2212 C GLY A 146 7.305 10.443 -9.149 1.00 53.51 C ATOM 2213 O GLY A 146 7.480 11.662 -9.060 1.00 61.21 O ATOM 0 H GLY A 146 7.736 10.719 -6.258 1.00 21.21 H new ATOM 0 HA2 GLY A 146 8.234 8.691 -8.338 1.00 13.25 H new ATOM 0 HA3 GLY A 146 6.704 9.103 -7.589 1.00 13.25 H new ATOM 2217 N SER A 147 6.802 9.855 -10.240 1.00 52.42 N ATOM 2218 CA SER A 147 6.460 10.581 -11.485 1.00 72.44 C ATOM 2219 C SER A 147 5.021 10.246 -11.904 1.00 74.23 C ATOM 2220 O SER A 147 4.488 9.197 -11.530 1.00 5.34 O ATOM 2221 CB SER A 147 7.460 10.225 -12.609 1.00 24.55 C ATOM 2222 OG SER A 147 8.795 10.408 -12.176 1.00 32.11 O ATOM 0 H SER A 147 6.616 8.853 -10.292 1.00 52.42 H new ATOM 0 HA SER A 147 6.528 11.654 -11.303 1.00 72.44 H new ATOM 0 HB2 SER A 147 7.313 9.190 -12.918 1.00 24.55 H new ATOM 0 HB3 SER A 147 7.268 10.848 -13.482 1.00 24.55 H new ATOM 0 HG SER A 147 9.095 9.609 -11.694 1.00 32.11 H new ATOM 2228 N ARG A 148 4.414 11.158 -12.685 1.00 55.43 N ATOM 2229 CA ARG A 148 2.996 11.095 -13.104 1.00 15.23 C ATOM 2230 C ARG A 148 2.647 9.811 -13.880 1.00 72.15 C ATOM 2231 O ARG A 148 1.517 9.315 -13.787 1.00 43.13 O ATOM 2232 CB ARG A 148 2.643 12.349 -13.949 1.00 33.13 C ATOM 2233 CG ARG A 148 2.612 13.667 -13.147 1.00 31.45 C ATOM 2234 CD ARG A 148 1.475 13.685 -12.109 1.00 21.43 C ATOM 2235 NE ARG A 148 0.159 13.440 -12.739 1.00 11.52 N ATOM 2236 CZ ARG A 148 -0.818 14.351 -12.885 1.00 61.11 C ATOM 2237 NH1 ARG A 148 -0.672 15.599 -12.439 1.00 64.51 N ATOM 2238 NH2 ARG A 148 -1.949 14.008 -13.475 1.00 33.13 N ATOM 0 H ARG A 148 4.902 11.976 -13.051 1.00 55.43 H new ATOM 0 HA ARG A 148 2.396 11.075 -12.194 1.00 15.23 H new ATOM 0 HB2 ARG A 148 3.370 12.445 -14.756 1.00 33.13 H new ATOM 0 HB3 ARG A 148 1.669 12.197 -14.414 1.00 33.13 H new ATOM 0 HG2 ARG A 148 3.567 13.806 -12.641 1.00 31.45 H new ATOM 0 HG3 ARG A 148 2.490 14.506 -13.833 1.00 31.45 H new ATOM 0 HD2 ARG A 148 1.663 12.926 -11.350 1.00 21.43 H new ATOM 0 HD3 ARG A 148 1.462 14.649 -11.600 1.00 21.43 H new ATOM 0 HE ARG A 148 -0.022 12.500 -13.092 1.00 11.52 H new ATOM 0 HH11 ARG A 148 0.194 15.877 -11.977 1.00 64.51 H new ATOM 0 HH12 ARG A 148 -1.426 16.275 -12.560 1.00 64.51 H new ATOM 0 HH21 ARG A 148 -2.077 13.056 -13.817 1.00 33.13 H new ATOM 0 HH22 ARG A 148 -2.694 14.695 -13.588 1.00 33.13 H new ATOM 2252 N ASN A 149 3.627 9.283 -14.628 1.00 74.10 N ATOM 2253 CA ASN A 149 3.452 8.078 -15.462 1.00 64.13 C ATOM 2254 C ASN A 149 3.483 6.782 -14.620 1.00 62.21 C ATOM 2255 O ASN A 149 3.130 5.711 -15.120 1.00 3.43 O ATOM 2256 CB ASN A 149 4.536 8.032 -16.577 1.00 72.14 C ATOM 2257 CG ASN A 149 5.983 7.881 -16.065 1.00 24.14 C ATOM 2258 OD1 ASN A 149 6.326 8.327 -14.969 1.00 2.42 O ATOM 2259 ND2 ASN A 149 6.844 7.255 -16.859 1.00 11.44 N ATOM 0 H ASN A 149 4.566 9.678 -14.674 1.00 74.10 H new ATOM 0 HA ASN A 149 2.467 8.139 -15.925 1.00 64.13 H new ATOM 0 HB2 ASN A 149 4.314 7.201 -17.247 1.00 72.14 H new ATOM 0 HB3 ASN A 149 4.468 8.945 -17.168 1.00 72.14 H new ATOM 0 HD21 ASN A 149 7.814 7.135 -16.566 1.00 11.44 H new ATOM 0 HD22 ASN A 149 6.536 6.895 -17.762 1.00 11.44 H new ATOM 2266 N GLY A 150 3.908 6.893 -13.346 1.00 71.11 N ATOM 2267 CA GLY A 150 3.980 5.747 -12.424 1.00 45.43 C ATOM 2268 C GLY A 150 5.400 5.279 -12.163 1.00 42.32 C ATOM 2269 O GLY A 150 5.601 4.254 -11.514 1.00 62.25 O ATOM 0 H GLY A 150 4.209 7.775 -12.931 1.00 71.11 H new ATOM 0 HA2 GLY A 150 3.515 6.021 -11.477 1.00 45.43 H new ATOM 0 HA3 GLY A 150 3.402 4.920 -12.836 1.00 45.43 H new ATOM 2273 N LYS A 151 6.386 6.019 -12.682 1.00 23.51 N ATOM 2274 CA LYS A 151 7.811 5.708 -12.488 1.00 23.33 C ATOM 2275 C LYS A 151 8.330 6.411 -11.234 1.00 70.23 C ATOM 2276 O LYS A 151 8.244 7.632 -11.125 1.00 42.22 O ATOM 2277 CB LYS A 151 8.623 6.155 -13.732 1.00 15.45 C ATOM 2278 CG LYS A 151 10.153 5.941 -13.631 1.00 3.41 C ATOM 2279 CD LYS A 151 10.905 6.433 -14.890 1.00 14.44 C ATOM 2280 CE LYS A 151 12.433 6.331 -14.759 1.00 41.31 C ATOM 2281 NZ LYS A 151 13.129 6.839 -15.971 1.00 21.32 N ATOM 0 H LYS A 151 6.221 6.851 -13.249 1.00 23.51 H new ATOM 0 HA LYS A 151 7.929 4.632 -12.361 1.00 23.33 H new ATOM 0 HB2 LYS A 151 8.253 5.613 -14.602 1.00 15.45 H new ATOM 0 HB3 LYS A 151 8.431 7.213 -13.911 1.00 15.45 H new ATOM 0 HG2 LYS A 151 10.533 6.468 -12.756 1.00 3.41 H new ATOM 0 HG3 LYS A 151 10.359 4.881 -13.480 1.00 3.41 H new ATOM 0 HD2 LYS A 151 10.581 5.849 -15.751 1.00 14.44 H new ATOM 0 HD3 LYS A 151 10.632 7.470 -15.087 1.00 14.44 H new ATOM 0 HE2 LYS A 151 12.761 6.898 -13.888 1.00 41.31 H new ATOM 0 HE3 LYS A 151 12.714 5.292 -14.588 1.00 41.31 H new ATOM 0 HZ1 LYS A 151 14.157 6.753 -15.843 1.00 21.32 H new ATOM 0 HZ2 LYS A 151 12.836 6.282 -16.799 1.00 21.32 H new ATOM 0 HZ3 LYS A 151 12.881 7.838 -16.120 1.00 21.32 H new ATOM 2295 N THR A 152 8.872 5.638 -10.296 1.00 21.52 N ATOM 2296 CA THR A 152 9.500 6.190 -9.103 1.00 54.05 C ATOM 2297 C THR A 152 10.993 6.413 -9.387 1.00 30.22 C ATOM 2298 O THR A 152 11.734 5.447 -9.601 1.00 50.03 O ATOM 2299 CB THR A 152 9.321 5.243 -7.887 1.00 63.14 C ATOM 2300 OG1 THR A 152 7.941 4.876 -7.777 1.00 15.04 O ATOM 2301 CG2 THR A 152 9.778 5.909 -6.583 1.00 31.34 C ATOM 0 H THR A 152 8.887 4.619 -10.342 1.00 21.52 H new ATOM 0 HA THR A 152 9.022 7.138 -8.856 1.00 54.05 H new ATOM 0 HB THR A 152 9.938 4.359 -8.048 1.00 63.14 H new ATOM 0 HG1 THR A 152 7.850 4.130 -7.148 1.00 15.04 H new ATOM 0 HG21 THR A 152 9.638 5.217 -5.753 1.00 31.34 H new ATOM 0 HG22 THR A 152 10.832 6.175 -6.660 1.00 31.34 H new ATOM 0 HG23 THR A 152 9.189 6.809 -6.408 1.00 31.34 H new ATOM 2309 N SER A 153 11.403 7.696 -9.405 1.00 2.42 N ATOM 2310 CA SER A 153 12.788 8.133 -9.692 1.00 13.31 C ATOM 2311 C SER A 153 13.826 7.419 -8.800 1.00 34.21 C ATOM 2312 O SER A 153 14.943 7.127 -9.239 1.00 12.43 O ATOM 2313 CB SER A 153 12.895 9.663 -9.492 1.00 72.11 C ATOM 2314 OG SER A 153 11.835 10.341 -10.152 1.00 0.32 O ATOM 0 H SER A 153 10.771 8.474 -9.217 1.00 2.42 H new ATOM 0 HA SER A 153 13.010 7.868 -10.725 1.00 13.31 H new ATOM 0 HB2 SER A 153 12.873 9.896 -8.427 1.00 72.11 H new ATOM 0 HB3 SER A 153 13.852 10.017 -9.876 1.00 72.11 H new ATOM 0 HG SER A 153 11.925 11.306 -10.009 1.00 0.32 H new ATOM 2320 N LYS A 154 13.411 7.110 -7.565 1.00 32.12 N ATOM 2321 CA LYS A 154 14.264 6.512 -6.529 1.00 54.04 C ATOM 2322 C LYS A 154 13.864 5.056 -6.275 1.00 4.52 C ATOM 2323 O LYS A 154 12.698 4.684 -6.433 1.00 12.00 O ATOM 2324 CB LYS A 154 14.117 7.325 -5.220 1.00 1.15 C ATOM 2325 CG LYS A 154 14.765 8.725 -5.250 1.00 44.42 C ATOM 2326 CD LYS A 154 16.301 8.645 -5.374 1.00 30.15 C ATOM 2327 CE LYS A 154 17.001 9.976 -5.097 1.00 64.22 C ATOM 2328 NZ LYS A 154 18.479 9.830 -5.132 1.00 25.32 N ATOM 0 H LYS A 154 12.454 7.272 -7.251 1.00 32.12 H new ATOM 0 HA LYS A 154 15.300 6.533 -6.868 1.00 54.04 H new ATOM 0 HB2 LYS A 154 13.056 7.436 -4.995 1.00 1.15 H new ATOM 0 HB3 LYS A 154 14.558 6.754 -4.403 1.00 1.15 H new ATOM 0 HG2 LYS A 154 14.362 9.294 -6.088 1.00 44.42 H new ATOM 0 HG3 LYS A 154 14.502 9.267 -4.341 1.00 44.42 H new ATOM 0 HD2 LYS A 154 16.676 7.894 -4.679 1.00 30.15 H new ATOM 0 HD3 LYS A 154 16.560 8.308 -6.378 1.00 30.15 H new ATOM 0 HE2 LYS A 154 16.689 10.713 -5.837 1.00 64.22 H new ATOM 0 HE3 LYS A 154 16.694 10.354 -4.122 1.00 64.22 H new ATOM 0 HZ1 LYS A 154 18.923 10.713 -4.809 1.00 25.32 H new ATOM 0 HZ2 LYS A 154 18.766 9.050 -4.507 1.00 25.32 H new ATOM 0 HZ3 LYS A 154 18.785 9.625 -6.105 1.00 25.32 H new ATOM 2342 N LYS A 155 14.853 4.237 -5.879 1.00 14.41 N ATOM 2343 CA LYS A 155 14.608 2.857 -5.442 1.00 71.35 C ATOM 2344 C LYS A 155 14.190 2.880 -3.968 1.00 52.22 C ATOM 2345 O LYS A 155 15.026 2.837 -3.060 1.00 21.34 O ATOM 2346 CB LYS A 155 15.873 1.979 -5.668 1.00 70.34 C ATOM 2347 CG LYS A 155 16.245 1.798 -7.155 1.00 71.42 C ATOM 2348 CD LYS A 155 15.133 1.081 -7.958 1.00 15.21 C ATOM 2349 CE LYS A 155 15.472 0.926 -9.445 1.00 1.44 C ATOM 2350 NZ LYS A 155 14.397 0.203 -10.173 1.00 43.24 N ATOM 0 H LYS A 155 15.835 4.512 -5.854 1.00 14.41 H new ATOM 0 HA LYS A 155 13.806 2.413 -6.031 1.00 71.35 H new ATOM 0 HB2 LYS A 155 16.716 2.430 -5.144 1.00 70.34 H new ATOM 0 HB3 LYS A 155 15.708 0.998 -5.222 1.00 70.34 H new ATOM 0 HG2 LYS A 155 16.439 2.774 -7.600 1.00 71.42 H new ATOM 0 HG3 LYS A 155 17.169 1.225 -7.228 1.00 71.42 H new ATOM 0 HD2 LYS A 155 14.959 0.095 -7.526 1.00 15.21 H new ATOM 0 HD3 LYS A 155 14.203 1.641 -7.860 1.00 15.21 H new ATOM 0 HE2 LYS A 155 15.618 1.910 -9.891 1.00 1.44 H new ATOM 0 HE3 LYS A 155 16.413 0.385 -9.551 1.00 1.44 H new ATOM 0 HZ1 LYS A 155 14.656 0.114 -11.176 1.00 43.24 H new ATOM 0 HZ2 LYS A 155 14.276 -0.744 -9.762 1.00 43.24 H new ATOM 0 HZ3 LYS A 155 13.506 0.733 -10.091 1.00 43.24 H new ATOM 2364 N ILE A 156 12.875 2.983 -3.756 1.00 45.30 N ATOM 2365 CA ILE A 156 12.279 3.113 -2.427 1.00 63.03 C ATOM 2366 C ILE A 156 11.744 1.751 -1.985 1.00 33.35 C ATOM 2367 O ILE A 156 10.774 1.263 -2.543 1.00 4.33 O ATOM 2368 CB ILE A 156 11.147 4.206 -2.411 1.00 3.44 C ATOM 2369 CG1 ILE A 156 11.721 5.564 -2.928 1.00 11.51 C ATOM 2370 CG2 ILE A 156 10.540 4.358 -0.994 1.00 74.51 C ATOM 2371 CD1 ILE A 156 10.734 6.713 -2.980 1.00 3.43 C ATOM 0 H ILE A 156 12.189 2.978 -4.511 1.00 45.30 H new ATOM 0 HA ILE A 156 13.043 3.443 -1.723 1.00 63.03 H new ATOM 0 HB ILE A 156 10.342 3.890 -3.075 1.00 3.44 H new ATOM 0 HG12 ILE A 156 12.555 5.853 -2.288 1.00 11.51 H new ATOM 0 HG13 ILE A 156 12.125 5.410 -3.928 1.00 11.51 H new ATOM 0 HG21 ILE A 156 9.760 5.120 -1.012 1.00 74.51 H new ATOM 0 HG22 ILE A 156 10.111 3.407 -0.678 1.00 74.51 H new ATOM 0 HG23 ILE A 156 11.321 4.654 -0.294 1.00 74.51 H new ATOM 0 HD11 ILE A 156 11.235 7.606 -3.352 1.00 3.43 H new ATOM 0 HD12 ILE A 156 9.910 6.455 -3.645 1.00 3.43 H new ATOM 0 HD13 ILE A 156 10.346 6.905 -1.980 1.00 3.43 H new ATOM 2383 N THR A 157 12.419 1.128 -1.011 1.00 42.05 N ATOM 2384 CA THR A 157 12.108 -0.229 -0.529 1.00 72.32 C ATOM 2385 C THR A 157 11.719 -0.197 0.957 1.00 62.01 C ATOM 2386 O THR A 157 12.019 0.771 1.668 1.00 11.21 O ATOM 2387 CB THR A 157 13.353 -1.157 -0.730 1.00 42.12 C ATOM 2388 OG1 THR A 157 14.499 -0.589 -0.061 1.00 33.21 O ATOM 2389 CG2 THR A 157 13.678 -1.367 -2.226 1.00 70.35 C ATOM 0 H THR A 157 13.208 1.556 -0.527 1.00 42.05 H new ATOM 0 HA THR A 157 11.266 -0.619 -1.101 1.00 72.32 H new ATOM 0 HB THR A 157 13.114 -2.129 -0.300 1.00 42.12 H new ATOM 0 HG1 THR A 157 15.275 -1.174 -0.188 1.00 33.21 H new ATOM 0 HG21 THR A 157 14.548 -2.017 -2.322 1.00 70.35 H new ATOM 0 HG22 THR A 157 12.824 -1.828 -2.722 1.00 70.35 H new ATOM 0 HG23 THR A 157 13.891 -0.404 -2.691 1.00 70.35 H new ATOM 2397 N ILE A 158 11.018 -1.252 1.418 1.00 45.24 N ATOM 2398 CA ILE A 158 10.754 -1.462 2.852 1.00 51.52 C ATOM 2399 C ILE A 158 12.034 -2.016 3.524 1.00 45.41 C ATOM 2400 O ILE A 158 12.291 -3.223 3.478 1.00 30.23 O ATOM 2401 CB ILE A 158 9.528 -2.431 3.092 1.00 11.32 C ATOM 2402 CG1 ILE A 158 8.240 -1.868 2.408 1.00 21.42 C ATOM 2403 CG2 ILE A 158 9.295 -2.678 4.605 1.00 21.30 C ATOM 2404 CD1 ILE A 158 6.992 -2.731 2.550 1.00 55.31 C ATOM 0 H ILE A 158 10.624 -1.973 0.814 1.00 45.24 H new ATOM 0 HA ILE A 158 10.488 -0.505 3.300 1.00 51.52 H new ATOM 0 HB ILE A 158 9.763 -3.393 2.635 1.00 11.32 H new ATOM 0 HG12 ILE A 158 8.029 -0.883 2.825 1.00 21.42 H new ATOM 0 HG13 ILE A 158 8.445 -1.728 1.347 1.00 21.42 H new ATOM 0 HG21 ILE A 158 8.445 -3.348 4.738 1.00 21.30 H new ATOM 0 HG22 ILE A 158 10.186 -3.130 5.041 1.00 21.30 H new ATOM 0 HG23 ILE A 158 9.090 -1.729 5.101 1.00 21.30 H new ATOM 0 HD11 ILE A 158 6.157 -2.250 2.040 1.00 55.31 H new ATOM 0 HD12 ILE A 158 7.174 -3.709 2.105 1.00 55.31 H new ATOM 0 HD13 ILE A 158 6.751 -2.852 3.606 1.00 55.31 H new ATOM 2416 N ALA A 159 12.851 -1.101 4.091 1.00 64.21 N ATOM 2417 CA ALA A 159 14.135 -1.423 4.760 1.00 14.31 C ATOM 2418 C ALA A 159 13.983 -2.524 5.820 1.00 53.32 C ATOM 2419 O ALA A 159 14.743 -3.503 5.821 1.00 1.01 O ATOM 2420 CB ALA A 159 14.734 -0.160 5.403 1.00 20.23 C ATOM 0 H ALA A 159 12.636 -0.104 4.098 1.00 64.21 H new ATOM 0 HA ALA A 159 14.809 -1.799 3.990 1.00 14.31 H new ATOM 0 HB1 ALA A 159 15.676 -0.412 5.890 1.00 20.23 H new ATOM 0 HB2 ALA A 159 14.913 0.590 4.633 1.00 20.23 H new ATOM 0 HB3 ALA A 159 14.038 0.237 6.142 1.00 20.23 H new ATOM 2426 N ASP A 160 12.984 -2.360 6.712 1.00 64.30 N ATOM 2427 CA ASP A 160 12.729 -3.328 7.792 1.00 12.43 C ATOM 2428 C ASP A 160 11.243 -3.312 8.218 1.00 33.40 C ATOM 2429 O ASP A 160 10.462 -2.470 7.761 1.00 22.55 O ATOM 2430 CB ASP A 160 13.699 -3.077 8.983 1.00 30.33 C ATOM 2431 CG ASP A 160 13.817 -4.282 9.933 1.00 11.11 C ATOM 2432 OD1 ASP A 160 14.057 -5.411 9.435 1.00 63.41 O ATOM 2433 OD2 ASP A 160 13.646 -4.126 11.165 1.00 11.34 O ATOM 0 H ASP A 160 12.343 -1.566 6.703 1.00 64.30 H new ATOM 0 HA ASP A 160 12.929 -4.333 7.419 1.00 12.43 H new ATOM 0 HB2 ASP A 160 14.687 -2.832 8.593 1.00 30.33 H new ATOM 0 HB3 ASP A 160 13.355 -2.210 9.547 1.00 30.33 H new ATOM 2438 N CYS A 161 10.861 -4.295 9.042 1.00 64.12 N ATOM 2439 CA CYS A 161 9.489 -4.509 9.525 1.00 60.02 C ATOM 2440 C CYS A 161 9.542 -4.831 11.026 1.00 40.01 C ATOM 2441 O CYS A 161 10.595 -4.681 11.662 1.00 70.43 O ATOM 2442 CB CYS A 161 8.828 -5.661 8.712 1.00 73.31 C ATOM 2443 SG CYS A 161 8.905 -5.439 6.922 1.00 44.00 S ATOM 0 H CYS A 161 11.518 -4.986 9.403 1.00 64.12 H new ATOM 0 HA CYS A 161 8.884 -3.613 9.384 1.00 60.02 H new ATOM 0 HB2 CYS A 161 9.315 -6.601 8.972 1.00 73.31 H new ATOM 0 HB3 CYS A 161 7.784 -5.750 9.012 1.00 73.31 H new ATOM 0 HG CYS A 161 7.911 -4.696 6.534 1.00 44.00 H new ATOM 2449 N GLY A 162 8.408 -5.280 11.590 1.00 72.32 N ATOM 2450 CA GLY A 162 8.285 -5.477 13.035 1.00 34.43 C ATOM 2451 C GLY A 162 7.008 -4.866 13.558 1.00 20.40 C ATOM 2452 O GLY A 162 7.046 -4.036 14.462 1.00 24.03 O ATOM 0 H GLY A 162 7.566 -5.512 11.063 1.00 72.32 H new ATOM 0 HA2 GLY A 162 8.302 -6.543 13.263 1.00 34.43 H new ATOM 0 HA3 GLY A 162 9.140 -5.029 13.541 1.00 34.43 H new ATOM 2456 N GLN A 163 5.881 -5.270 12.923 1.00 41.21 N ATOM 2457 CA GLN A 163 4.516 -4.768 13.201 1.00 24.12 C ATOM 2458 C GLN A 163 4.203 -4.725 14.716 1.00 51.53 C ATOM 2459 O GLN A 163 3.977 -5.760 15.352 1.00 14.02 O ATOM 2460 CB GLN A 163 3.485 -5.659 12.440 1.00 4.31 C ATOM 2461 CG GLN A 163 2.001 -5.455 12.839 1.00 10.42 C ATOM 2462 CD GLN A 163 1.006 -6.220 11.967 1.00 14.33 C ATOM 2463 OE1 GLN A 163 1.328 -7.262 11.410 1.00 71.20 O ATOM 2464 NE2 GLN A 163 -0.222 -5.721 11.864 1.00 54.14 N ATOM 0 H GLN A 163 5.898 -5.973 12.184 1.00 41.21 H new ATOM 0 HA GLN A 163 4.447 -3.739 12.847 1.00 24.12 H new ATOM 0 HB2 GLN A 163 3.585 -5.468 11.372 1.00 4.31 H new ATOM 0 HB3 GLN A 163 3.746 -6.705 12.602 1.00 4.31 H new ATOM 0 HG2 GLN A 163 1.870 -5.763 13.876 1.00 10.42 H new ATOM 0 HG3 GLN A 163 1.766 -4.392 12.791 1.00 10.42 H new ATOM 0 HE21 GLN A 163 -0.460 -4.851 12.340 1.00 54.14 H new ATOM 0 HE22 GLN A 163 -0.926 -6.208 11.309 1.00 54.14 H new ATOM 2473 N LEU A 164 4.231 -3.504 15.279 1.00 73.23 N ATOM 2474 CA LEU A 164 3.970 -3.269 16.704 1.00 63.41 C ATOM 2475 C LEU A 164 2.473 -3.002 16.853 1.00 2.25 C ATOM 2476 O LEU A 164 2.036 -1.869 16.638 1.00 32.11 O ATOM 2477 CB LEU A 164 4.783 -2.030 17.198 1.00 20.22 C ATOM 2478 CG LEU A 164 6.326 -2.050 16.962 1.00 52.13 C ATOM 2479 CD1 LEU A 164 6.974 -0.718 17.394 1.00 12.21 C ATOM 2480 CD2 LEU A 164 6.982 -3.248 17.673 1.00 11.51 C ATOM 0 H LEU A 164 4.436 -2.653 14.755 1.00 73.23 H new ATOM 0 HA LEU A 164 4.271 -4.131 17.299 1.00 63.41 H new ATOM 0 HB2 LEU A 164 4.378 -1.144 16.710 1.00 20.22 H new ATOM 0 HB3 LEU A 164 4.606 -1.914 18.267 1.00 20.22 H new ATOM 0 HG LEU A 164 6.497 -2.168 15.892 1.00 52.13 H new ATOM 0 HD11 LEU A 164 8.049 -0.762 17.218 1.00 12.21 H new ATOM 0 HD12 LEU A 164 6.545 0.100 16.815 1.00 12.21 H new ATOM 0 HD13 LEU A 164 6.787 -0.550 18.455 1.00 12.21 H new ATOM 0 HD21 LEU A 164 8.057 -3.236 17.491 1.00 11.51 H new ATOM 0 HD22 LEU A 164 6.795 -3.182 18.745 1.00 11.51 H new ATOM 0 HD23 LEU A 164 6.559 -4.176 17.288 1.00 11.51 H new ATOM 2540 N PRO B 218 -1.210 -3.310 -12.345 1.00 14.33 N ATOM 2541 CA PRO B 218 -2.437 -3.135 -11.529 1.00 24.32 C ATOM 2542 C PRO B 218 -2.370 -1.840 -10.688 1.00 53.52 C ATOM 2543 O PRO B 218 -1.278 -1.386 -10.322 1.00 44.31 O ATOM 2544 CB PRO B 218 -2.476 -4.407 -10.620 1.00 35.13 C ATOM 2545 CG PRO B 218 -1.463 -5.347 -11.211 1.00 53.23 C ATOM 2546 CD PRO B 218 -0.417 -4.471 -11.872 1.00 12.34 C ATOM 0 HA PRO B 218 -3.334 -3.036 -12.140 1.00 24.32 H new ATOM 0 HB2 PRO B 218 -2.229 -4.160 -9.587 1.00 35.13 H new ATOM 0 HB3 PRO B 218 -3.470 -4.854 -10.612 1.00 35.13 H new ATOM 0 HG2 PRO B 218 -1.016 -5.974 -10.440 1.00 53.23 H new ATOM 0 HG3 PRO B 218 -1.927 -6.015 -11.936 1.00 53.23 H new ATOM 0 HD2 PRO B 218 0.361 -4.170 -11.170 1.00 12.34 H new ATOM 0 HD3 PRO B 218 0.079 -4.985 -12.696 1.00 12.34 H new ATOM 2554 N GLY B 219 -3.541 -1.256 -10.403 1.00 11.02 N ATOM 2555 CA GLY B 219 -3.651 -0.052 -9.575 1.00 63.01 C ATOM 2556 C GLY B 219 -4.519 1.027 -10.228 1.00 40.14 C ATOM 2557 O GLY B 219 -4.752 0.972 -11.439 1.00 45.23 O ATOM 0 H GLY B 219 -4.438 -1.606 -10.741 1.00 11.02 H new ATOM 0 HA2 GLY B 219 -4.074 -0.318 -8.606 1.00 63.01 H new ATOM 0 HA3 GLY B 219 -2.655 0.350 -9.389 1.00 63.01 H new ATOM 2561 N PRO B 220 -4.981 2.051 -9.448 1.00 41.34 N ATOM 2562 CA PRO B 220 -5.915 3.109 -9.938 1.00 54.13 C ATOM 2563 C PRO B 220 -5.208 4.198 -10.779 1.00 62.05 C ATOM 2564 O PRO B 220 -4.000 4.395 -10.662 1.00 43.12 O ATOM 2565 CB PRO B 220 -6.466 3.691 -8.622 1.00 2.52 C ATOM 2566 CG PRO B 220 -5.320 3.561 -7.661 1.00 71.13 C ATOM 2567 CD PRO B 220 -4.617 2.266 -8.020 1.00 72.53 C ATOM 0 HA PRO B 220 -6.678 2.716 -10.610 1.00 54.13 H new ATOM 0 HB2 PRO B 220 -6.771 4.731 -8.742 1.00 2.52 H new ATOM 0 HB3 PRO B 220 -7.341 3.140 -8.277 1.00 2.52 H new ATOM 0 HG2 PRO B 220 -4.641 4.410 -7.746 1.00 71.13 H new ATOM 0 HG3 PRO B 220 -5.675 3.539 -6.631 1.00 71.13 H new ATOM 0 HD2 PRO B 220 -3.538 2.347 -7.890 1.00 72.53 H new ATOM 0 HD3 PRO B 220 -4.953 1.441 -7.392 1.00 72.53 H new ATOM 2575 N TYR B 221 -5.992 4.930 -11.585 1.00 3.32 N ATOM 2576 CA TYR B 221 -5.471 5.906 -12.560 1.00 34.22 C ATOM 2577 C TYR B 221 -5.233 7.282 -11.914 1.00 72.25 C ATOM 2578 O TYR B 221 -6.048 7.758 -11.105 1.00 70.34 O ATOM 2579 CB TYR B 221 -6.434 6.009 -13.766 1.00 51.00 C ATOM 2580 CG TYR B 221 -6.676 4.657 -14.454 1.00 22.21 C ATOM 2581 CD1 TYR B 221 -5.614 3.953 -15.032 1.00 0.41 C ATOM 2582 CD2 TYR B 221 -7.947 4.075 -14.504 1.00 4.34 C ATOM 2583 CE1 TYR B 221 -5.812 2.727 -15.632 1.00 52.32 C ATOM 2584 CE2 TYR B 221 -8.146 2.845 -15.098 1.00 13.23 C ATOM 2585 CZ TYR B 221 -7.078 2.177 -15.662 1.00 44.22 C ATOM 2586 OH TYR B 221 -7.274 0.947 -16.242 1.00 10.44 O ATOM 0 H TYR B 221 -7.010 4.863 -11.580 1.00 3.32 H new ATOM 0 HA TYR B 221 -4.503 5.553 -12.915 1.00 34.22 H new ATOM 0 HB2 TYR B 221 -7.388 6.416 -13.429 1.00 51.00 H new ATOM 0 HB3 TYR B 221 -6.026 6.712 -14.492 1.00 51.00 H new ATOM 0 HD1 TYR B 221 -4.621 4.377 -15.008 1.00 0.41 H new ATOM 0 HD2 TYR B 221 -8.787 4.597 -14.070 1.00 4.34 H new ATOM 0 HE1 TYR B 221 -4.981 2.200 -16.076 1.00 52.32 H new ATOM 0 HE2 TYR B 221 -9.133 2.407 -15.121 1.00 13.23 H new ATOM 0 HH TYR B 221 -8.221 0.703 -16.179 1.00 10.44 H new