USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 703 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 3 SER OG : rot 75:sc= 0.612 USER MOD Set 1.2: A 74 ASN :FLIP amide:sc= 0.52 F(o=-0.14,f=1.1) USER MOD Set 2.1: A 65 ASN :FLIP amide:sc= -0.563 F(o=-2,f=0.55) USER MOD Set 2.2: A 70 TYR OH : rot 154:sc= 1.11 USER MOD Set 3.1: A 55 GLN : amide:sc= -0.456 X(o=-1,f=-1.3) USER MOD Set 3.2: A 79 HIS : no HD1:sc= -0.549 X(o=-1,f=-0.53) USER MOD Set 4.1: A 20 ASN : amide:sc= -0.118 X(o=-2.6,f=-2.4) USER MOD Set 4.2: A 22 GLN : amide:sc= -2.49! C(o=-2.6!,f=-5.7!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN :FLIP amide:sc=-0.00472 F(o=-1.2,f=-0.0047) USER MOD Single : A 10 ASN :FLIP amide:sc= -2.63! C(o=-3.5!,f=-2.6!) USER MOD Single : A 11 MET CE :methyl -138:sc= -0.788 (180deg=-3.23!) USER MOD Single : A 12 GLN : amide:sc= 0.088 K(o=0.088,f=-7.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -157:sc= 1.53 USER MOD Single : A 18 LYS NZ :NH3+ 135:sc= -1.25 (180deg=-4.15!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc=-0.00117 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.698 F(o=-1.9!,f=-0.7) USER MOD Single : A 35 SER OG : rot -92:sc= 0.646 USER MOD Single : A 38 LYS NZ :NH3+ 156:sc= 0.0549 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -126:sc= -0.103 (180deg=-0.241) USER MOD Single : A 42 HIS : no HD1:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 45 THR OG1 : rot -59:sc= -0.788 USER MOD Single : A 47 MET CE :methyl 147:sc= -0.6 (180deg=-2.44!) USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= 0.0212! (180deg=-0.457!) USER MOD Single : A 52 GLN : amide:sc= -0.895 K(o=-0.89,f=-2.7) USER MOD Single : A 53 LYS NZ :NH3+ -133:sc= -3.44! (180deg=-8.2!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= -0.0247 (180deg=-0.196) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.129 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.0198 F(o=-0.55,f=-0.02) USER MOD Single : A 72 MET CE :methyl 166:sc= -0.583 (180deg=-0.777) USER MOD Single : A 83 LYS NZ :NH3+ 174:sc= 1.3 (180deg=1.16) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.749 -1.039 -0.941 1.00 0.00 N ATOM 2 CA PRO A 1 1.732 -0.937 -2.028 1.00 0.00 C ATOM 3 C PRO A 1 1.733 -2.215 -2.856 1.00 0.00 C ATOM 4 O PRO A 1 0.945 -3.125 -2.599 1.00 0.00 O ATOM 5 CB PRO A 1 3.100 -0.713 -1.415 1.00 0.00 C ATOM 6 CG PRO A 1 2.920 -1.053 0.027 1.00 0.00 C ATOM 7 CD PRO A 1 1.499 -1.561 0.210 1.00 0.00 C ATOM 0 H2 PRO A 1 -0.017 -1.662 -1.195 1.00 0.00 H new ATOM 0 H3 PRO A 1 0.337 -0.130 -0.731 1.00 0.00 H new ATOM 0 HA PRO A 1 1.476 -0.105 -2.684 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.853 -1.347 -1.882 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.429 0.319 -1.542 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.640 -1.812 0.333 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.096 -0.177 0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.471 -2.650 0.236 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.073 -1.208 1.149 1.00 0.00 H new ATOM 17 N VAL A 2 2.628 -2.295 -3.830 1.00 0.00 N ATOM 18 CA VAL A 2 2.717 -3.474 -4.679 1.00 0.00 C ATOM 19 C VAL A 2 4.115 -4.064 -4.620 1.00 0.00 C ATOM 20 O VAL A 2 5.086 -3.362 -4.324 1.00 0.00 O ATOM 21 CB VAL A 2 2.352 -3.182 -6.154 1.00 0.00 C ATOM 22 CG1 VAL A 2 0.969 -2.570 -6.253 1.00 0.00 C ATOM 23 CG2 VAL A 2 3.385 -2.283 -6.810 1.00 0.00 C ATOM 0 H VAL A 2 3.300 -1.561 -4.051 1.00 0.00 H new ATOM 0 HA VAL A 2 1.989 -4.187 -4.292 1.00 0.00 H new ATOM 0 HB VAL A 2 2.348 -4.131 -6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.732 -2.373 -7.299 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.235 -3.261 -5.839 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.944 -1.635 -5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.100 -2.097 -7.845 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.438 -1.336 -6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.360 -2.770 -6.784 1.00 0.00 H new ATOM 33 N SER A 3 4.211 -5.352 -4.889 1.00 0.00 N ATOM 34 CA SER A 3 5.481 -6.041 -4.828 1.00 0.00 C ATOM 35 C SER A 3 6.223 -5.892 -6.151 1.00 0.00 C ATOM 36 O SER A 3 5.692 -6.224 -7.212 1.00 0.00 O ATOM 37 CB SER A 3 5.261 -7.518 -4.506 1.00 0.00 C ATOM 38 OG SER A 3 4.332 -7.672 -3.441 1.00 0.00 O ATOM 0 H SER A 3 3.421 -5.942 -5.152 1.00 0.00 H new ATOM 0 HA SER A 3 6.086 -5.597 -4.037 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.894 -8.037 -5.392 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.210 -7.981 -4.236 1.00 0.00 H new ATOM 0 HG SER A 3 3.426 -7.490 -3.768 1.00 0.00 H new ATOM 44 N ILE A 4 7.441 -5.393 -6.082 1.00 0.00 N ATOM 45 CA ILE A 4 8.245 -5.163 -7.274 1.00 0.00 C ATOM 46 C ILE A 4 9.616 -5.798 -7.135 1.00 0.00 C ATOM 47 O ILE A 4 10.161 -5.895 -6.037 1.00 0.00 O ATOM 48 CB ILE A 4 8.408 -3.662 -7.570 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.608 -2.876 -6.279 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.211 -3.139 -8.341 1.00 0.00 C ATOM 51 CD1 ILE A 4 8.932 -1.418 -6.506 1.00 0.00 C ATOM 0 H ILE A 4 7.901 -5.136 -5.209 1.00 0.00 H new ATOM 0 HA ILE A 4 7.715 -5.626 -8.106 1.00 0.00 H new ATOM 0 HB ILE A 4 9.296 -3.528 -8.187 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.704 -2.949 -5.674 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.413 -3.334 -5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.344 -2.076 -8.541 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.122 -3.678 -9.284 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.306 -3.287 -7.752 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.061 -0.920 -5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.852 -1.336 -7.084 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.116 -0.945 -7.053 1.00 0.00 H new ATOM 63 N LYS A 5 10.166 -6.241 -8.248 1.00 0.00 N ATOM 64 CA LYS A 5 11.460 -6.898 -8.241 1.00 0.00 C ATOM 65 C LYS A 5 12.386 -6.253 -9.253 1.00 0.00 C ATOM 66 O LYS A 5 11.944 -5.779 -10.294 1.00 0.00 O ATOM 67 CB LYS A 5 11.312 -8.375 -8.586 1.00 0.00 C ATOM 68 CG LYS A 5 10.204 -9.069 -7.823 1.00 0.00 C ATOM 69 CD LYS A 5 9.745 -10.310 -8.554 1.00 0.00 C ATOM 70 CE LYS A 5 8.259 -10.522 -8.363 1.00 0.00 C ATOM 71 NZ LYS A 5 7.939 -11.131 -7.046 1.00 0.00 N ATOM 0 H LYS A 5 9.738 -6.158 -9.170 1.00 0.00 H new ATOM 0 HA LYS A 5 11.881 -6.797 -7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.121 -8.472 -9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.255 -8.883 -8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.555 -9.337 -6.827 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.364 -8.387 -7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.971 -10.217 -9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.292 -11.178 -8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.744 -9.566 -8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.881 -11.164 -9.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.910 -11.256 -6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.408 -12.056 -6.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.275 -10.507 -6.284 1.00 0.00 H new ATOM 85 N VAL A 6 13.665 -6.242 -8.941 1.00 0.00 N ATOM 86 CA VAL A 6 14.674 -5.757 -9.862 1.00 0.00 C ATOM 87 C VAL A 6 15.702 -6.851 -10.097 1.00 0.00 C ATOM 88 O VAL A 6 16.511 -7.160 -9.218 1.00 0.00 O ATOM 89 CB VAL A 6 15.390 -4.488 -9.344 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.337 -3.939 -10.400 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.382 -3.427 -8.922 1.00 0.00 C ATOM 0 H VAL A 6 14.034 -6.567 -8.047 1.00 0.00 H new ATOM 0 HA VAL A 6 14.169 -5.491 -10.791 1.00 0.00 H new ATOM 0 HB VAL A 6 15.975 -4.764 -8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.831 -3.046 -10.017 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.086 -4.692 -10.644 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.773 -3.684 -11.297 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.911 -2.545 -8.562 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.762 -3.154 -9.776 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.750 -3.821 -8.126 1.00 0.00 H new ATOM 101 N GLN A 7 15.640 -7.462 -11.267 1.00 0.00 N ATOM 102 CA GLN A 7 16.543 -8.542 -11.606 1.00 0.00 C ATOM 103 C GLN A 7 17.923 -7.989 -11.905 1.00 0.00 C ATOM 104 O GLN A 7 18.150 -7.390 -12.952 1.00 0.00 O ATOM 105 CB GLN A 7 16.016 -9.334 -12.803 1.00 0.00 C ATOM 106 CG GLN A 7 16.140 -10.835 -12.620 1.00 0.00 C ATOM 107 CD GLN A 7 17.575 -11.311 -12.670 1.00 0.00 C ATOM 108 OE1 GLN A 7 18.300 -11.088 -11.593 1.00 0.00 O flip ATOM 109 NE2 GLN A 7 18.047 -11.797 -13.696 1.00 0.00 N flip ATOM 0 H GLN A 7 14.970 -7.226 -11.999 1.00 0.00 H new ATOM 0 HA GLN A 7 16.610 -9.219 -10.754 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.969 -9.079 -12.968 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.562 -9.036 -13.698 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.700 -11.118 -11.664 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.566 -11.341 -13.397 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.450 -11.953 -14.508 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.036 -12.044 -13.735 1.00 0.00 H new ATOM 118 N VAL A 8 18.824 -8.173 -10.960 1.00 0.00 N ATOM 119 CA VAL A 8 20.186 -7.703 -11.091 1.00 0.00 C ATOM 120 C VAL A 8 20.957 -8.577 -12.076 1.00 0.00 C ATOM 121 O VAL A 8 20.884 -9.801 -12.002 1.00 0.00 O ATOM 122 CB VAL A 8 20.894 -7.710 -9.718 1.00 0.00 C ATOM 123 CG1 VAL A 8 22.319 -7.207 -9.834 1.00 0.00 C ATOM 124 CG2 VAL A 8 20.112 -6.879 -8.714 1.00 0.00 C ATOM 0 H VAL A 8 18.631 -8.653 -10.081 1.00 0.00 H new ATOM 0 HA VAL A 8 20.161 -6.681 -11.469 1.00 0.00 H new ATOM 0 HB VAL A 8 20.932 -8.740 -9.363 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.792 -7.223 -8.852 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.877 -7.849 -10.516 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.315 -6.187 -10.218 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.624 -6.894 -7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.039 -5.851 -9.070 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.111 -7.295 -8.599 1.00 0.00 H new ATOM 134 N PRO A 9 21.697 -7.972 -13.021 1.00 0.00 N ATOM 135 CA PRO A 9 22.495 -8.729 -13.981 1.00 0.00 C ATOM 136 C PRO A 9 23.676 -9.430 -13.309 1.00 0.00 C ATOM 137 O PRO A 9 24.179 -8.977 -12.275 1.00 0.00 O ATOM 138 CB PRO A 9 22.978 -7.668 -14.977 1.00 0.00 C ATOM 139 CG PRO A 9 22.925 -6.383 -14.231 1.00 0.00 C ATOM 140 CD PRO A 9 21.803 -6.517 -13.235 1.00 0.00 C ATOM 0 HA PRO A 9 21.922 -9.526 -14.455 1.00 0.00 H new ATOM 0 HB2 PRO A 9 23.990 -7.882 -15.321 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.340 -7.637 -15.860 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.871 -6.187 -13.726 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.746 -5.548 -14.908 1.00 0.00 H new ATOM 0 HD2 PRO A 9 22.027 -5.991 -12.307 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.873 -6.100 -13.621 1.00 0.00 H new ATOM 148 N ASN A 10 24.092 -10.549 -13.881 1.00 0.00 N ATOM 149 CA ASN A 10 25.196 -11.329 -13.329 1.00 0.00 C ATOM 150 C ASN A 10 26.536 -10.713 -13.719 1.00 0.00 C ATOM 151 O ASN A 10 27.104 -11.055 -14.755 1.00 0.00 O ATOM 152 CB ASN A 10 25.133 -12.782 -13.822 1.00 0.00 C ATOM 153 CG ASN A 10 23.956 -13.561 -13.268 1.00 0.00 C ATOM 154 OD1 ASN A 10 24.179 -14.301 -12.194 1.00 0.00 O flip ATOM 155 ND2 ASN A 10 22.858 -13.515 -13.820 1.00 0.00 N flip ATOM 0 H ASN A 10 23.683 -10.941 -14.729 1.00 0.00 H new ATOM 0 HA ASN A 10 25.104 -11.320 -12.243 1.00 0.00 H new ATOM 0 HB2 ASN A 10 25.080 -12.785 -14.911 1.00 0.00 H new ATOM 0 HB3 ASN A 10 26.057 -13.291 -13.546 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.727 -12.932 -14.646 1.00 0.00 H new ATOM 0 HD22 ASN A 10 22.079 -14.060 -13.451 1.00 0.00 H new ATOM 162 N MET A 11 27.023 -9.784 -12.906 1.00 0.00 N ATOM 163 CA MET A 11 28.334 -9.185 -13.136 1.00 0.00 C ATOM 164 C MET A 11 29.067 -9.031 -11.817 1.00 0.00 C ATOM 165 O MET A 11 29.208 -7.930 -11.290 1.00 0.00 O ATOM 166 CB MET A 11 28.205 -7.830 -13.847 1.00 0.00 C ATOM 167 CG MET A 11 28.073 -7.951 -15.362 1.00 0.00 C ATOM 168 SD MET A 11 28.357 -6.397 -16.239 1.00 0.00 S ATOM 169 CE MET A 11 26.945 -5.438 -15.712 1.00 0.00 C ATOM 0 H MET A 11 26.533 -9.429 -12.085 1.00 0.00 H new ATOM 0 HA MET A 11 28.909 -9.845 -13.786 1.00 0.00 H new ATOM 0 HB2 MET A 11 27.335 -7.304 -13.455 1.00 0.00 H new ATOM 0 HB3 MET A 11 29.078 -7.221 -13.613 1.00 0.00 H new ATOM 0 HG2 MET A 11 28.782 -8.696 -15.722 1.00 0.00 H new ATOM 0 HG3 MET A 11 27.075 -8.318 -15.603 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.539 -4.891 -16.563 1.00 0.00 H new ATOM 0 HE2 MET A 11 26.181 -6.105 -15.311 1.00 0.00 H new ATOM 0 HE3 MET A 11 27.252 -4.732 -14.940 1.00 0.00 H new ATOM 179 N GLN A 12 29.565 -10.151 -11.317 1.00 0.00 N ATOM 180 CA GLN A 12 30.089 -10.241 -9.963 1.00 0.00 C ATOM 181 C GLN A 12 31.479 -9.659 -9.885 1.00 0.00 C ATOM 182 O GLN A 12 31.809 -8.888 -8.987 1.00 0.00 O ATOM 183 CB GLN A 12 30.127 -11.700 -9.502 1.00 0.00 C ATOM 184 CG GLN A 12 28.862 -12.464 -9.841 1.00 0.00 C ATOM 185 CD GLN A 12 28.872 -13.018 -11.251 1.00 0.00 C ATOM 186 OE1 GLN A 12 29.627 -12.570 -12.116 1.00 0.00 O ATOM 187 NE2 GLN A 12 27.994 -13.941 -11.519 1.00 0.00 N ATOM 0 H GLN A 12 29.617 -11.025 -11.840 1.00 0.00 H new ATOM 0 HA GLN A 12 29.428 -9.670 -9.311 1.00 0.00 H new ATOM 0 HB2 GLN A 12 30.980 -12.198 -9.963 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.285 -11.730 -8.424 1.00 0.00 H new ATOM 0 HG2 GLN A 12 28.738 -13.284 -9.134 1.00 0.00 H new ATOM 0 HG3 GLN A 12 28.002 -11.806 -9.720 1.00 0.00 H new ATOM 0 HE21 GLN A 12 27.382 -14.292 -10.782 1.00 0.00 H new ATOM 0 HE22 GLN A 12 27.918 -14.313 -12.466 1.00 0.00 H new ATOM 196 N ASP A 13 32.287 -10.042 -10.848 1.00 0.00 N ATOM 197 CA ASP A 13 33.658 -9.584 -10.925 1.00 0.00 C ATOM 198 C ASP A 13 33.864 -8.853 -12.234 1.00 0.00 C ATOM 199 O ASP A 13 34.961 -8.397 -12.550 1.00 0.00 O ATOM 200 CB ASP A 13 34.614 -10.775 -10.838 1.00 0.00 C ATOM 201 CG ASP A 13 34.347 -11.671 -9.642 1.00 0.00 C ATOM 202 OD1 ASP A 13 34.701 -11.286 -8.507 1.00 0.00 O ATOM 203 OD2 ASP A 13 33.789 -12.775 -9.840 1.00 0.00 O ATOM 0 H ASP A 13 32.015 -10.677 -11.598 1.00 0.00 H new ATOM 0 HA ASP A 13 33.863 -8.910 -10.093 1.00 0.00 H new ATOM 0 HB2 ASP A 13 34.533 -11.365 -11.751 1.00 0.00 H new ATOM 0 HB3 ASP A 13 35.639 -10.407 -10.786 1.00 0.00 H new ATOM 208 N LYS A 14 32.778 -8.732 -12.987 1.00 0.00 N ATOM 209 CA LYS A 14 32.836 -8.198 -14.340 1.00 0.00 C ATOM 210 C LYS A 14 32.740 -6.678 -14.309 1.00 0.00 C ATOM 211 O LYS A 14 32.858 -6.014 -15.335 1.00 0.00 O ATOM 212 CB LYS A 14 31.695 -8.770 -15.199 1.00 0.00 C ATOM 213 CG LYS A 14 31.270 -10.192 -14.837 1.00 0.00 C ATOM 214 CD LYS A 14 32.430 -11.175 -14.873 1.00 0.00 C ATOM 215 CE LYS A 14 32.031 -12.504 -14.258 1.00 0.00 C ATOM 216 NZ LYS A 14 33.130 -13.503 -14.299 1.00 0.00 N ATOM 0 H LYS A 14 31.842 -8.998 -12.681 1.00 0.00 H new ATOM 0 HA LYS A 14 33.789 -8.490 -14.782 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.829 -8.114 -15.111 1.00 0.00 H new ATOM 0 HB3 LYS A 14 32.003 -8.753 -16.244 1.00 0.00 H new ATOM 0 HG2 LYS A 14 30.828 -10.193 -13.840 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.496 -10.523 -15.529 1.00 0.00 H new ATOM 0 HD2 LYS A 14 32.751 -11.328 -15.903 1.00 0.00 H new ATOM 0 HD3 LYS A 14 33.281 -10.760 -14.333 1.00 0.00 H new ATOM 0 HE2 LYS A 14 31.727 -12.345 -13.223 1.00 0.00 H new ATOM 0 HE3 LYS A 14 31.164 -12.900 -14.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 32.807 -14.392 -13.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 33.404 -13.677 -15.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 33.949 -13.140 -13.771 1.00 0.00 H new ATOM 230 N THR A 15 32.526 -6.140 -13.120 1.00 0.00 N ATOM 231 CA THR A 15 32.354 -4.707 -12.954 1.00 0.00 C ATOM 232 C THR A 15 32.579 -4.297 -11.496 1.00 0.00 C ATOM 233 O THR A 15 32.923 -5.132 -10.657 1.00 0.00 O ATOM 234 CB THR A 15 30.950 -4.266 -13.429 1.00 0.00 C ATOM 235 OG1 THR A 15 30.836 -2.835 -13.406 1.00 0.00 O ATOM 236 CG2 THR A 15 29.864 -4.888 -12.561 1.00 0.00 C ATOM 0 H THR A 15 32.467 -6.676 -12.254 1.00 0.00 H new ATOM 0 HA THR A 15 33.100 -4.204 -13.570 1.00 0.00 H new ATOM 0 HB THR A 15 30.818 -4.614 -14.454 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.891 -2.583 -13.341 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.885 -4.563 -12.914 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.929 -5.974 -12.620 1.00 0.00 H new ATOM 0 HG23 THR A 15 29.999 -4.572 -11.527 1.00 0.00 H new ATOM 244 N GLU A 16 32.377 -3.017 -11.208 1.00 0.00 N ATOM 245 CA GLU A 16 32.655 -2.456 -9.891 1.00 0.00 C ATOM 246 C GLU A 16 31.393 -2.383 -9.032 1.00 0.00 C ATOM 247 O GLU A 16 31.431 -1.945 -7.880 1.00 0.00 O ATOM 248 CB GLU A 16 33.263 -1.057 -10.046 1.00 0.00 C ATOM 249 CG GLU A 16 32.368 -0.083 -10.801 1.00 0.00 C ATOM 250 CD GLU A 16 33.016 1.268 -11.014 1.00 0.00 C ATOM 251 OE1 GLU A 16 33.153 2.029 -10.036 1.00 0.00 O ATOM 252 OE2 GLU A 16 33.381 1.581 -12.170 1.00 0.00 O ATOM 0 H GLU A 16 32.016 -2.339 -11.880 1.00 0.00 H new ATOM 0 HA GLU A 16 33.363 -3.113 -9.386 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.475 -0.651 -9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.216 -1.140 -10.568 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.108 -0.512 -11.769 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.437 0.049 -10.250 1.00 0.00 H new ATOM 259 N TRP A 17 30.277 -2.818 -9.596 1.00 0.00 N ATOM 260 CA TRP A 17 28.994 -2.750 -8.905 1.00 0.00 C ATOM 261 C TRP A 17 28.740 -4.017 -8.093 1.00 0.00 C ATOM 262 O TRP A 17 29.504 -4.978 -8.164 1.00 0.00 O ATOM 263 CB TRP A 17 27.859 -2.545 -9.907 1.00 0.00 C ATOM 264 CG TRP A 17 28.082 -1.381 -10.819 1.00 0.00 C ATOM 265 CD1 TRP A 17 28.392 -0.103 -10.459 1.00 0.00 C ATOM 266 CD2 TRP A 17 28.004 -1.390 -12.245 1.00 0.00 C ATOM 267 NE1 TRP A 17 28.528 0.679 -11.577 1.00 0.00 N ATOM 268 CE2 TRP A 17 28.294 -0.090 -12.685 1.00 0.00 C ATOM 269 CE3 TRP A 17 27.727 -2.375 -13.192 1.00 0.00 C ATOM 270 CZ2 TRP A 17 28.307 0.249 -14.033 1.00 0.00 C ATOM 271 CZ3 TRP A 17 27.741 -2.036 -14.528 1.00 0.00 C ATOM 272 CH2 TRP A 17 28.031 -0.733 -14.938 1.00 0.00 C ATOM 0 H TRP A 17 30.231 -3.223 -10.531 1.00 0.00 H new ATOM 0 HA TRP A 17 29.028 -1.901 -8.222 1.00 0.00 H new ATOM 0 HB2 TRP A 17 27.742 -3.449 -10.504 1.00 0.00 H new ATOM 0 HB3 TRP A 17 26.925 -2.399 -9.364 1.00 0.00 H new ATOM 0 HD1 TRP A 17 28.513 0.242 -9.443 1.00 0.00 H new ATOM 0 HE1 TRP A 17 28.765 1.671 -11.582 1.00 0.00 H new ATOM 0 HE3 TRP A 17 27.505 -3.386 -12.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 28.528 1.257 -14.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 27.524 -2.790 -15.270 1.00 0.00 H new ATOM 0 HH2 TRP A 17 28.037 -0.498 -15.992 1.00 0.00 H new ATOM 283 N LYS A 18 27.648 -4.011 -7.334 1.00 0.00 N ATOM 284 CA LYS A 18 27.278 -5.147 -6.493 1.00 0.00 C ATOM 285 C LYS A 18 26.381 -6.130 -7.253 1.00 0.00 C ATOM 286 O LYS A 18 25.569 -6.844 -6.660 1.00 0.00 O ATOM 287 CB LYS A 18 26.562 -4.645 -5.231 1.00 0.00 C ATOM 288 CG LYS A 18 25.189 -4.035 -5.488 1.00 0.00 C ATOM 289 CD LYS A 18 24.091 -4.895 -4.882 1.00 0.00 C ATOM 290 CE LYS A 18 22.997 -5.224 -5.888 1.00 0.00 C ATOM 291 NZ LYS A 18 22.039 -4.101 -6.053 1.00 0.00 N ATOM 0 H LYS A 18 26.999 -3.226 -7.284 1.00 0.00 H new ATOM 0 HA LYS A 18 28.188 -5.675 -6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.452 -5.477 -4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.191 -3.901 -4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.147 -3.032 -5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 18 25.027 -3.934 -6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.524 -5.821 -4.503 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.654 -4.375 -4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.449 -5.460 -6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.460 -6.114 -5.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.849 -3.952 -7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.150 -4.329 -5.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.446 -3.235 -5.646 1.00 0.00 H new ATOM 305 N LEU A 19 26.535 -6.184 -8.562 1.00 0.00 N ATOM 306 CA LEU A 19 25.683 -7.020 -9.386 1.00 0.00 C ATOM 307 C LEU A 19 26.159 -8.467 -9.315 1.00 0.00 C ATOM 308 O LEU A 19 27.302 -8.753 -9.611 1.00 0.00 O ATOM 309 CB LEU A 19 25.718 -6.541 -10.839 1.00 0.00 C ATOM 310 CG LEU A 19 25.601 -5.029 -11.035 1.00 0.00 C ATOM 311 CD1 LEU A 19 25.497 -4.694 -12.508 1.00 0.00 C ATOM 312 CD2 LEU A 19 24.409 -4.479 -10.284 1.00 0.00 C ATOM 0 H LEU A 19 27.242 -5.659 -9.078 1.00 0.00 H new ATOM 0 HA LEU A 19 24.660 -6.954 -9.015 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.650 -6.878 -11.292 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.906 -7.024 -11.383 1.00 0.00 H new ATOM 0 HG LEU A 19 26.501 -4.563 -10.634 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.414 -3.614 -12.631 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.387 -5.051 -13.026 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.614 -5.176 -12.929 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.347 -3.402 -10.439 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.498 -4.952 -10.651 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.522 -4.687 -9.220 1.00 0.00 H new ATOM 324 N ASN A 20 25.294 -9.376 -8.908 1.00 0.00 N ATOM 325 CA ASN A 20 25.693 -10.777 -8.781 1.00 0.00 C ATOM 326 C ASN A 20 24.623 -11.684 -9.344 1.00 0.00 C ATOM 327 O ASN A 20 24.568 -12.870 -9.037 1.00 0.00 O ATOM 328 CB ASN A 20 25.973 -11.135 -7.318 1.00 0.00 C ATOM 329 CG ASN A 20 27.181 -10.408 -6.759 1.00 0.00 C ATOM 330 OD1 ASN A 20 28.278 -10.960 -6.671 1.00 0.00 O ATOM 331 ND2 ASN A 20 26.987 -9.146 -6.420 1.00 0.00 N ATOM 0 H ASN A 20 24.324 -9.181 -8.661 1.00 0.00 H new ATOM 0 HA ASN A 20 26.611 -10.920 -9.351 1.00 0.00 H new ATOM 0 HB2 ASN A 20 25.098 -10.894 -6.715 1.00 0.00 H new ATOM 0 HB3 ASN A 20 26.131 -12.210 -7.235 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.764 -8.587 -6.068 1.00 0.00 H new ATOM 0 HD22 ASN A 20 26.060 -8.731 -6.510 1.00 0.00 H new ATOM 338 N GLY A 21 23.774 -11.117 -10.186 1.00 0.00 N ATOM 339 CA GLY A 21 22.718 -11.893 -10.799 1.00 0.00 C ATOM 340 C GLY A 21 21.517 -12.076 -9.894 1.00 0.00 C ATOM 341 O GLY A 21 20.486 -12.587 -10.328 1.00 0.00 O ATOM 0 H GLY A 21 23.797 -10.134 -10.456 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.401 -11.402 -11.719 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.109 -12.872 -11.078 1.00 0.00 H new ATOM 345 N GLN A 22 21.651 -11.657 -8.638 1.00 0.00 N ATOM 346 CA GLN A 22 20.578 -11.807 -7.662 1.00 0.00 C ATOM 347 C GLN A 22 19.370 -10.955 -8.037 1.00 0.00 C ATOM 348 O GLN A 22 19.398 -10.187 -8.997 1.00 0.00 O ATOM 349 CB GLN A 22 21.054 -11.436 -6.252 1.00 0.00 C ATOM 350 CG GLN A 22 21.367 -9.960 -6.073 1.00 0.00 C ATOM 351 CD GLN A 22 22.850 -9.683 -5.956 1.00 0.00 C ATOM 352 OE1 GLN A 22 23.611 -10.499 -5.447 1.00 0.00 O ATOM 353 NE2 GLN A 22 23.271 -8.527 -6.439 1.00 0.00 N ATOM 0 H GLN A 22 22.493 -11.211 -8.273 1.00 0.00 H new ATOM 0 HA GLN A 22 20.283 -12.856 -7.667 1.00 0.00 H new ATOM 0 HB2 GLN A 22 20.287 -11.724 -5.533 1.00 0.00 H new ATOM 0 HB3 GLN A 22 21.946 -12.017 -6.016 1.00 0.00 H new ATOM 0 HG2 GLN A 22 20.964 -9.403 -6.919 1.00 0.00 H new ATOM 0 HG3 GLN A 22 20.862 -9.592 -5.180 1.00 0.00 H new ATOM 0 HE21 GLN A 22 22.606 -7.875 -6.855 1.00 0.00 H new ATOM 0 HE22 GLN A 22 24.261 -8.287 -6.396 1.00 0.00 H new ATOM 362 N VAL A 23 18.316 -11.082 -7.263 1.00 0.00 N ATOM 363 CA VAL A 23 17.074 -10.386 -7.545 1.00 0.00 C ATOM 364 C VAL A 23 16.682 -9.527 -6.358 1.00 0.00 C ATOM 365 O VAL A 23 16.618 -10.012 -5.229 1.00 0.00 O ATOM 366 CB VAL A 23 15.923 -11.370 -7.859 1.00 0.00 C ATOM 367 CG1 VAL A 23 14.660 -10.617 -8.250 1.00 0.00 C ATOM 368 CG2 VAL A 23 16.324 -12.343 -8.957 1.00 0.00 C ATOM 0 H VAL A 23 18.291 -11.665 -6.426 1.00 0.00 H new ATOM 0 HA VAL A 23 17.241 -9.762 -8.423 1.00 0.00 H new ATOM 0 HB VAL A 23 15.716 -11.943 -6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.864 -11.329 -8.466 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.354 -9.969 -7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.856 -10.012 -9.135 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.497 -13.024 -9.159 1.00 0.00 H new ATOM 0 HG22 VAL A 23 16.567 -11.789 -9.863 1.00 0.00 H new ATOM 0 HG23 VAL A 23 17.195 -12.914 -8.636 1.00 0.00 H new ATOM 378 N LEU A 24 16.442 -8.253 -6.604 1.00 0.00 N ATOM 379 CA LEU A 24 15.987 -7.370 -5.549 1.00 0.00 C ATOM 380 C LEU A 24 14.477 -7.432 -5.467 1.00 0.00 C ATOM 381 O LEU A 24 13.792 -7.348 -6.481 1.00 0.00 O ATOM 382 CB LEU A 24 16.419 -5.930 -5.807 1.00 0.00 C ATOM 383 CG LEU A 24 17.914 -5.721 -6.050 1.00 0.00 C ATOM 384 CD1 LEU A 24 18.211 -4.254 -6.322 1.00 0.00 C ATOM 385 CD2 LEU A 24 18.723 -6.220 -4.859 1.00 0.00 C ATOM 0 H LEU A 24 16.553 -7.810 -7.516 1.00 0.00 H new ATOM 0 HA LEU A 24 16.433 -7.697 -4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 24 15.873 -5.556 -6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.120 -5.322 -4.954 1.00 0.00 H new ATOM 0 HG LEU A 24 18.204 -6.298 -6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.280 -4.125 -6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 24 17.661 -3.929 -7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.906 -3.656 -5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.785 -6.063 -5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.430 -5.671 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.534 -7.283 -4.710 1.00 0.00 H new ATOM 397 N VAL A 25 13.964 -7.590 -4.269 1.00 0.00 N ATOM 398 CA VAL A 25 12.531 -7.660 -4.069 1.00 0.00 C ATOM 399 C VAL A 25 12.108 -6.603 -3.068 1.00 0.00 C ATOM 400 O VAL A 25 12.385 -6.715 -1.874 1.00 0.00 O ATOM 401 CB VAL A 25 12.071 -9.049 -3.576 1.00 0.00 C ATOM 402 CG1 VAL A 25 10.557 -9.089 -3.438 1.00 0.00 C ATOM 403 CG2 VAL A 25 12.552 -10.145 -4.517 1.00 0.00 C ATOM 0 H VAL A 25 14.517 -7.673 -3.416 1.00 0.00 H new ATOM 0 HA VAL A 25 12.058 -7.483 -5.035 1.00 0.00 H new ATOM 0 HB VAL A 25 12.513 -9.227 -2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.249 -10.075 -3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.237 -8.334 -2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.098 -8.887 -4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.216 -11.114 -4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.144 -9.974 -5.513 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.641 -10.133 -4.564 1.00 0.00 H new ATOM 413 N PHE A 26 11.456 -5.570 -3.569 1.00 0.00 N ATOM 414 CA PHE A 26 11.046 -4.454 -2.742 1.00 0.00 C ATOM 415 C PHE A 26 9.550 -4.237 -2.893 1.00 0.00 C ATOM 416 O PHE A 26 8.915 -4.821 -3.769 1.00 0.00 O ATOM 417 CB PHE A 26 11.815 -3.179 -3.130 1.00 0.00 C ATOM 418 CG PHE A 26 13.307 -3.268 -2.910 1.00 0.00 C ATOM 419 CD1 PHE A 26 13.821 -3.888 -1.779 1.00 0.00 C ATOM 420 CD2 PHE A 26 14.197 -2.739 -3.838 1.00 0.00 C ATOM 421 CE1 PHE A 26 15.185 -3.978 -1.578 1.00 0.00 C ATOM 422 CE2 PHE A 26 15.564 -2.829 -3.638 1.00 0.00 C ATOM 423 CZ PHE A 26 16.056 -3.448 -2.507 1.00 0.00 C ATOM 0 H PHE A 26 11.198 -5.482 -4.552 1.00 0.00 H new ATOM 0 HA PHE A 26 11.274 -4.681 -1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.626 -2.959 -4.181 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.423 -2.341 -2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.146 -4.305 -1.047 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.818 -2.253 -4.725 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.569 -4.464 -0.693 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.245 -2.415 -4.367 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.122 -3.517 -2.349 1.00 0.00 H new ATOM 433 N THR A 27 8.978 -3.435 -2.022 1.00 0.00 N ATOM 434 CA THR A 27 7.568 -3.121 -2.109 1.00 0.00 C ATOM 435 C THR A 27 7.375 -1.610 -2.122 1.00 0.00 C ATOM 436 O THR A 27 7.779 -0.921 -1.188 1.00 0.00 O ATOM 437 CB THR A 27 6.801 -3.735 -0.925 1.00 0.00 C ATOM 438 OG1 THR A 27 7.348 -5.026 -0.615 1.00 0.00 O ATOM 439 CG2 THR A 27 5.319 -3.875 -1.239 1.00 0.00 C ATOM 0 H THR A 27 9.467 -2.989 -1.246 1.00 0.00 H new ATOM 0 HA THR A 27 7.175 -3.544 -3.033 1.00 0.00 H new ATOM 0 HB THR A 27 6.908 -3.068 -0.069 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.860 -5.415 0.140 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.805 -4.312 -0.383 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.898 -2.893 -1.452 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.191 -4.521 -2.107 1.00 0.00 H new ATOM 447 N LEU A 28 6.780 -1.101 -3.186 1.00 0.00 N ATOM 448 CA LEU A 28 6.551 0.332 -3.322 1.00 0.00 C ATOM 449 C LEU A 28 5.131 0.591 -3.800 1.00 0.00 C ATOM 450 O LEU A 28 4.539 -0.247 -4.483 1.00 0.00 O ATOM 451 CB LEU A 28 7.555 0.957 -4.298 1.00 0.00 C ATOM 452 CG LEU A 28 8.983 1.111 -3.765 1.00 0.00 C ATOM 453 CD1 LEU A 28 9.927 1.528 -4.883 1.00 0.00 C ATOM 454 CD2 LEU A 28 9.017 2.139 -2.644 1.00 0.00 C ATOM 0 H LEU A 28 6.445 -1.658 -3.972 1.00 0.00 H new ATOM 0 HA LEU A 28 6.690 0.794 -2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.586 0.347 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.187 1.940 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 28 9.311 0.148 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.937 1.633 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.921 0.770 -5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.600 2.481 -5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.037 2.240 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.672 3.101 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.366 1.814 -1.832 1.00 0.00 H new ATOM 466 N PRO A 29 4.550 1.729 -3.413 1.00 0.00 N ATOM 467 CA PRO A 29 3.223 2.121 -3.867 1.00 0.00 C ATOM 468 C PRO A 29 3.223 2.495 -5.339 1.00 0.00 C ATOM 469 O PRO A 29 4.212 3.006 -5.862 1.00 0.00 O ATOM 470 CB PRO A 29 2.882 3.336 -3.003 1.00 0.00 C ATOM 471 CG PRO A 29 4.198 3.888 -2.586 1.00 0.00 C ATOM 472 CD PRO A 29 5.137 2.720 -2.498 1.00 0.00 C ATOM 0 HA PRO A 29 2.500 1.311 -3.770 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.305 4.071 -3.564 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.281 3.051 -2.139 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.558 4.622 -3.307 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.119 4.397 -1.625 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.147 2.995 -2.801 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.203 2.335 -1.480 1.00 0.00 H new ATOM 480 N LEU A 30 2.099 2.253 -5.989 1.00 0.00 N ATOM 481 CA LEU A 30 1.947 2.515 -7.417 1.00 0.00 C ATOM 482 C LEU A 30 2.108 4.008 -7.718 1.00 0.00 C ATOM 483 O LEU A 30 2.248 4.412 -8.873 1.00 0.00 O ATOM 484 CB LEU A 30 0.570 2.023 -7.878 1.00 0.00 C ATOM 485 CG LEU A 30 0.395 1.860 -9.389 1.00 0.00 C ATOM 486 CD1 LEU A 30 1.365 0.819 -9.924 1.00 0.00 C ATOM 487 CD2 LEU A 30 -1.039 1.467 -9.718 1.00 0.00 C ATOM 0 H LEU A 30 1.264 1.870 -5.546 1.00 0.00 H new ATOM 0 HA LEU A 30 2.725 1.979 -7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.370 1.063 -7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.185 2.722 -7.517 1.00 0.00 H new ATOM 0 HG LEU A 30 0.611 2.815 -9.868 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.229 0.714 -11.000 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.388 1.134 -9.717 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.175 -0.139 -9.439 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.147 1.355 -10.797 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.279 0.523 -9.229 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.719 2.242 -9.364 1.00 0.00 H new ATOM 499 N THR A 31 2.098 4.813 -6.661 1.00 0.00 N ATOM 500 CA THR A 31 2.230 6.257 -6.773 1.00 0.00 C ATOM 501 C THR A 31 3.653 6.666 -7.136 1.00 0.00 C ATOM 502 O THR A 31 3.870 7.736 -7.707 1.00 0.00 O ATOM 503 CB THR A 31 1.835 6.943 -5.451 1.00 0.00 C ATOM 504 OG1 THR A 31 2.665 6.463 -4.381 1.00 0.00 O ATOM 505 CG2 THR A 31 0.377 6.669 -5.122 1.00 0.00 C ATOM 0 H THR A 31 1.998 4.480 -5.702 1.00 0.00 H new ATOM 0 HA THR A 31 1.559 6.577 -7.570 1.00 0.00 H new ATOM 0 HB THR A 31 1.975 8.018 -5.567 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.409 6.905 -3.545 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.117 7.162 -4.185 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.255 7.054 -5.922 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.222 5.595 -5.022 1.00 0.00 H new ATOM 513 N ASP A 32 4.623 5.821 -6.799 1.00 0.00 N ATOM 514 CA ASP A 32 6.017 6.117 -7.107 1.00 0.00 C ATOM 515 C ASP A 32 6.298 5.908 -8.591 1.00 0.00 C ATOM 516 O ASP A 32 5.387 5.651 -9.383 1.00 0.00 O ATOM 517 CB ASP A 32 6.965 5.274 -6.249 1.00 0.00 C ATOM 518 CG ASP A 32 7.141 5.845 -4.853 1.00 0.00 C ATOM 519 OD1 ASP A 32 6.199 5.757 -4.039 1.00 0.00 O ATOM 520 OD2 ASP A 32 8.228 6.383 -4.555 1.00 0.00 O ATOM 0 H ASP A 32 4.471 4.935 -6.317 1.00 0.00 H new ATOM 0 HA ASP A 32 6.197 7.165 -6.869 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.579 4.257 -6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.937 5.212 -6.739 1.00 0.00 H new ATOM 525 N GLN A 33 7.558 6.018 -8.974 1.00 0.00 N ATOM 526 CA GLN A 33 7.915 5.998 -10.382 1.00 0.00 C ATOM 527 C GLN A 33 9.256 5.318 -10.613 1.00 0.00 C ATOM 528 O GLN A 33 9.963 4.979 -9.664 1.00 0.00 O ATOM 529 CB GLN A 33 7.949 7.426 -10.940 1.00 0.00 C ATOM 530 CG GLN A 33 8.755 8.413 -10.098 1.00 0.00 C ATOM 531 CD GLN A 33 7.981 8.981 -8.913 1.00 0.00 C ATOM 532 OE1 GLN A 33 6.684 9.199 -9.083 1.00 0.00 O flip ATOM 533 NE2 GLN A 33 8.559 9.250 -7.860 1.00 0.00 N flip ATOM 0 H GLN A 33 8.346 6.121 -8.335 1.00 0.00 H new ATOM 0 HA GLN A 33 7.153 5.422 -10.907 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.367 7.400 -11.946 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.926 7.793 -11.029 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.652 7.915 -9.730 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.084 9.235 -10.733 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.558 9.068 -7.766 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.039 9.655 -7.082 1.00 0.00 H new ATOM 542 N VAL A 34 9.595 5.135 -11.889 1.00 0.00 N ATOM 543 CA VAL A 34 10.855 4.516 -12.282 1.00 0.00 C ATOM 544 C VAL A 34 12.035 5.281 -11.702 1.00 0.00 C ATOM 545 O VAL A 34 13.071 4.695 -11.400 1.00 0.00 O ATOM 546 CB VAL A 34 11.008 4.472 -13.816 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.244 3.680 -14.212 1.00 0.00 C ATOM 548 CG2 VAL A 34 9.762 3.901 -14.471 1.00 0.00 C ATOM 0 H VAL A 34 9.005 5.411 -12.674 1.00 0.00 H new ATOM 0 HA VAL A 34 10.843 3.498 -11.893 1.00 0.00 H new ATOM 0 HB VAL A 34 11.133 5.494 -14.173 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.332 3.662 -15.298 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.130 4.150 -13.784 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.158 2.660 -13.838 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.896 3.881 -15.553 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.592 2.888 -14.108 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.903 4.524 -14.223 1.00 0.00 H new ATOM 558 N SER A 35 11.858 6.592 -11.547 1.00 0.00 N ATOM 559 CA SER A 35 12.874 7.461 -10.963 1.00 0.00 C ATOM 560 C SER A 35 13.378 6.903 -9.637 1.00 0.00 C ATOM 561 O SER A 35 14.563 6.995 -9.321 1.00 0.00 O ATOM 562 CB SER A 35 12.284 8.851 -10.742 1.00 0.00 C ATOM 563 OG SER A 35 11.676 9.331 -11.926 1.00 0.00 O ATOM 0 H SER A 35 11.006 7.080 -11.823 1.00 0.00 H new ATOM 0 HA SER A 35 13.717 7.518 -11.651 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.548 8.816 -9.938 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.069 9.538 -10.426 1.00 0.00 H new ATOM 0 HG SER A 35 12.327 9.852 -12.440 1.00 0.00 H new ATOM 569 N VAL A 36 12.470 6.298 -8.889 1.00 0.00 N ATOM 570 CA VAL A 36 12.787 5.738 -7.593 1.00 0.00 C ATOM 571 C VAL A 36 13.629 4.475 -7.745 1.00 0.00 C ATOM 572 O VAL A 36 14.500 4.200 -6.930 1.00 0.00 O ATOM 573 CB VAL A 36 11.499 5.424 -6.806 1.00 0.00 C ATOM 574 CG1 VAL A 36 11.831 4.960 -5.405 1.00 0.00 C ATOM 575 CG2 VAL A 36 10.589 6.642 -6.772 1.00 0.00 C ATOM 0 H VAL A 36 11.495 6.183 -9.166 1.00 0.00 H new ATOM 0 HA VAL A 36 13.363 6.477 -7.037 1.00 0.00 H new ATOM 0 HB VAL A 36 10.971 4.616 -7.313 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.909 4.743 -4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.442 4.059 -5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.381 5.743 -4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.684 6.404 -6.213 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.107 7.470 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.323 6.926 -7.790 1.00 0.00 H new ATOM 585 N ILE A 37 13.378 3.721 -8.803 1.00 0.00 N ATOM 586 CA ILE A 37 14.124 2.496 -9.052 1.00 0.00 C ATOM 587 C ILE A 37 15.543 2.819 -9.511 1.00 0.00 C ATOM 588 O ILE A 37 16.517 2.327 -8.942 1.00 0.00 O ATOM 589 CB ILE A 37 13.458 1.618 -10.130 1.00 0.00 C ATOM 590 CG1 ILE A 37 11.943 1.509 -9.909 1.00 0.00 C ATOM 591 CG2 ILE A 37 14.103 0.242 -10.161 1.00 0.00 C ATOM 592 CD1 ILE A 37 11.540 0.965 -8.554 1.00 0.00 C ATOM 0 H ILE A 37 12.666 3.934 -9.502 1.00 0.00 H new ATOM 0 HA ILE A 37 14.141 1.947 -8.111 1.00 0.00 H new ATOM 0 HB ILE A 37 13.612 2.096 -11.097 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.499 2.496 -10.036 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.522 0.868 -10.683 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.623 -0.368 -10.927 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.164 0.343 -10.390 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.985 -0.237 -9.189 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.453 0.923 -8.487 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.950 -0.037 -8.428 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.927 1.617 -7.771 1.00 0.00 H new ATOM 604 N LYS A 38 15.642 3.656 -10.537 1.00 0.00 N ATOM 605 CA LYS A 38 16.933 4.034 -11.103 1.00 0.00 C ATOM 606 C LYS A 38 17.839 4.669 -10.054 1.00 0.00 C ATOM 607 O LYS A 38 19.019 4.338 -9.970 1.00 0.00 O ATOM 608 CB LYS A 38 16.749 5.000 -12.273 1.00 0.00 C ATOM 609 CG LYS A 38 15.705 6.065 -12.015 1.00 0.00 C ATOM 610 CD LYS A 38 15.920 7.298 -12.868 1.00 0.00 C ATOM 611 CE LYS A 38 17.113 8.100 -12.381 1.00 0.00 C ATOM 612 NZ LYS A 38 17.198 9.427 -13.052 1.00 0.00 N ATOM 0 H LYS A 38 14.840 4.088 -10.996 1.00 0.00 H new ATOM 0 HA LYS A 38 17.408 3.121 -11.462 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.702 5.482 -12.490 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.468 4.434 -13.161 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.715 5.656 -12.215 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.728 6.346 -10.962 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.076 7.003 -13.906 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.026 7.921 -12.844 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.040 8.242 -11.303 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.029 7.539 -12.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.731 10.087 -12.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.683 9.323 -13.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.239 9.798 -13.209 1.00 0.00 H new ATOM 626 N VAL A 39 17.287 5.575 -9.250 1.00 0.00 N ATOM 627 CA VAL A 39 18.074 6.246 -8.223 1.00 0.00 C ATOM 628 C VAL A 39 18.464 5.254 -7.133 1.00 0.00 C ATOM 629 O VAL A 39 19.546 5.336 -6.551 1.00 0.00 O ATOM 630 CB VAL A 39 17.315 7.448 -7.604 1.00 0.00 C ATOM 631 CG1 VAL A 39 16.148 6.998 -6.730 1.00 0.00 C ATOM 632 CG2 VAL A 39 18.264 8.323 -6.809 1.00 0.00 C ATOM 0 H VAL A 39 16.308 5.858 -9.290 1.00 0.00 H new ATOM 0 HA VAL A 39 18.973 6.636 -8.699 1.00 0.00 H new ATOM 0 HB VAL A 39 16.901 8.030 -8.428 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.645 7.872 -6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.443 6.424 -7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.521 6.376 -5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 39 17.714 9.162 -6.382 1.00 0.00 H new ATOM 0 HG22 VAL A 39 18.713 7.737 -6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 39 19.048 8.700 -7.466 1.00 0.00 H new ATOM 642 N LYS A 40 17.578 4.297 -6.902 1.00 0.00 N ATOM 643 CA LYS A 40 17.788 3.259 -5.910 1.00 0.00 C ATOM 644 C LYS A 40 18.959 2.360 -6.303 1.00 0.00 C ATOM 645 O LYS A 40 19.840 2.083 -5.492 1.00 0.00 O ATOM 646 CB LYS A 40 16.484 2.463 -5.723 1.00 0.00 C ATOM 647 CG LYS A 40 16.639 0.958 -5.703 1.00 0.00 C ATOM 648 CD LYS A 40 15.307 0.267 -5.441 1.00 0.00 C ATOM 649 CE LYS A 40 14.497 0.975 -4.359 1.00 0.00 C ATOM 650 NZ LYS A 40 15.225 1.075 -3.061 1.00 0.00 N ATOM 0 H LYS A 40 16.691 4.220 -7.400 1.00 0.00 H new ATOM 0 HA LYS A 40 18.051 3.714 -4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.018 2.776 -4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.797 2.730 -6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.045 0.620 -6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.356 0.674 -4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.728 0.235 -6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.487 -0.765 -5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.238 1.976 -4.703 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.560 0.439 -4.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.637 0.676 -2.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.118 0.545 -3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.429 2.073 -2.853 1.00 0.00 H new ATOM 664 N ILE A 41 18.984 1.938 -7.556 1.00 0.00 N ATOM 665 CA ILE A 41 20.059 1.096 -8.061 1.00 0.00 C ATOM 666 C ILE A 41 21.356 1.891 -8.147 1.00 0.00 C ATOM 667 O ILE A 41 22.435 1.384 -7.842 1.00 0.00 O ATOM 668 CB ILE A 41 19.703 0.541 -9.448 1.00 0.00 C ATOM 669 CG1 ILE A 41 18.409 -0.261 -9.364 1.00 0.00 C ATOM 670 CG2 ILE A 41 20.832 -0.316 -10.000 1.00 0.00 C ATOM 671 CD1 ILE A 41 17.815 -0.580 -10.711 1.00 0.00 C ATOM 0 H ILE A 41 18.269 2.165 -8.247 1.00 0.00 H new ATOM 0 HA ILE A 41 20.193 0.263 -7.370 1.00 0.00 H new ATOM 0 HB ILE A 41 19.559 1.377 -10.132 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.601 -1.192 -8.830 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.681 0.299 -8.777 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.553 -0.696 -10.983 1.00 0.00 H new ATOM 0 HG22 ILE A 41 21.737 0.286 -10.087 1.00 0.00 H new ATOM 0 HG23 ILE A 41 21.016 -1.153 -9.326 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.897 -1.152 -10.578 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.592 0.347 -11.239 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.526 -1.166 -11.293 1.00 0.00 H new ATOM 683 N HIS A 42 21.227 3.146 -8.541 1.00 0.00 N ATOM 684 CA HIS A 42 22.362 4.058 -8.628 1.00 0.00 C ATOM 685 C HIS A 42 23.087 4.178 -7.289 1.00 0.00 C ATOM 686 O HIS A 42 24.305 4.316 -7.249 1.00 0.00 O ATOM 687 CB HIS A 42 21.871 5.435 -9.114 1.00 0.00 C ATOM 688 CG HIS A 42 22.815 6.574 -8.841 1.00 0.00 C ATOM 689 ND1 HIS A 42 22.507 7.621 -7.995 1.00 0.00 N ATOM 690 CD2 HIS A 42 24.052 6.836 -9.320 1.00 0.00 C ATOM 691 CE1 HIS A 42 23.517 8.468 -7.964 1.00 0.00 C ATOM 692 NE2 HIS A 42 24.466 8.017 -8.760 1.00 0.00 N ATOM 0 H HIS A 42 20.336 3.564 -8.810 1.00 0.00 H new ATOM 0 HA HIS A 42 23.080 3.658 -9.344 1.00 0.00 H new ATOM 0 HB2 HIS A 42 21.689 5.382 -10.187 1.00 0.00 H new ATOM 0 HB3 HIS A 42 20.915 5.652 -8.639 1.00 0.00 H new ATOM 0 HD2 HIS A 42 24.611 6.227 -10.015 1.00 0.00 H new ATOM 0 HE1 HIS A 42 23.560 9.378 -7.384 1.00 0.00 H new ATOM 0 HE2 HIS A 42 25.362 8.472 -8.931 1.00 0.00 H new ATOM 701 N GLU A 43 22.341 4.113 -6.204 1.00 0.00 N ATOM 702 CA GLU A 43 22.928 4.236 -4.879 1.00 0.00 C ATOM 703 C GLU A 43 23.318 2.873 -4.326 1.00 0.00 C ATOM 704 O GLU A 43 24.269 2.751 -3.553 1.00 0.00 O ATOM 705 CB GLU A 43 21.959 4.934 -3.931 1.00 0.00 C ATOM 706 CG GLU A 43 21.650 6.362 -4.336 1.00 0.00 C ATOM 707 CD GLU A 43 20.720 7.057 -3.368 1.00 0.00 C ATOM 708 OE1 GLU A 43 20.830 6.819 -2.147 1.00 0.00 O ATOM 709 OE2 GLU A 43 19.882 7.865 -3.818 1.00 0.00 O ATOM 0 H GLU A 43 21.330 3.976 -6.210 1.00 0.00 H new ATOM 0 HA GLU A 43 23.832 4.839 -4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 43 21.030 4.366 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.380 4.931 -2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 43 22.581 6.925 -4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.201 6.364 -5.329 1.00 0.00 H new ATOM 716 N ALA A 44 22.583 1.852 -4.735 1.00 0.00 N ATOM 717 CA ALA A 44 22.811 0.503 -4.244 1.00 0.00 C ATOM 718 C ALA A 44 24.031 -0.129 -4.900 1.00 0.00 C ATOM 719 O ALA A 44 24.859 -0.737 -4.228 1.00 0.00 O ATOM 720 CB ALA A 44 21.581 -0.365 -4.471 1.00 0.00 C ATOM 0 H ALA A 44 21.821 1.932 -5.408 1.00 0.00 H new ATOM 0 HA ALA A 44 23.002 0.570 -3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 44 21.771 -1.371 -4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.730 0.064 -3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.359 -0.410 -5.537 1.00 0.00 H new ATOM 726 N THR A 45 24.146 0.019 -6.212 1.00 0.00 N ATOM 727 CA THR A 45 25.233 -0.608 -6.947 1.00 0.00 C ATOM 728 C THR A 45 26.312 0.412 -7.271 1.00 0.00 C ATOM 729 O THR A 45 27.506 0.119 -7.190 1.00 0.00 O ATOM 730 CB THR A 45 24.728 -1.251 -8.256 1.00 0.00 C ATOM 731 OG1 THR A 45 24.568 -0.259 -9.273 1.00 0.00 O ATOM 732 CG2 THR A 45 23.390 -1.932 -8.036 1.00 0.00 C ATOM 0 H THR A 45 23.503 0.565 -6.786 1.00 0.00 H new ATOM 0 HA THR A 45 25.649 -1.391 -6.313 1.00 0.00 H new ATOM 0 HB THR A 45 25.469 -1.987 -8.569 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.927 0.418 -8.971 1.00 0.00 H new ATOM 0 HG21 THR A 45 23.051 -2.379 -8.971 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.498 -2.710 -7.280 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.659 -1.197 -7.699 1.00 0.00 H new ATOM 740 N GLY A 46 25.877 1.606 -7.644 1.00 0.00 N ATOM 741 CA GLY A 46 26.799 2.661 -7.988 1.00 0.00 C ATOM 742 C GLY A 46 26.599 3.147 -9.407 1.00 0.00 C ATOM 743 O GLY A 46 27.178 4.154 -9.817 1.00 0.00 O ATOM 0 H GLY A 46 24.892 1.862 -7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.670 3.495 -7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.821 2.303 -7.868 1.00 0.00 H new ATOM 747 N MET A 47 25.767 2.437 -10.160 1.00 0.00 N ATOM 748 CA MET A 47 25.553 2.761 -11.566 1.00 0.00 C ATOM 749 C MET A 47 24.388 3.734 -11.754 1.00 0.00 C ATOM 750 O MET A 47 23.245 3.438 -11.408 1.00 0.00 O ATOM 751 CB MET A 47 25.317 1.483 -12.378 1.00 0.00 C ATOM 752 CG MET A 47 24.017 0.768 -12.046 1.00 0.00 C ATOM 753 SD MET A 47 24.018 -0.988 -12.480 1.00 0.00 S ATOM 754 CE MET A 47 24.026 -0.933 -14.272 1.00 0.00 C ATOM 0 H MET A 47 25.232 1.637 -9.823 1.00 0.00 H new ATOM 0 HA MET A 47 26.455 3.253 -11.931 1.00 0.00 H new ATOM 0 HB2 MET A 47 25.321 1.733 -13.439 1.00 0.00 H new ATOM 0 HB3 MET A 47 26.149 0.799 -12.209 1.00 0.00 H new ATOM 0 HG2 MET A 47 23.820 0.869 -10.979 1.00 0.00 H new ATOM 0 HG3 MET A 47 23.198 1.262 -12.569 1.00 0.00 H new ATOM 0 HE1 MET A 47 24.587 -1.783 -14.660 1.00 0.00 H new ATOM 0 HE2 MET A 47 23.002 -0.975 -14.642 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.494 -0.007 -14.606 1.00 0.00 H new ATOM 764 N PRO A 48 24.677 4.922 -12.294 1.00 0.00 N ATOM 765 CA PRO A 48 23.652 5.912 -12.619 1.00 0.00 C ATOM 766 C PRO A 48 22.743 5.439 -13.750 1.00 0.00 C ATOM 767 O PRO A 48 23.135 4.592 -14.562 1.00 0.00 O ATOM 768 CB PRO A 48 24.447 7.146 -13.051 1.00 0.00 C ATOM 769 CG PRO A 48 25.809 6.654 -13.399 1.00 0.00 C ATOM 770 CD PRO A 48 26.033 5.397 -12.606 1.00 0.00 C ATOM 0 HA PRO A 48 22.992 6.103 -11.773 1.00 0.00 H new ATOM 0 HB2 PRO A 48 23.978 7.633 -13.906 1.00 0.00 H new ATOM 0 HB3 PRO A 48 24.491 7.883 -12.249 1.00 0.00 H new ATOM 0 HG2 PRO A 48 25.887 6.456 -14.468 1.00 0.00 H new ATOM 0 HG3 PRO A 48 26.564 7.403 -13.158 1.00 0.00 H new ATOM 0 HD2 PRO A 48 26.592 4.658 -13.180 1.00 0.00 H new ATOM 0 HD3 PRO A 48 26.604 5.595 -11.699 1.00 0.00 H new ATOM 778 N ALA A 49 21.540 6.004 -13.814 1.00 0.00 N ATOM 779 CA ALA A 49 20.546 5.616 -14.815 1.00 0.00 C ATOM 780 C ALA A 49 21.032 5.903 -16.233 1.00 0.00 C ATOM 781 O ALA A 49 20.466 5.409 -17.209 1.00 0.00 O ATOM 782 CB ALA A 49 19.243 6.345 -14.557 1.00 0.00 C ATOM 0 H ALA A 49 21.227 6.738 -13.179 1.00 0.00 H new ATOM 0 HA ALA A 49 20.387 4.541 -14.729 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.507 6.051 -15.306 1.00 0.00 H new ATOM 0 HB2 ALA A 49 18.873 6.088 -13.565 1.00 0.00 H new ATOM 0 HB3 ALA A 49 19.410 7.421 -14.615 1.00 0.00 H new ATOM 788 N GLY A 50 22.094 6.699 -16.328 1.00 0.00 N ATOM 789 CA GLY A 50 22.687 7.026 -17.609 1.00 0.00 C ATOM 790 C GLY A 50 23.043 5.794 -18.412 1.00 0.00 C ATOM 791 O GLY A 50 22.929 5.788 -19.633 1.00 0.00 O ATOM 0 H GLY A 50 22.558 7.127 -15.527 1.00 0.00 H new ATOM 0 HA2 GLY A 50 21.992 7.641 -18.181 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.584 7.624 -17.449 1.00 0.00 H new ATOM 795 N LYS A 51 23.448 4.734 -17.722 1.00 0.00 N ATOM 796 CA LYS A 51 23.861 3.508 -18.395 1.00 0.00 C ATOM 797 C LYS A 51 23.095 2.318 -17.838 1.00 0.00 C ATOM 798 O LYS A 51 23.179 1.210 -18.354 1.00 0.00 O ATOM 799 CB LYS A 51 25.375 3.251 -18.265 1.00 0.00 C ATOM 800 CG LYS A 51 26.200 4.423 -17.731 1.00 0.00 C ATOM 801 CD LYS A 51 26.021 4.613 -16.229 1.00 0.00 C ATOM 802 CE LYS A 51 26.176 3.308 -15.480 1.00 0.00 C ATOM 803 NZ LYS A 51 27.513 2.698 -15.716 1.00 0.00 N ATOM 0 H LYS A 51 23.499 4.698 -16.704 1.00 0.00 H new ATOM 0 HA LYS A 51 23.634 3.634 -19.454 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.525 2.395 -17.607 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.764 2.973 -19.245 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.254 4.254 -17.952 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.908 5.337 -18.249 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.753 5.332 -15.863 1.00 0.00 H new ATOM 0 HD3 LYS A 51 25.035 5.033 -16.030 1.00 0.00 H new ATOM 0 HE2 LYS A 51 26.037 3.481 -14.413 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.397 2.613 -15.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.527 1.732 -15.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.705 2.666 -16.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.243 3.269 -15.244 1.00 0.00 H new ATOM 817 N GLN A 52 22.349 2.559 -16.782 1.00 0.00 N ATOM 818 CA GLN A 52 21.567 1.527 -16.139 1.00 0.00 C ATOM 819 C GLN A 52 20.148 1.536 -16.700 1.00 0.00 C ATOM 820 O GLN A 52 19.437 2.536 -16.625 1.00 0.00 O ATOM 821 CB GLN A 52 21.637 1.762 -14.628 1.00 0.00 C ATOM 822 CG GLN A 52 20.422 1.345 -13.820 1.00 0.00 C ATOM 823 CD GLN A 52 19.595 2.527 -13.371 1.00 0.00 C ATOM 824 OE1 GLN A 52 18.560 2.840 -13.951 1.00 0.00 O ATOM 825 NE2 GLN A 52 20.107 3.250 -12.397 1.00 0.00 N ATOM 0 H GLN A 52 22.268 3.477 -16.345 1.00 0.00 H new ATOM 0 HA GLN A 52 21.959 0.530 -16.338 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.504 1.228 -14.240 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.813 2.824 -14.456 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.802 0.678 -14.419 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.747 0.779 -12.947 1.00 0.00 H new ATOM 0 HE21 GLN A 52 20.970 2.954 -11.941 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.641 4.107 -12.098 1.00 0.00 H new ATOM 834 N LYS A 53 19.776 0.442 -17.345 1.00 0.00 N ATOM 835 CA LYS A 53 18.475 0.334 -17.980 1.00 0.00 C ATOM 836 C LYS A 53 17.569 -0.592 -17.195 1.00 0.00 C ATOM 837 O LYS A 53 18.017 -1.603 -16.654 1.00 0.00 O ATOM 838 CB LYS A 53 18.622 -0.184 -19.405 1.00 0.00 C ATOM 839 CG LYS A 53 19.599 0.602 -20.257 1.00 0.00 C ATOM 840 CD LYS A 53 18.946 1.799 -20.928 1.00 0.00 C ATOM 841 CE LYS A 53 18.989 3.057 -20.067 1.00 0.00 C ATOM 842 NZ LYS A 53 17.996 3.063 -18.957 1.00 0.00 N ATOM 0 H LYS A 53 20.361 -0.388 -17.442 1.00 0.00 H new ATOM 0 HA LYS A 53 18.028 1.328 -18.003 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.945 -1.225 -19.369 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.644 -0.170 -19.887 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.427 0.944 -19.635 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.022 -0.053 -21.019 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.447 1.996 -21.876 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.908 1.558 -21.160 1.00 0.00 H new ATOM 0 HE2 LYS A 53 19.989 3.164 -19.647 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.815 3.926 -20.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.502 3.978 -18.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.305 2.300 -19.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 18.486 2.915 -18.052 1.00 0.00 H new ATOM 856 N LEU A 54 16.298 -0.242 -17.139 1.00 0.00 N ATOM 857 CA LEU A 54 15.329 -1.028 -16.401 1.00 0.00 C ATOM 858 C LEU A 54 14.242 -1.515 -17.346 1.00 0.00 C ATOM 859 O LEU A 54 13.612 -0.724 -18.042 1.00 0.00 O ATOM 860 CB LEU A 54 14.710 -0.197 -15.279 1.00 0.00 C ATOM 861 CG LEU A 54 15.700 0.650 -14.475 1.00 0.00 C ATOM 862 CD1 LEU A 54 14.985 1.431 -13.391 1.00 0.00 C ATOM 863 CD2 LEU A 54 16.791 -0.219 -13.876 1.00 0.00 C ATOM 0 H LEU A 54 15.912 0.584 -17.597 1.00 0.00 H new ATOM 0 HA LEU A 54 15.835 -1.886 -15.958 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.957 0.463 -15.710 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.191 -0.868 -14.595 1.00 0.00 H new ATOM 0 HG LEU A 54 16.166 1.361 -15.157 1.00 0.00 H new ATOM 0 HD11 LEU A 54 15.709 2.025 -12.833 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.246 2.091 -13.845 1.00 0.00 H new ATOM 0 HD13 LEU A 54 14.485 0.739 -12.714 1.00 0.00 H new ATOM 0 HD21 LEU A 54 17.483 0.404 -13.309 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.343 -0.960 -13.213 1.00 0.00 H new ATOM 0 HD23 LEU A 54 17.331 -0.727 -14.675 1.00 0.00 H new ATOM 875 N GLN A 55 14.036 -2.815 -17.378 1.00 0.00 N ATOM 876 CA GLN A 55 13.070 -3.410 -18.284 1.00 0.00 C ATOM 877 C GLN A 55 11.937 -4.089 -17.523 1.00 0.00 C ATOM 878 O GLN A 55 12.156 -5.031 -16.774 1.00 0.00 O ATOM 879 CB GLN A 55 13.771 -4.419 -19.184 1.00 0.00 C ATOM 880 CG GLN A 55 12.822 -5.346 -19.915 1.00 0.00 C ATOM 881 CD GLN A 55 13.537 -6.483 -20.606 1.00 0.00 C ATOM 882 OE1 GLN A 55 13.755 -7.542 -20.019 1.00 0.00 O ATOM 883 NE2 GLN A 55 13.891 -6.278 -21.859 1.00 0.00 N ATOM 0 H GLN A 55 14.526 -3.485 -16.785 1.00 0.00 H new ATOM 0 HA GLN A 55 12.635 -2.615 -18.890 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.375 -3.882 -19.915 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.456 -5.016 -18.581 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.100 -5.753 -19.207 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.258 -4.775 -20.652 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.690 -5.383 -22.306 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.366 -7.014 -22.382 1.00 0.00 H new ATOM 892 N TYR A 56 10.727 -3.625 -17.745 1.00 0.00 N ATOM 893 CA TYR A 56 9.559 -4.192 -17.094 1.00 0.00 C ATOM 894 C TYR A 56 8.799 -5.061 -18.061 1.00 0.00 C ATOM 895 O TYR A 56 8.140 -4.568 -18.967 1.00 0.00 O ATOM 896 CB TYR A 56 8.672 -3.082 -16.529 1.00 0.00 C ATOM 897 CG TYR A 56 7.286 -3.519 -16.078 1.00 0.00 C ATOM 898 CD1 TYR A 56 7.096 -4.657 -15.298 1.00 0.00 C ATOM 899 CD2 TYR A 56 6.161 -2.780 -16.434 1.00 0.00 C ATOM 900 CE1 TYR A 56 5.830 -5.044 -14.895 1.00 0.00 C ATOM 901 CE2 TYR A 56 4.895 -3.163 -16.033 1.00 0.00 C ATOM 902 CZ TYR A 56 4.734 -4.292 -15.268 1.00 0.00 C ATOM 903 OH TYR A 56 3.471 -4.670 -14.869 1.00 0.00 O ATOM 0 H TYR A 56 10.522 -2.850 -18.376 1.00 0.00 H new ATOM 0 HA TYR A 56 9.883 -4.815 -16.261 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.184 -2.627 -15.681 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.561 -2.307 -17.288 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.951 -5.247 -15.003 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.280 -1.891 -17.035 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.700 -5.930 -14.292 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.035 -2.576 -16.320 1.00 0.00 H new ATOM 0 HH TYR A 56 2.814 -4.032 -15.216 1.00 0.00 H new ATOM 913 N GLU A 57 8.942 -6.363 -17.870 1.00 0.00 N ATOM 914 CA GLU A 57 8.269 -7.356 -18.695 1.00 0.00 C ATOM 915 C GLU A 57 8.608 -7.191 -20.170 1.00 0.00 C ATOM 916 O GLU A 57 7.820 -7.550 -21.045 1.00 0.00 O ATOM 917 CB GLU A 57 6.765 -7.259 -18.475 1.00 0.00 C ATOM 918 CG GLU A 57 6.349 -7.710 -17.089 1.00 0.00 C ATOM 919 CD GLU A 57 6.610 -9.187 -16.855 1.00 0.00 C ATOM 920 OE1 GLU A 57 7.792 -9.588 -16.796 1.00 0.00 O ATOM 921 OE2 GLU A 57 5.637 -9.958 -16.730 1.00 0.00 O ATOM 0 H GLU A 57 9.529 -6.762 -17.138 1.00 0.00 H new ATOM 0 HA GLU A 57 8.619 -8.344 -18.397 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.445 -6.229 -18.629 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.252 -7.867 -19.220 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.889 -7.126 -16.343 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.288 -7.505 -16.947 1.00 0.00 H new ATOM 928 N GLY A 58 9.803 -6.688 -20.439 1.00 0.00 N ATOM 929 CA GLY A 58 10.249 -6.540 -21.812 1.00 0.00 C ATOM 930 C GLY A 58 10.055 -5.127 -22.320 1.00 0.00 C ATOM 931 O GLY A 58 10.129 -4.869 -23.519 1.00 0.00 O ATOM 0 H GLY A 58 10.472 -6.380 -19.734 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.303 -6.809 -21.882 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.700 -7.233 -22.449 1.00 0.00 H new ATOM 935 N ILE A 59 9.813 -4.211 -21.398 1.00 0.00 N ATOM 936 CA ILE A 59 9.594 -2.817 -21.729 1.00 0.00 C ATOM 937 C ILE A 59 10.641 -1.976 -21.027 1.00 0.00 C ATOM 938 O ILE A 59 10.670 -1.930 -19.801 1.00 0.00 O ATOM 939 CB ILE A 59 8.197 -2.348 -21.270 1.00 0.00 C ATOM 940 CG1 ILE A 59 7.143 -3.409 -21.607 1.00 0.00 C ATOM 941 CG2 ILE A 59 7.849 -1.016 -21.922 1.00 0.00 C ATOM 942 CD1 ILE A 59 5.805 -3.194 -20.927 1.00 0.00 C ATOM 0 H ILE A 59 9.763 -4.415 -20.400 1.00 0.00 H new ATOM 0 HA ILE A 59 9.663 -2.704 -22.811 1.00 0.00 H new ATOM 0 HB ILE A 59 8.209 -2.209 -20.189 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.991 -3.424 -22.686 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.528 -4.389 -21.326 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.861 -0.696 -21.590 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.588 -0.267 -21.637 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.848 -1.131 -23.006 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.117 -3.988 -21.219 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.940 -3.210 -19.845 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.395 -2.230 -21.227 1.00 0.00 H new ATOM 954 N PHE A 60 11.517 -1.337 -21.782 1.00 0.00 N ATOM 955 CA PHE A 60 12.569 -0.535 -21.176 1.00 0.00 C ATOM 956 C PHE A 60 12.020 0.790 -20.679 1.00 0.00 C ATOM 957 O PHE A 60 11.932 1.772 -21.418 1.00 0.00 O ATOM 958 CB PHE A 60 13.729 -0.320 -22.140 1.00 0.00 C ATOM 959 CG PHE A 60 14.631 -1.513 -22.239 1.00 0.00 C ATOM 960 CD1 PHE A 60 14.341 -2.551 -23.108 1.00 0.00 C ATOM 961 CD2 PHE A 60 15.776 -1.591 -21.463 1.00 0.00 C ATOM 962 CE1 PHE A 60 15.179 -3.643 -23.207 1.00 0.00 C ATOM 963 CE2 PHE A 60 16.618 -2.683 -21.554 1.00 0.00 C ATOM 964 CZ PHE A 60 16.319 -3.710 -22.428 1.00 0.00 C ATOM 0 H PHE A 60 11.524 -1.355 -22.802 1.00 0.00 H new ATOM 0 HA PHE A 60 12.954 -1.086 -20.317 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.335 -0.085 -23.129 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.310 0.543 -21.815 1.00 0.00 H new ATOM 0 HD1 PHE A 60 13.449 -2.506 -23.715 1.00 0.00 H new ATOM 0 HD2 PHE A 60 16.013 -0.789 -20.779 1.00 0.00 H new ATOM 0 HE1 PHE A 60 14.944 -4.444 -23.892 1.00 0.00 H new ATOM 0 HE2 PHE A 60 17.507 -2.733 -20.943 1.00 0.00 H new ATOM 0 HZ PHE A 60 16.975 -4.565 -22.503 1.00 0.00 H new ATOM 974 N ILE A 61 11.640 0.785 -19.417 1.00 0.00 N ATOM 975 CA ILE A 61 11.034 1.943 -18.784 1.00 0.00 C ATOM 976 C ILE A 61 12.088 3.002 -18.494 1.00 0.00 C ATOM 977 O ILE A 61 13.262 2.687 -18.295 1.00 0.00 O ATOM 978 CB ILE A 61 10.312 1.544 -17.474 1.00 0.00 C ATOM 979 CG1 ILE A 61 11.328 1.281 -16.349 1.00 0.00 C ATOM 980 CG2 ILE A 61 9.431 0.322 -17.715 1.00 0.00 C ATOM 981 CD1 ILE A 61 11.167 -0.045 -15.636 1.00 0.00 C ATOM 0 H ILE A 61 11.742 -0.021 -18.800 1.00 0.00 H new ATOM 0 HA ILE A 61 10.296 2.355 -19.473 1.00 0.00 H new ATOM 0 HB ILE A 61 9.676 2.371 -17.158 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.333 1.331 -16.769 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.249 2.083 -15.615 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.927 0.048 -16.788 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.688 0.554 -18.478 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.048 -0.511 -18.052 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.929 -0.137 -14.862 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.178 -0.095 -15.180 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.278 -0.859 -16.352 1.00 0.00 H new ATOM 993 N LYS A 62 11.671 4.254 -18.496 1.00 0.00 N ATOM 994 CA LYS A 62 12.583 5.349 -18.218 1.00 0.00 C ATOM 995 C LYS A 62 12.078 6.234 -17.090 1.00 0.00 C ATOM 996 O LYS A 62 10.941 6.100 -16.636 1.00 0.00 O ATOM 997 CB LYS A 62 12.868 6.171 -19.482 1.00 0.00 C ATOM 998 CG LYS A 62 11.681 6.385 -20.406 1.00 0.00 C ATOM 999 CD LYS A 62 10.672 7.368 -19.857 1.00 0.00 C ATOM 1000 CE LYS A 62 9.630 7.743 -20.910 1.00 0.00 C ATOM 1001 NZ LYS A 62 10.199 8.561 -22.014 1.00 0.00 N ATOM 0 H LYS A 62 10.710 4.538 -18.686 1.00 0.00 H new ATOM 0 HA LYS A 62 13.523 4.908 -17.887 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.252 7.146 -19.181 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.660 5.676 -20.045 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.039 6.742 -21.371 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.189 5.429 -20.583 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.175 6.935 -18.989 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.186 8.266 -19.515 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.194 6.834 -21.324 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.820 8.296 -20.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.426 8.984 -22.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.794 9.316 -21.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.776 7.956 -22.633 1.00 0.00 H new ATOM 1015 N ASP A 63 12.942 7.142 -16.663 1.00 0.00 N ATOM 1016 CA ASP A 63 12.684 8.040 -15.538 1.00 0.00 C ATOM 1017 C ASP A 63 11.455 8.917 -15.770 1.00 0.00 C ATOM 1018 O ASP A 63 10.867 9.434 -14.821 1.00 0.00 O ATOM 1019 CB ASP A 63 13.927 8.917 -15.328 1.00 0.00 C ATOM 1020 CG ASP A 63 13.729 10.047 -14.334 1.00 0.00 C ATOM 1021 OD1 ASP A 63 13.969 9.831 -13.131 1.00 0.00 O ATOM 1022 OD2 ASP A 63 13.375 11.168 -14.758 1.00 0.00 O ATOM 0 H ASP A 63 13.857 7.281 -17.092 1.00 0.00 H new ATOM 0 HA ASP A 63 12.479 7.440 -14.652 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.749 8.288 -14.987 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.226 9.340 -16.287 1.00 0.00 H new ATOM 1027 N SER A 64 11.037 9.050 -17.022 1.00 0.00 N ATOM 1028 CA SER A 64 9.938 9.949 -17.344 1.00 0.00 C ATOM 1029 C SER A 64 8.595 9.238 -17.194 1.00 0.00 C ATOM 1030 O SER A 64 7.550 9.761 -17.590 1.00 0.00 O ATOM 1031 CB SER A 64 10.102 10.483 -18.764 1.00 0.00 C ATOM 1032 OG SER A 64 11.451 10.856 -19.010 1.00 0.00 O ATOM 0 H SER A 64 11.435 8.555 -17.820 1.00 0.00 H new ATOM 0 HA SER A 64 9.958 10.786 -16.646 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.794 9.722 -19.481 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.449 11.343 -18.911 1.00 0.00 H new ATOM 0 HG SER A 64 11.535 11.194 -19.926 1.00 0.00 H new ATOM 1038 N ASN A 65 8.631 8.045 -16.615 1.00 0.00 N ATOM 1039 CA ASN A 65 7.434 7.246 -16.416 1.00 0.00 C ATOM 1040 C ASN A 65 7.259 6.929 -14.943 1.00 0.00 C ATOM 1041 O ASN A 65 8.157 7.163 -14.135 1.00 0.00 O ATOM 1042 CB ASN A 65 7.519 5.940 -17.201 1.00 0.00 C ATOM 1043 CG ASN A 65 7.600 6.151 -18.695 1.00 0.00 C ATOM 1044 OD1 ASN A 65 8.327 5.274 -19.365 1.00 0.00 O flip ATOM 1045 ND2 ASN A 65 7.029 7.093 -19.241 1.00 0.00 N flip ATOM 0 H ASN A 65 9.487 7.608 -16.273 1.00 0.00 H new ATOM 0 HA ASN A 65 6.580 7.821 -16.773 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.395 5.381 -16.871 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.646 5.329 -16.973 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.478 7.747 -18.685 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.107 7.221 -20.250 1.00 0.00 H new ATOM 1052 N SER A 66 6.118 6.364 -14.605 1.00 0.00 N ATOM 1053 CA SER A 66 5.823 6.017 -13.234 1.00 0.00 C ATOM 1054 C SER A 66 5.355 4.575 -13.167 1.00 0.00 C ATOM 1055 O SER A 66 5.099 3.954 -14.201 1.00 0.00 O ATOM 1056 CB SER A 66 4.757 6.959 -12.671 1.00 0.00 C ATOM 1057 OG SER A 66 3.557 6.883 -13.423 1.00 0.00 O ATOM 0 H SER A 66 5.377 6.135 -15.267 1.00 0.00 H new ATOM 0 HA SER A 66 6.724 6.123 -12.630 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.554 6.703 -11.631 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.131 7.983 -12.680 1.00 0.00 H new ATOM 0 HG SER A 66 2.892 7.493 -13.041 1.00 0.00 H new ATOM 1063 N LEU A 67 5.243 4.046 -11.963 1.00 0.00 N ATOM 1064 CA LEU A 67 4.773 2.686 -11.784 1.00 0.00 C ATOM 1065 C LEU A 67 3.317 2.591 -12.225 1.00 0.00 C ATOM 1066 O LEU A 67 2.922 1.655 -12.924 1.00 0.00 O ATOM 1067 CB LEU A 67 4.913 2.275 -10.322 1.00 0.00 C ATOM 1068 CG LEU A 67 6.249 2.651 -9.673 1.00 0.00 C ATOM 1069 CD1 LEU A 67 6.214 2.382 -8.183 1.00 0.00 C ATOM 1070 CD2 LEU A 67 7.398 1.898 -10.317 1.00 0.00 C ATOM 0 H LEU A 67 5.470 4.536 -11.098 1.00 0.00 H new ATOM 0 HA LEU A 67 5.374 2.010 -12.392 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.106 2.735 -9.751 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.781 1.196 -10.249 1.00 0.00 H new ATOM 0 HG LEU A 67 6.409 3.718 -9.831 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.172 2.656 -7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.421 2.973 -7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.024 1.323 -8.009 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.334 2.184 -9.838 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.242 0.826 -10.199 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.444 2.143 -11.378 1.00 0.00 H new ATOM 1082 N ALA A 68 2.528 3.583 -11.814 1.00 0.00 N ATOM 1083 CA ALA A 68 1.126 3.683 -12.209 1.00 0.00 C ATOM 1084 C ALA A 68 0.976 3.764 -13.721 1.00 0.00 C ATOM 1085 O ALA A 68 0.050 3.190 -14.287 1.00 0.00 O ATOM 1086 CB ALA A 68 0.474 4.892 -11.553 1.00 0.00 C ATOM 0 H ALA A 68 2.842 4.336 -11.201 1.00 0.00 H new ATOM 0 HA ALA A 68 0.622 2.778 -11.869 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.571 4.952 -11.858 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.531 4.792 -10.469 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.995 5.798 -11.862 1.00 0.00 H new ATOM 1092 N TYR A 69 1.902 4.462 -14.374 1.00 0.00 N ATOM 1093 CA TYR A 69 1.857 4.632 -15.823 1.00 0.00 C ATOM 1094 C TYR A 69 1.896 3.283 -16.537 1.00 0.00 C ATOM 1095 O TYR A 69 1.193 3.074 -17.523 1.00 0.00 O ATOM 1096 CB TYR A 69 3.018 5.515 -16.298 1.00 0.00 C ATOM 1097 CG TYR A 69 3.211 5.520 -17.800 1.00 0.00 C ATOM 1098 CD1 TYR A 69 2.366 6.243 -18.633 1.00 0.00 C ATOM 1099 CD2 TYR A 69 4.232 4.784 -18.383 1.00 0.00 C ATOM 1100 CE1 TYR A 69 2.543 6.234 -20.005 1.00 0.00 C ATOM 1101 CE2 TYR A 69 4.413 4.770 -19.750 1.00 0.00 C ATOM 1102 CZ TYR A 69 3.567 5.493 -20.557 1.00 0.00 C ATOM 1103 OH TYR A 69 3.743 5.468 -21.919 1.00 0.00 O ATOM 0 H TYR A 69 2.693 4.919 -13.921 1.00 0.00 H new ATOM 0 HA TYR A 69 0.916 5.123 -16.072 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.846 6.537 -15.960 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.938 5.174 -15.824 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.560 6.820 -18.204 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.898 4.211 -17.754 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.882 6.805 -20.641 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.216 4.193 -20.185 1.00 0.00 H new ATOM 0 HH TYR A 69 4.510 4.899 -22.139 1.00 0.00 H new ATOM 1113 N TYR A 70 2.711 2.369 -16.030 1.00 0.00 N ATOM 1114 CA TYR A 70 2.820 1.040 -16.623 1.00 0.00 C ATOM 1115 C TYR A 70 1.841 0.072 -15.988 1.00 0.00 C ATOM 1116 O TYR A 70 1.761 -1.088 -16.394 1.00 0.00 O ATOM 1117 CB TYR A 70 4.239 0.497 -16.480 1.00 0.00 C ATOM 1118 CG TYR A 70 5.212 1.079 -17.472 1.00 0.00 C ATOM 1119 CD1 TYR A 70 5.280 0.584 -18.767 1.00 0.00 C ATOM 1120 CD2 TYR A 70 6.060 2.116 -17.118 1.00 0.00 C ATOM 1121 CE1 TYR A 70 6.169 1.107 -19.682 1.00 0.00 C ATOM 1122 CE2 TYR A 70 6.952 2.643 -18.026 1.00 0.00 C ATOM 1123 CZ TYR A 70 7.002 2.138 -19.307 1.00 0.00 C ATOM 1124 OH TYR A 70 7.901 2.654 -20.209 1.00 0.00 O ATOM 0 H TYR A 70 3.304 2.520 -15.214 1.00 0.00 H new ATOM 0 HA TYR A 70 2.579 1.136 -17.682 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.597 0.701 -15.471 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.218 -0.586 -16.598 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.626 -0.223 -19.062 1.00 0.00 H new ATOM 0 HD2 TYR A 70 6.021 2.517 -16.116 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.212 0.711 -20.686 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.610 3.449 -17.735 1.00 0.00 H new ATOM 0 HH TYR A 70 8.101 3.584 -19.975 1.00 0.00 H new ATOM 1134 N ASN A 71 1.101 0.558 -14.994 1.00 0.00 N ATOM 1135 CA ASN A 71 0.200 -0.284 -14.212 1.00 0.00 C ATOM 1136 C ASN A 71 0.970 -1.437 -13.590 1.00 0.00 C ATOM 1137 O ASN A 71 0.545 -2.589 -13.675 1.00 0.00 O ATOM 1138 CB ASN A 71 -0.955 -0.837 -15.063 1.00 0.00 C ATOM 1139 CG ASN A 71 -2.076 0.162 -15.313 1.00 0.00 C ATOM 1140 OD1 ASN A 71 -1.744 1.437 -15.429 1.00 0.00 O flip ATOM 1141 ND2 ASN A 71 -3.242 -0.219 -15.408 1.00 0.00 N flip ATOM 0 H ASN A 71 1.109 1.538 -14.710 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.229 0.340 -13.429 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.558 -1.170 -16.022 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.369 -1.715 -14.568 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.464 -1.210 -15.313 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.987 0.456 -15.581 1.00 0.00 H new ATOM 1148 N MET A 72 2.121 -1.126 -12.992 1.00 0.00 N ATOM 1149 CA MET A 72 2.911 -2.130 -12.291 1.00 0.00 C ATOM 1150 C MET A 72 2.129 -2.712 -11.123 1.00 0.00 C ATOM 1151 O MET A 72 2.189 -2.211 -10.002 1.00 0.00 O ATOM 1152 CB MET A 72 4.234 -1.546 -11.791 1.00 0.00 C ATOM 1153 CG MET A 72 5.212 -1.203 -12.900 1.00 0.00 C ATOM 1154 SD MET A 72 6.830 -0.733 -12.263 1.00 0.00 S ATOM 1155 CE MET A 72 7.764 -0.571 -13.779 1.00 0.00 C ATOM 0 H MET A 72 2.523 -0.189 -12.981 1.00 0.00 H new ATOM 0 HA MET A 72 3.133 -2.927 -13.001 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.027 -0.646 -11.211 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.703 -2.260 -11.114 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.320 -2.061 -13.564 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.808 -0.386 -13.498 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.700 -0.051 -13.576 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.979 -1.561 -14.182 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.183 -0.002 -14.505 1.00 0.00 H new ATOM 1165 N ALA A 73 1.362 -3.747 -11.412 1.00 0.00 N ATOM 1166 CA ALA A 73 0.567 -4.424 -10.408 1.00 0.00 C ATOM 1167 C ALA A 73 1.454 -5.246 -9.483 1.00 0.00 C ATOM 1168 O ALA A 73 2.675 -5.284 -9.648 1.00 0.00 O ATOM 1169 CB ALA A 73 -0.473 -5.303 -11.082 1.00 0.00 C ATOM 0 H ALA A 73 1.274 -4.141 -12.349 1.00 0.00 H new ATOM 0 HA ALA A 73 0.055 -3.677 -9.801 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.068 -5.810 -10.323 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.124 -4.686 -11.702 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.026 -6.044 -11.706 1.00 0.00 H new ATOM 1175 N ASN A 74 0.838 -5.906 -8.515 1.00 0.00 N ATOM 1176 CA ASN A 74 1.578 -6.709 -7.555 1.00 0.00 C ATOM 1177 C ASN A 74 2.329 -7.830 -8.268 1.00 0.00 C ATOM 1178 O ASN A 74 1.719 -8.714 -8.873 1.00 0.00 O ATOM 1179 CB ASN A 74 0.632 -7.300 -6.508 1.00 0.00 C ATOM 1180 CG ASN A 74 1.380 -7.922 -5.343 1.00 0.00 C ATOM 1181 OD1 ASN A 74 1.550 -7.160 -4.274 1.00 0.00 O flip ATOM 1182 ND2 ASN A 74 1.787 -9.080 -5.396 1.00 0.00 N flip ATOM 0 H ASN A 74 -0.172 -5.901 -8.373 1.00 0.00 H new ATOM 0 HA ASN A 74 2.299 -6.064 -7.052 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.030 -6.518 -6.136 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.001 -8.055 -6.977 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.636 -9.635 -6.238 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.275 -9.486 -4.598 1.00 0.00 H new ATOM 1189 N GLY A 75 3.650 -7.780 -8.203 1.00 0.00 N ATOM 1190 CA GLY A 75 4.459 -8.782 -8.861 1.00 0.00 C ATOM 1191 C GLY A 75 5.105 -8.254 -10.125 1.00 0.00 C ATOM 1192 O GLY A 75 5.293 -8.996 -11.089 1.00 0.00 O ATOM 0 H GLY A 75 4.177 -7.062 -7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.233 -9.129 -8.177 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.839 -9.645 -9.105 1.00 0.00 H new ATOM 1196 N ALA A 76 5.457 -6.973 -10.126 1.00 0.00 N ATOM 1197 CA ALA A 76 6.107 -6.376 -11.280 1.00 0.00 C ATOM 1198 C ALA A 76 7.584 -6.741 -11.293 1.00 0.00 C ATOM 1199 O ALA A 76 8.344 -6.359 -10.397 1.00 0.00 O ATOM 1200 CB ALA A 76 5.917 -4.869 -11.277 1.00 0.00 C ATOM 0 H ALA A 76 5.303 -6.335 -9.345 1.00 0.00 H new ATOM 0 HA ALA A 76 5.648 -6.769 -12.187 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.410 -4.438 -12.148 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.853 -4.636 -11.311 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.352 -4.449 -10.370 1.00 0.00 H new ATOM 1206 N VAL A 77 7.982 -7.501 -12.302 1.00 0.00 N ATOM 1207 CA VAL A 77 9.353 -7.974 -12.403 1.00 0.00 C ATOM 1208 C VAL A 77 10.158 -7.108 -13.363 1.00 0.00 C ATOM 1209 O VAL A 77 9.983 -7.181 -14.583 1.00 0.00 O ATOM 1210 CB VAL A 77 9.417 -9.442 -12.881 1.00 0.00 C ATOM 1211 CG1 VAL A 77 10.846 -9.966 -12.827 1.00 0.00 C ATOM 1212 CG2 VAL A 77 8.491 -10.321 -12.054 1.00 0.00 C ATOM 0 H VAL A 77 7.374 -7.803 -13.063 1.00 0.00 H new ATOM 0 HA VAL A 77 9.782 -7.910 -11.403 1.00 0.00 H new ATOM 0 HB VAL A 77 9.081 -9.475 -13.917 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.867 -11.001 -13.168 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.481 -9.359 -13.472 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.214 -9.914 -11.802 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.553 -11.350 -12.409 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.790 -10.280 -11.007 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.466 -9.964 -12.153 1.00 0.00 H new ATOM 1222 N ILE A 78 11.030 -6.281 -12.814 1.00 0.00 N ATOM 1223 CA ILE A 78 11.899 -5.453 -13.631 1.00 0.00 C ATOM 1224 C ILE A 78 13.232 -6.156 -13.828 1.00 0.00 C ATOM 1225 O ILE A 78 13.669 -6.929 -12.983 1.00 0.00 O ATOM 1226 CB ILE A 78 12.152 -4.056 -13.009 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.870 -3.492 -12.383 1.00 0.00 C ATOM 1228 CG2 ILE A 78 12.689 -3.091 -14.054 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.656 -3.587 -13.271 1.00 0.00 C ATOM 0 H ILE A 78 11.155 -6.165 -11.808 1.00 0.00 H new ATOM 0 HA ILE A 78 11.394 -5.303 -14.585 1.00 0.00 H new ATOM 0 HB ILE A 78 12.898 -4.173 -12.223 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.669 -4.024 -11.453 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.035 -2.446 -12.123 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.859 -2.117 -13.596 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.628 -3.473 -14.454 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.965 -2.990 -14.862 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.793 -3.167 -12.754 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.834 -3.031 -14.191 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.462 -4.632 -13.511 1.00 0.00 H new ATOM 1241 N HIS A 79 13.847 -5.910 -14.962 1.00 0.00 N ATOM 1242 CA HIS A 79 15.125 -6.509 -15.299 1.00 0.00 C ATOM 1243 C HIS A 79 16.153 -5.408 -15.428 1.00 0.00 C ATOM 1244 O HIS A 79 15.998 -4.507 -16.253 1.00 0.00 O ATOM 1245 CB HIS A 79 15.042 -7.275 -16.630 1.00 0.00 C ATOM 1246 CG HIS A 79 14.010 -8.363 -16.674 1.00 0.00 C ATOM 1247 ND1 HIS A 79 14.255 -9.613 -17.201 1.00 0.00 N ATOM 1248 CD2 HIS A 79 12.713 -8.372 -16.285 1.00 0.00 C ATOM 1249 CE1 HIS A 79 13.156 -10.344 -17.131 1.00 0.00 C ATOM 1250 NE2 HIS A 79 12.206 -9.613 -16.577 1.00 0.00 N ATOM 0 H HIS A 79 13.477 -5.288 -15.681 1.00 0.00 H new ATOM 0 HA HIS A 79 15.403 -7.212 -14.514 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.832 -6.563 -17.428 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.018 -7.712 -16.841 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.176 -7.553 -15.829 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.053 -11.365 -17.469 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.251 -9.921 -16.396 1.00 0.00 H new ATOM 1259 N LEU A 80 17.179 -5.460 -14.606 1.00 0.00 N ATOM 1260 CA LEU A 80 18.237 -4.475 -14.679 1.00 0.00 C ATOM 1261 C LEU A 80 19.263 -4.908 -15.718 1.00 0.00 C ATOM 1262 O LEU A 80 19.682 -6.066 -15.742 1.00 0.00 O ATOM 1263 CB LEU A 80 18.919 -4.279 -13.324 1.00 0.00 C ATOM 1264 CG LEU A 80 20.161 -3.384 -13.358 1.00 0.00 C ATOM 1265 CD1 LEU A 80 19.813 -2.000 -13.868 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.798 -3.286 -11.987 1.00 0.00 C ATOM 0 H LEU A 80 17.303 -6.169 -13.883 1.00 0.00 H new ATOM 0 HA LEU A 80 17.794 -3.522 -14.968 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.198 -3.851 -12.628 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.202 -5.255 -12.930 1.00 0.00 H new ATOM 0 HG LEU A 80 20.878 -3.839 -14.041 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.710 -1.382 -13.884 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.407 -2.075 -14.877 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.071 -1.546 -13.211 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.678 -2.645 -12.040 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.082 -2.863 -11.283 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.093 -4.280 -11.651 1.00 0.00 H new ATOM 1278 N ALA A 81 19.655 -3.983 -16.572 1.00 0.00 N ATOM 1279 CA ALA A 81 20.602 -4.282 -17.629 1.00 0.00 C ATOM 1280 C ALA A 81 21.489 -3.081 -17.911 1.00 0.00 C ATOM 1281 O ALA A 81 21.074 -1.934 -17.729 1.00 0.00 O ATOM 1282 CB ALA A 81 19.857 -4.702 -18.879 1.00 0.00 C ATOM 0 H ALA A 81 19.332 -3.016 -16.555 1.00 0.00 H new ATOM 0 HA ALA A 81 21.242 -5.103 -17.307 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.572 -4.926 -19.671 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.261 -5.590 -18.667 1.00 0.00 H new ATOM 0 HB3 ALA A 81 19.201 -3.893 -19.201 1.00 0.00 H new ATOM 1288 N LEU A 82 22.713 -3.342 -18.337 1.00 0.00 N ATOM 1289 CA LEU A 82 23.646 -2.277 -18.648 1.00 0.00 C ATOM 1290 C LEU A 82 23.528 -1.857 -20.112 1.00 0.00 C ATOM 1291 O LEU A 82 23.640 -2.681 -21.022 1.00 0.00 O ATOM 1292 CB LEU A 82 25.075 -2.719 -18.329 1.00 0.00 C ATOM 1293 CG LEU A 82 26.150 -1.651 -18.532 1.00 0.00 C ATOM 1294 CD1 LEU A 82 25.823 -0.398 -17.734 1.00 0.00 C ATOM 1295 CD2 LEU A 82 27.507 -2.189 -18.126 1.00 0.00 C ATOM 0 H LEU A 82 23.082 -4.283 -18.475 1.00 0.00 H new ATOM 0 HA LEU A 82 23.400 -1.413 -18.031 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.111 -3.055 -17.293 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.319 -3.580 -18.952 1.00 0.00 H new ATOM 0 HG LEU A 82 26.176 -1.388 -19.590 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.601 0.348 -17.893 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.864 0.002 -18.062 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.769 -0.645 -16.674 1.00 0.00 H new ATOM 0 HD21 LEU A 82 28.263 -1.419 -18.276 1.00 0.00 H new ATOM 0 HD22 LEU A 82 27.485 -2.477 -17.075 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.750 -3.059 -18.735 1.00 0.00 H new ATOM 1307 N LYS A 83 23.285 -0.566 -20.314 1.00 0.00 N ATOM 1308 CA LYS A 83 23.176 0.021 -21.643 1.00 0.00 C ATOM 1309 C LYS A 83 24.505 -0.057 -22.387 1.00 0.00 C ATOM 1310 O LYS A 83 24.632 -0.749 -23.399 1.00 0.00 O ATOM 1311 CB LYS A 83 22.763 1.488 -21.530 1.00 0.00 C ATOM 1312 CG LYS A 83 22.842 2.242 -22.843 1.00 0.00 C ATOM 1313 CD LYS A 83 22.872 3.737 -22.614 1.00 0.00 C ATOM 1314 CE LYS A 83 21.542 4.250 -22.116 1.00 0.00 C ATOM 1315 NZ LYS A 83 21.563 5.725 -21.919 1.00 0.00 N ATOM 0 H LYS A 83 23.158 0.105 -19.556 1.00 0.00 H new ATOM 0 HA LYS A 83 22.424 -0.541 -22.197 1.00 0.00 H new ATOM 0 HB2 LYS A 83 21.743 1.542 -21.150 1.00 0.00 H new ATOM 0 HB3 LYS A 83 23.402 1.982 -20.798 1.00 0.00 H new ATOM 0 HG2 LYS A 83 23.736 1.937 -23.388 1.00 0.00 H new ATOM 0 HG3 LYS A 83 21.985 1.984 -23.466 1.00 0.00 H new ATOM 0 HD2 LYS A 83 23.650 3.979 -21.890 1.00 0.00 H new ATOM 0 HD3 LYS A 83 23.133 4.243 -23.544 1.00 0.00 H new ATOM 0 HE2 LYS A 83 20.760 3.989 -22.829 1.00 0.00 H new ATOM 0 HE3 LYS A 83 21.292 3.760 -21.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 20.608 6.056 -21.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 22.219 5.963 -21.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 21.876 6.188 -22.796 1.00 0.00 H new ATOM 1329 N GLU A 84 25.490 0.657 -21.864 1.00 0.00 N ATOM 1330 CA GLU A 84 26.768 0.806 -22.532 1.00 0.00 C ATOM 1331 C GLU A 84 27.917 0.557 -21.568 1.00 0.00 C ATOM 1332 O GLU A 84 27.848 0.914 -20.391 1.00 0.00 O ATOM 1333 CB GLU A 84 26.878 2.207 -23.144 1.00 0.00 C ATOM 1334 CG GLU A 84 26.510 3.325 -22.178 1.00 0.00 C ATOM 1335 CD GLU A 84 26.623 4.701 -22.801 1.00 0.00 C ATOM 1336 OE1 GLU A 84 25.929 4.972 -23.803 1.00 0.00 O ATOM 1337 OE2 GLU A 84 27.400 5.529 -22.288 1.00 0.00 O ATOM 0 H GLU A 84 25.424 1.145 -20.971 1.00 0.00 H new ATOM 0 HA GLU A 84 26.830 0.065 -23.329 1.00 0.00 H new ATOM 0 HB2 GLU A 84 27.898 2.362 -23.494 1.00 0.00 H new ATOM 0 HB3 GLU A 84 26.229 2.265 -24.018 1.00 0.00 H new ATOM 0 HG2 GLU A 84 25.490 3.173 -21.826 1.00 0.00 H new ATOM 0 HG3 GLU A 84 27.160 3.272 -21.304 1.00 0.00 H new ATOM 1344 N ARG A 85 28.947 -0.092 -22.077 1.00 0.00 N ATOM 1345 CA ARG A 85 30.166 -0.348 -21.327 1.00 0.00 C ATOM 1346 C ARG A 85 31.350 -0.373 -22.283 1.00 0.00 C ATOM 1347 O ARG A 85 32.354 -1.048 -22.048 1.00 0.00 O ATOM 1348 CB ARG A 85 30.055 -1.670 -20.564 1.00 0.00 C ATOM 1349 CG ARG A 85 29.410 -2.788 -21.363 1.00 0.00 C ATOM 1350 CD ARG A 85 29.320 -4.064 -20.549 1.00 0.00 C ATOM 1351 NE ARG A 85 28.372 -5.014 -21.123 1.00 0.00 N ATOM 1352 CZ ARG A 85 28.521 -6.334 -21.069 1.00 0.00 C ATOM 1353 NH1 ARG A 85 29.607 -6.858 -20.515 1.00 0.00 N ATOM 1354 NH2 ARG A 85 27.581 -7.120 -21.576 1.00 0.00 N ATOM 0 H ARG A 85 28.963 -0.459 -23.028 1.00 0.00 H new ATOM 0 HA ARG A 85 30.316 0.448 -20.598 1.00 0.00 H new ATOM 0 HB2 ARG A 85 31.052 -1.985 -20.256 1.00 0.00 H new ATOM 0 HB3 ARG A 85 29.477 -1.506 -19.655 1.00 0.00 H new ATOM 0 HG2 ARG A 85 28.412 -2.484 -21.678 1.00 0.00 H new ATOM 0 HG3 ARG A 85 29.988 -2.971 -22.269 1.00 0.00 H new ATOM 0 HD2 ARG A 85 30.305 -4.526 -20.490 1.00 0.00 H new ATOM 0 HD3 ARG A 85 29.019 -3.823 -19.529 1.00 0.00 H new ATOM 0 HE ARG A 85 27.546 -4.643 -21.593 1.00 0.00 H new ATOM 0 HH11 ARG A 85 30.328 -6.248 -20.130 1.00 0.00 H new ATOM 0 HH12 ARG A 85 29.721 -7.871 -20.474 1.00 0.00 H new ATOM 0 HH21 ARG A 85 26.750 -6.711 -22.004 1.00 0.00 H new ATOM 0 HH22 ARG A 85 27.689 -8.134 -21.538 1.00 0.00 H new ATOM 1368 N GLY A 86 31.215 0.392 -23.354 1.00 0.00 N ATOM 1369 CA GLY A 86 32.224 0.430 -24.383 1.00 0.00 C ATOM 1370 C GLY A 86 32.411 1.827 -24.917 1.00 0.00 C ATOM 1371 O GLY A 86 31.475 2.642 -24.792 1.00 0.00 O ATOM 1372 OXT GLY A 86 33.482 2.117 -25.482 1.00 0.00 O ATOM 0 H GLY A 86 30.411 0.995 -23.528 1.00 0.00 H new ATOM 0 HA2 GLY A 86 33.169 0.062 -23.982 1.00 0.00 H new ATOM 0 HA3 GLY A 86 31.941 -0.238 -25.197 1.00 0.00 H new TER 1376 GLY A 86