USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 721 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 55 GLN : amide:sc= -1.47! K(o=-0.37!,f=-5.3) USER MOD Set 1.2: A 78 LYS NZ :NH3+ 162:sc= 1.1 (180deg=0) USER MOD Set 2.1: A 18 ASN : amide:sc= -1.34 K(o=-1.6,f=-0.88) USER MOD Set 2.2: A 21 MET CE :methyl -172:sc= -0.252 (180deg=-0.527) USER MOD Single : A 1 MET CE :methyl 168:sc= -0.0204 (180deg=-0.243) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.15) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -0.337 K(o=-0.34,f=-3.1!) USER MOD Single : A 7 HIS : no HE2:sc= -0.0794 K(o=-0.079,f=-1.3) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0154 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -163:sc= -0.166 (180deg=-0.693) USER MOD Single : A 13 THR OG1 : rot 132:sc= 1.09 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.221 K(o=-0.22,f=-4.2!) USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= -0.0525 (180deg=-0.376) USER MOD Single : A 24 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.33!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= 1.19 (180deg=0.724) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0069 X(o=-0.0069,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -166:sc= -0.0159 (180deg=-0.263) USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.21) USER MOD Single : A 58 GLN : amide:sc= 0.55 K(o=0.55,f=-0.79) USER MOD Single : A 62 SER OG : rot -49:sc= 0.105 USER MOD Single : A 63 ASN : amide:sc= -2.06! K(o=-2.1!,f=-0.46) USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0.908 (180deg=0.889) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0.648 K(o=0.65,f=-0.48) USER MOD Single : A 91 LYS NZ :NH3+ 170:sc= -0.0397 (180deg=-0.282) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.267 27.762 18.229 1.00 0.00 N ATOM 2 CA MET A 1 -14.985 27.291 16.844 1.00 52.33 C ATOM 3 C MET A 1 -13.800 26.314 16.813 1.00 64.32 C ATOM 4 O MET A 1 -13.926 25.188 16.329 1.00 50.44 O ATOM 5 CB MET A 1 -14.708 28.481 15.910 1.00 24.22 C ATOM 6 CG MET A 1 -14.357 28.066 14.484 1.00 63.21 C ATOM 7 SD MET A 1 -15.612 26.998 13.742 1.00 13.25 S ATOM 8 CE MET A 1 -17.026 28.101 13.698 1.00 42.35 C ATOM 0 H1 MET A 1 -16.072 28.420 18.215 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.496 26.947 18.833 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.429 28.248 18.608 1.00 0.00 H new ATOM 0 HA MET A 1 -15.872 26.763 16.493 1.00 52.33 H new ATOM 0 HB2 MET A 1 -15.586 29.126 15.887 1.00 24.22 H new ATOM 0 HB3 MET A 1 -13.889 29.072 16.320 1.00 24.22 H new ATOM 0 HG2 MET A 1 -14.235 28.958 13.870 1.00 63.21 H new ATOM 0 HG3 MET A 1 -13.399 27.547 14.486 1.00 63.21 H new ATOM 0 HE1 MET A 1 -17.809 27.664 13.079 1.00 42.35 H new ATOM 0 HE2 MET A 1 -17.403 28.249 14.710 1.00 42.35 H new ATOM 0 HE3 MET A 1 -16.726 29.061 13.279 1.00 42.35 H new ATOM 20 N GLY A 2 -12.650 26.739 17.339 1.00 54.10 N ATOM 21 CA GLY A 2 -11.458 25.890 17.330 1.00 64.42 C ATOM 22 C GLY A 2 -11.487 24.774 18.375 1.00 33.01 C ATOM 23 O GLY A 2 -10.491 24.529 19.058 1.00 71.23 O ATOM 0 H GLY A 2 -12.519 27.654 17.771 1.00 54.10 H new ATOM 0 HA2 GLY A 2 -11.347 25.446 16.341 1.00 64.42 H new ATOM 0 HA3 GLY A 2 -10.579 26.512 17.500 1.00 64.42 H new ATOM 27 N HIS A 3 -12.623 24.086 18.495 1.00 52.22 N ATOM 28 CA HIS A 3 -12.764 22.983 19.450 1.00 2.44 C ATOM 29 C HIS A 3 -12.208 21.674 18.870 1.00 53.23 C ATOM 30 O HIS A 3 -12.112 20.662 19.564 1.00 14.24 O ATOM 31 CB HIS A 3 -14.238 22.808 19.844 1.00 73.23 C ATOM 32 CG HIS A 3 -14.453 21.787 20.924 1.00 43.42 C ATOM 33 ND1 HIS A 3 -15.270 20.684 20.772 1.00 62.11 N ATOM 34 CD2 HIS A 3 -13.947 21.704 22.177 1.00 73.51 C ATOM 35 CE1 HIS A 3 -15.248 19.969 21.878 1.00 13.24 C ATOM 36 NE2 HIS A 3 -14.457 20.563 22.743 1.00 33.14 N ATOM 0 H HIS A 3 -13.460 24.272 17.943 1.00 52.22 H new ATOM 0 HA HIS A 3 -12.186 23.229 20.341 1.00 2.44 H new ATOM 0 HB2 HIS A 3 -14.633 23.767 20.178 1.00 73.23 H new ATOM 0 HB3 HIS A 3 -14.809 22.518 18.962 1.00 73.23 H new ATOM 0 HD2 HIS A 3 -13.270 22.404 22.643 1.00 73.51 H new ATOM 0 HE1 HIS A 3 -15.789 19.049 22.046 1.00 13.24 H new ATOM 0 HE2 HIS A 3 -14.254 20.229 23.685 1.00 33.14 H new ATOM 45 N HIS A 4 -11.826 21.706 17.596 1.00 4.34 N ATOM 46 CA HIS A 4 -11.267 20.531 16.916 1.00 61.21 C ATOM 47 C HIS A 4 -9.765 20.383 17.223 1.00 20.34 C ATOM 48 O HIS A 4 -8.974 20.021 16.352 1.00 61.44 O ATOM 49 CB HIS A 4 -11.487 20.645 15.397 1.00 72.12 C ATOM 50 CG HIS A 4 -12.922 20.848 15.009 1.00 53.51 C ATOM 51 ND1 HIS A 4 -13.815 19.808 14.854 1.00 15.14 N ATOM 52 CD2 HIS A 4 -13.620 21.980 14.744 1.00 40.42 C ATOM 53 CE1 HIS A 4 -14.993 20.288 14.508 1.00 54.12 C ATOM 54 NE2 HIS A 4 -14.903 21.600 14.438 1.00 5.30 N ATOM 0 H HIS A 4 -11.892 22.536 17.007 1.00 4.34 H new ATOM 0 HA HIS A 4 -11.782 19.644 17.286 1.00 61.21 H new ATOM 0 HB2 HIS A 4 -10.895 21.477 15.015 1.00 72.12 H new ATOM 0 HB3 HIS A 4 -11.114 19.741 14.916 1.00 72.12 H new ATOM 0 HD2 HIS A 4 -13.238 22.990 14.769 1.00 40.42 H new ATOM 0 HE1 HIS A 4 -15.881 19.704 14.315 1.00 54.12 H new ATOM 0 HE2 HIS A 4 -15.665 22.233 14.195 1.00 5.30 H new ATOM 63 N HIS A 5 -9.388 20.633 18.476 1.00 62.10 N ATOM 64 CA HIS A 5 -7.978 20.646 18.879 1.00 63.23 C ATOM 65 C HIS A 5 -7.355 19.240 18.850 1.00 42.40 C ATOM 66 O HIS A 5 -7.604 18.417 19.732 1.00 33.04 O ATOM 67 CB HIS A 5 -7.838 21.259 20.280 1.00 64.44 C ATOM 68 CG HIS A 5 -6.417 21.365 20.751 1.00 4.03 C ATOM 69 ND1 HIS A 5 -5.551 22.342 20.314 1.00 42.43 N ATOM 70 CD2 HIS A 5 -5.710 20.608 21.625 1.00 33.41 C ATOM 71 CE1 HIS A 5 -4.379 22.185 20.893 1.00 61.40 C ATOM 72 NE2 HIS A 5 -4.448 21.142 21.693 1.00 13.35 N ATOM 0 H HIS A 5 -10.041 20.830 19.234 1.00 62.10 H new ATOM 0 HA HIS A 5 -7.435 21.257 18.157 1.00 63.23 H new ATOM 0 HB2 HIS A 5 -8.287 22.252 20.279 1.00 64.44 H new ATOM 0 HB3 HIS A 5 -8.403 20.655 20.990 1.00 64.44 H new ATOM 0 HD2 HIS A 5 -6.072 19.746 22.166 1.00 33.41 H new ATOM 0 HE1 HIS A 5 -3.509 22.806 20.738 1.00 61.40 H new ATOM 0 HE2 HIS A 5 -3.686 20.788 22.271 1.00 13.35 H new ATOM 81 N HIS A 6 -6.539 18.977 17.834 1.00 60.30 N ATOM 82 CA HIS A 6 -5.848 17.694 17.705 1.00 30.24 C ATOM 83 C HIS A 6 -4.487 17.855 17.012 1.00 62.14 C ATOM 84 O HIS A 6 -4.369 18.546 16.001 1.00 62.12 O ATOM 85 CB HIS A 6 -6.716 16.683 16.936 1.00 62.30 C ATOM 86 CG HIS A 6 -7.182 17.162 15.587 1.00 53.14 C ATOM 87 ND1 HIS A 6 -6.325 17.498 14.560 1.00 75.44 N ATOM 88 CD2 HIS A 6 -8.431 17.349 15.098 1.00 73.21 C ATOM 89 CE1 HIS A 6 -7.022 17.867 13.507 1.00 22.44 C ATOM 90 NE2 HIS A 6 -8.302 17.787 13.803 1.00 74.33 N ATOM 0 H HIS A 6 -6.338 19.638 17.083 1.00 60.30 H new ATOM 0 HA HIS A 6 -5.673 17.315 18.712 1.00 30.24 H new ATOM 0 HB2 HIS A 6 -6.149 15.762 16.805 1.00 62.30 H new ATOM 0 HB3 HIS A 6 -7.588 16.437 17.542 1.00 62.30 H new ATOM 0 HD1 HIS A 6 -5.307 17.465 14.609 1.00 75.44 H new ATOM 0 HD2 HIS A 6 -9.357 17.184 15.628 1.00 73.21 H new ATOM 0 HE1 HIS A 6 -6.613 18.183 12.559 1.00 22.44 H new ATOM 99 N HIS A 7 -3.463 17.213 17.567 1.00 21.23 N ATOM 100 CA HIS A 7 -2.132 17.171 16.945 1.00 65.42 C ATOM 101 C HIS A 7 -1.815 15.746 16.470 1.00 31.44 C ATOM 102 O HIS A 7 -0.654 15.366 16.324 1.00 54.32 O ATOM 103 CB HIS A 7 -1.060 17.656 17.935 1.00 12.21 C ATOM 104 CG HIS A 7 -0.991 16.853 19.198 1.00 63.15 C ATOM 105 ND1 HIS A 7 -0.455 15.584 19.256 1.00 51.40 N ATOM 106 CD2 HIS A 7 -1.390 17.145 20.458 1.00 10.54 C ATOM 107 CE1 HIS A 7 -0.527 15.132 20.491 1.00 41.02 C ATOM 108 NE2 HIS A 7 -1.088 16.057 21.239 1.00 40.43 N ATOM 0 H HIS A 7 -3.525 16.710 18.452 1.00 21.23 H new ATOM 0 HA HIS A 7 -2.130 17.837 16.082 1.00 65.42 H new ATOM 0 HB2 HIS A 7 -0.087 17.627 17.444 1.00 12.21 H new ATOM 0 HB3 HIS A 7 -1.258 18.697 18.189 1.00 12.21 H new ATOM 0 HD1 HIS A 7 -0.063 15.074 18.464 1.00 51.40 H new ATOM 0 HD2 HIS A 7 -1.858 18.061 20.787 1.00 10.54 H new ATOM 0 HE1 HIS A 7 -0.184 14.166 20.831 1.00 41.02 H new ATOM 117 N HIS A 8 -2.867 14.968 16.226 1.00 5.24 N ATOM 118 CA HIS A 8 -2.730 13.566 15.829 1.00 13.15 C ATOM 119 C HIS A 8 -3.643 13.244 14.634 1.00 55.11 C ATOM 120 O HIS A 8 -4.862 13.155 14.779 1.00 20.24 O ATOM 121 CB HIS A 8 -3.072 12.658 17.021 1.00 52.24 C ATOM 122 CG HIS A 8 -2.769 11.207 16.800 1.00 33.50 C ATOM 123 ND1 HIS A 8 -1.617 10.611 17.254 1.00 11.25 N ATOM 124 CD2 HIS A 8 -3.478 10.227 16.186 1.00 25.21 C ATOM 125 CE1 HIS A 8 -1.623 9.336 16.931 1.00 73.33 C ATOM 126 NE2 HIS A 8 -2.738 9.073 16.286 1.00 31.05 N ATOM 0 H HIS A 8 -3.833 15.287 16.297 1.00 5.24 H new ATOM 0 HA HIS A 8 -1.699 13.387 15.523 1.00 13.15 H new ATOM 0 HB2 HIS A 8 -2.520 13.003 17.895 1.00 52.24 H new ATOM 0 HB3 HIS A 8 -4.132 12.764 17.251 1.00 52.24 H new ATOM 0 HD2 HIS A 8 -4.441 10.333 15.709 1.00 25.21 H new ATOM 0 HE1 HIS A 8 -0.843 8.624 17.158 1.00 73.33 H new ATOM 0 HE2 HIS A 8 -3.010 8.161 15.919 1.00 31.05 H new ATOM 135 N SER A 9 -3.046 13.074 13.457 1.00 4.41 N ATOM 136 CA SER A 9 -3.804 12.777 12.229 1.00 45.22 C ATOM 137 C SER A 9 -3.039 11.790 11.334 1.00 72.34 C ATOM 138 O SER A 9 -1.987 11.277 11.719 1.00 51.41 O ATOM 139 CB SER A 9 -4.094 14.075 11.452 1.00 24.41 C ATOM 140 OG SER A 9 -4.886 13.831 10.295 1.00 73.40 O ATOM 0 H SER A 9 -2.037 13.136 13.320 1.00 4.41 H new ATOM 0 HA SER A 9 -4.748 12.317 12.519 1.00 45.22 H new ATOM 0 HB2 SER A 9 -4.609 14.781 12.103 1.00 24.41 H new ATOM 0 HB3 SER A 9 -3.153 14.541 11.157 1.00 24.41 H new ATOM 0 HG SER A 9 -5.052 14.676 9.828 1.00 73.40 H new ATOM 146 N HIS A 10 -3.574 11.512 10.146 1.00 55.24 N ATOM 147 CA HIS A 10 -2.927 10.593 9.197 1.00 10.43 C ATOM 148 C HIS A 10 -2.822 11.224 7.799 1.00 74.23 C ATOM 149 O HIS A 10 -3.571 12.143 7.464 1.00 13.12 O ATOM 150 CB HIS A 10 -3.703 9.267 9.115 1.00 30.22 C ATOM 151 CG HIS A 10 -3.923 8.601 10.443 1.00 20.35 C ATOM 152 ND1 HIS A 10 -2.909 8.017 11.176 1.00 23.21 N ATOM 153 CD2 HIS A 10 -5.053 8.421 11.172 1.00 22.05 C ATOM 154 CE1 HIS A 10 -3.403 7.510 12.287 1.00 35.53 C ATOM 155 NE2 HIS A 10 -4.700 7.741 12.311 1.00 23.21 N ATOM 0 H HIS A 10 -4.453 11.907 9.813 1.00 55.24 H new ATOM 0 HA HIS A 10 -1.920 10.394 9.562 1.00 10.43 H new ATOM 0 HB2 HIS A 10 -4.671 9.453 8.650 1.00 30.22 H new ATOM 0 HB3 HIS A 10 -3.162 8.582 8.462 1.00 30.22 H new ATOM 0 HD2 HIS A 10 -6.046 8.751 10.906 1.00 22.05 H new ATOM 0 HE1 HIS A 10 -2.840 6.992 13.049 1.00 35.53 H new ATOM 0 HE2 HIS A 10 -5.338 7.460 13.055 1.00 23.21 H new ATOM 164 N MET A 11 -1.885 10.725 6.990 1.00 54.35 N ATOM 165 CA MET A 11 -1.689 11.225 5.619 1.00 33.41 C ATOM 166 C MET A 11 -2.953 11.057 4.757 1.00 13.44 C ATOM 167 O MET A 11 -3.713 10.095 4.919 1.00 23.24 O ATOM 168 CB MET A 11 -0.508 10.507 4.947 1.00 13.11 C ATOM 169 CG MET A 11 0.839 10.763 5.610 1.00 50.54 C ATOM 170 SD MET A 11 2.200 9.972 4.729 1.00 23.51 S ATOM 171 CE MET A 11 1.725 8.244 4.830 1.00 51.24 C ATOM 0 H MET A 11 -1.248 9.975 7.257 1.00 54.35 H new ATOM 0 HA MET A 11 -1.473 12.291 5.696 1.00 33.41 H new ATOM 0 HB2 MET A 11 -0.702 9.434 4.947 1.00 13.11 H new ATOM 0 HB3 MET A 11 -0.452 10.821 3.905 1.00 13.11 H new ATOM 0 HG2 MET A 11 1.018 11.837 5.660 1.00 50.54 H new ATOM 0 HG3 MET A 11 0.812 10.396 6.636 1.00 50.54 H new ATOM 0 HE1 MET A 11 2.588 7.616 4.608 1.00 51.24 H new ATOM 0 HE2 MET A 11 1.365 8.024 5.835 1.00 51.24 H new ATOM 0 HE3 MET A 11 0.934 8.041 4.108 1.00 51.24 H new ATOM 181 N LEU A 12 -3.170 11.999 3.840 1.00 53.45 N ATOM 182 CA LEU A 12 -4.327 11.958 2.938 1.00 35.10 C ATOM 183 C LEU A 12 -3.892 11.908 1.464 1.00 62.34 C ATOM 184 O LEU A 12 -2.711 11.766 1.157 1.00 2.25 O ATOM 185 CB LEU A 12 -5.229 13.177 3.178 1.00 75.11 C ATOM 186 CG LEU A 12 -5.788 13.321 4.603 1.00 2.14 C ATOM 187 CD1 LEU A 12 -6.724 14.521 4.693 1.00 64.11 C ATOM 188 CD2 LEU A 12 -6.509 12.046 5.036 1.00 44.44 C ATOM 0 H LEU A 12 -2.559 12.804 3.700 1.00 53.45 H new ATOM 0 HA LEU A 12 -4.885 11.047 3.155 1.00 35.10 H new ATOM 0 HB2 LEU A 12 -4.664 14.077 2.936 1.00 75.11 H new ATOM 0 HB3 LEU A 12 -6.066 13.129 2.482 1.00 75.11 H new ATOM 0 HG LEU A 12 -4.950 13.485 5.281 1.00 2.14 H new ATOM 0 HD11 LEU A 12 -7.109 14.606 5.709 1.00 64.11 H new ATOM 0 HD12 LEU A 12 -6.178 15.428 4.435 1.00 64.11 H new ATOM 0 HD13 LEU A 12 -7.555 14.387 4.000 1.00 64.11 H new ATOM 0 HD21 LEU A 12 -6.896 12.172 6.047 1.00 44.44 H new ATOM 0 HD22 LEU A 12 -7.335 11.846 4.354 1.00 44.44 H new ATOM 0 HD23 LEU A 12 -5.811 11.209 5.016 1.00 44.44 H new ATOM 200 N THR A 13 -4.864 12.014 0.561 1.00 0.32 N ATOM 201 CA THR A 13 -4.610 11.967 -0.889 1.00 23.53 C ATOM 202 C THR A 13 -5.201 13.189 -1.605 1.00 64.40 C ATOM 203 O THR A 13 -5.545 14.185 -0.970 1.00 41.44 O ATOM 204 CB THR A 13 -5.238 10.702 -1.506 1.00 50.41 C ATOM 205 OG1 THR A 13 -6.631 10.643 -1.167 1.00 12.45 O ATOM 206 CG2 THR A 13 -4.532 9.451 -1.018 1.00 64.15 C ATOM 0 H THR A 13 -5.847 12.134 0.805 1.00 0.32 H new ATOM 0 HA THR A 13 -3.528 11.959 -1.021 1.00 23.53 H new ATOM 0 HB THR A 13 -5.127 10.753 -2.589 1.00 50.41 H new ATOM 0 HG1 THR A 13 -7.156 10.449 -1.972 1.00 12.45 H new ATOM 0 HG21 THR A 13 -4.995 8.573 -1.468 1.00 64.15 H new ATOM 0 HG22 THR A 13 -3.480 9.493 -1.302 1.00 64.15 H new ATOM 0 HG23 THR A 13 -4.613 9.387 0.067 1.00 64.15 H new ATOM 214 N LYS A 14 -5.319 13.102 -2.936 1.00 11.41 N ATOM 215 CA LYS A 14 -5.961 14.153 -3.740 1.00 52.22 C ATOM 216 C LYS A 14 -7.356 14.501 -3.193 1.00 54.32 C ATOM 217 O LYS A 14 -7.741 15.668 -3.119 1.00 75.34 O ATOM 218 CB LYS A 14 -6.127 13.686 -5.195 1.00 14.30 C ATOM 219 CG LYS A 14 -4.874 13.106 -5.856 1.00 64.14 C ATOM 220 CD LYS A 14 -3.833 14.164 -6.238 1.00 23.31 C ATOM 221 CE LYS A 14 -2.927 14.561 -5.074 1.00 62.32 C ATOM 222 NZ LYS A 14 -1.881 15.526 -5.505 1.00 3.15 N ATOM 0 H LYS A 14 -4.977 12.311 -3.482 1.00 11.41 H new ATOM 0 HA LYS A 14 -5.319 15.032 -3.691 1.00 52.22 H new ATOM 0 HB2 LYS A 14 -6.914 12.932 -5.227 1.00 14.30 H new ATOM 0 HB3 LYS A 14 -6.471 14.531 -5.791 1.00 14.30 H new ATOM 0 HG2 LYS A 14 -4.416 12.387 -5.177 1.00 64.14 H new ATOM 0 HG3 LYS A 14 -5.167 12.558 -6.751 1.00 64.14 H new ATOM 0 HD2 LYS A 14 -3.220 13.783 -7.055 1.00 23.31 H new ATOM 0 HD3 LYS A 14 -4.345 15.051 -6.611 1.00 23.31 H new ATOM 0 HE2 LYS A 14 -3.527 15.003 -4.279 1.00 62.32 H new ATOM 0 HE3 LYS A 14 -2.454 13.671 -4.659 1.00 62.32 H new ATOM 0 HZ1 LYS A 14 -1.283 15.776 -4.692 1.00 3.15 H new ATOM 0 HZ2 LYS A 14 -1.294 15.094 -6.247 1.00 3.15 H new ATOM 0 HZ3 LYS A 14 -2.334 16.385 -5.878 1.00 3.15 H new ATOM 236 N HIS A 15 -8.110 13.466 -2.831 1.00 41.11 N ATOM 237 CA HIS A 15 -9.507 13.627 -2.411 1.00 31.11 C ATOM 238 C HIS A 15 -9.677 13.500 -0.884 1.00 5.02 C ATOM 239 O HIS A 15 -10.797 13.494 -0.371 1.00 30.14 O ATOM 240 CB HIS A 15 -10.363 12.590 -3.143 1.00 72.35 C ATOM 241 CG HIS A 15 -10.104 12.564 -4.625 1.00 41.40 C ATOM 242 ND1 HIS A 15 -9.743 11.425 -5.311 1.00 3.43 N ATOM 243 CD2 HIS A 15 -10.128 13.555 -5.548 1.00 22.33 C ATOM 244 CE1 HIS A 15 -9.562 11.712 -6.583 1.00 61.10 C ATOM 245 NE2 HIS A 15 -9.790 12.997 -6.756 1.00 10.13 N ATOM 0 H HIS A 15 -7.779 12.501 -2.819 1.00 41.11 H new ATOM 0 HA HIS A 15 -9.834 14.633 -2.673 1.00 31.11 H new ATOM 0 HB2 HIS A 15 -10.165 11.602 -2.726 1.00 72.35 H new ATOM 0 HB3 HIS A 15 -11.417 12.805 -2.966 1.00 72.35 H new ATOM 0 HD2 HIS A 15 -10.369 14.592 -5.367 1.00 22.33 H new ATOM 0 HE1 HIS A 15 -9.275 11.012 -7.354 1.00 61.10 H new ATOM 0 HE2 HIS A 15 -9.726 13.497 -7.643 1.00 10.13 H new ATOM 254 N GLY A 16 -8.557 13.389 -0.169 1.00 72.33 N ATOM 255 CA GLY A 16 -8.581 13.388 1.296 1.00 24.15 C ATOM 256 C GLY A 16 -9.096 12.093 1.930 1.00 24.21 C ATOM 257 O GLY A 16 -9.103 11.963 3.154 1.00 20.33 O ATOM 0 H GLY A 16 -7.626 13.299 -0.577 1.00 72.33 H new ATOM 0 HA2 GLY A 16 -7.572 13.579 1.662 1.00 24.15 H new ATOM 0 HA3 GLY A 16 -9.205 14.215 1.636 1.00 24.15 H new ATOM 261 N LYS A 17 -9.495 11.124 1.112 1.00 13.15 N ATOM 262 CA LYS A 17 -10.094 9.877 1.615 1.00 3.24 C ATOM 263 C LYS A 17 -9.045 8.823 2.022 1.00 60.41 C ATOM 264 O LYS A 17 -9.289 7.627 1.885 1.00 53.43 O ATOM 265 CB LYS A 17 -11.037 9.289 0.551 1.00 71.41 C ATOM 266 CG LYS A 17 -12.354 10.046 0.414 1.00 43.22 C ATOM 267 CD LYS A 17 -13.236 9.456 -0.686 1.00 62.22 C ATOM 268 CE LYS A 17 -14.651 10.019 -0.637 1.00 12.42 C ATOM 269 NZ LYS A 17 -15.359 9.619 0.608 1.00 33.33 N ATOM 0 H LYS A 17 -9.417 11.172 0.096 1.00 13.15 H new ATOM 0 HA LYS A 17 -10.650 10.133 2.517 1.00 3.24 H new ATOM 0 HB2 LYS A 17 -10.527 9.287 -0.412 1.00 71.41 H new ATOM 0 HB3 LYS A 17 -11.250 8.250 0.801 1.00 71.41 H new ATOM 0 HG2 LYS A 17 -12.889 10.019 1.363 1.00 43.22 H new ATOM 0 HG3 LYS A 17 -12.150 11.094 0.193 1.00 43.22 H new ATOM 0 HD2 LYS A 17 -12.794 9.668 -1.660 1.00 62.22 H new ATOM 0 HD3 LYS A 17 -13.272 8.372 -0.581 1.00 62.22 H new ATOM 0 HE2 LYS A 17 -14.612 11.106 -0.700 1.00 12.42 H new ATOM 0 HE3 LYS A 17 -15.212 9.669 -1.503 1.00 12.42 H new ATOM 0 HZ1 LYS A 17 -16.384 9.732 0.476 1.00 33.33 H new ATOM 0 HZ2 LYS A 17 -15.145 8.625 0.825 1.00 33.33 H new ATOM 0 HZ3 LYS A 17 -15.043 10.221 1.395 1.00 33.33 H new ATOM 283 N ASN A 18 -7.902 9.264 2.561 1.00 23.45 N ATOM 284 CA ASN A 18 -6.823 8.344 2.975 1.00 44.23 C ATOM 285 C ASN A 18 -6.256 7.530 1.791 1.00 11.52 C ATOM 286 O ASN A 18 -7.001 7.001 0.970 1.00 23.11 O ATOM 287 CB ASN A 18 -7.316 7.380 4.076 1.00 41.51 C ATOM 288 CG ASN A 18 -7.422 8.034 5.444 1.00 74.11 C ATOM 289 OD1 ASN A 18 -8.333 7.745 6.213 1.00 5.11 O ATOM 290 ND2 ASN A 18 -6.469 8.882 5.781 1.00 64.32 N ATOM 0 H ASN A 18 -7.696 10.250 2.723 1.00 23.45 H new ATOM 0 HA ASN A 18 -6.019 8.966 3.368 1.00 44.23 H new ATOM 0 HB2 ASN A 18 -8.292 6.985 3.793 1.00 41.51 H new ATOM 0 HB3 ASN A 18 -6.635 6.532 4.138 1.00 41.51 H new ATOM 0 HD21 ASN A 18 -6.477 9.317 6.703 1.00 64.32 H new ATOM 0 HD22 ASN A 18 -5.725 9.102 5.119 1.00 64.32 H new ATOM 297 N PRO A 19 -4.918 7.400 1.701 1.00 63.41 N ATOM 298 CA PRO A 19 -4.267 6.599 0.649 1.00 34.12 C ATOM 299 C PRO A 19 -4.849 5.180 0.529 1.00 44.33 C ATOM 300 O PRO A 19 -4.994 4.652 -0.573 1.00 72.23 O ATOM 301 CB PRO A 19 -2.787 6.553 1.080 1.00 24.35 C ATOM 302 CG PRO A 19 -2.752 7.107 2.471 1.00 64.23 C ATOM 303 CD PRO A 19 -3.932 8.027 2.591 1.00 24.21 C ATOM 0 HA PRO A 19 -4.417 7.039 -0.337 1.00 34.12 H new ATOM 0 HB2 PRO A 19 -2.404 5.533 1.055 1.00 24.35 H new ATOM 0 HB3 PRO A 19 -2.165 7.144 0.408 1.00 24.35 H new ATOM 0 HG2 PRO A 19 -2.807 6.307 3.209 1.00 64.23 H new ATOM 0 HG3 PRO A 19 -1.821 7.644 2.652 1.00 64.23 H new ATOM 0 HD2 PRO A 19 -4.294 8.090 3.617 1.00 24.21 H new ATOM 0 HD3 PRO A 19 -3.689 9.042 2.276 1.00 24.21 H new ATOM 311 N VAL A 20 -5.191 4.576 1.670 1.00 51.41 N ATOM 312 CA VAL A 20 -5.756 3.223 1.691 1.00 75.25 C ATOM 313 C VAL A 20 -7.111 3.164 0.964 1.00 40.04 C ATOM 314 O VAL A 20 -7.275 2.423 -0.003 1.00 24.21 O ATOM 315 CB VAL A 20 -5.940 2.703 3.139 1.00 65.22 C ATOM 316 CG1 VAL A 20 -6.356 1.232 3.132 1.00 34.31 C ATOM 317 CG2 VAL A 20 -4.667 2.914 3.961 1.00 23.33 C ATOM 0 H VAL A 20 -5.087 5.002 2.591 1.00 51.41 H new ATOM 0 HA VAL A 20 -5.042 2.585 1.170 1.00 75.25 H new ATOM 0 HB VAL A 20 -6.737 3.277 3.611 1.00 65.22 H new ATOM 0 HG11 VAL A 20 -6.480 0.884 4.157 1.00 34.31 H new ATOM 0 HG12 VAL A 20 -7.298 1.123 2.595 1.00 34.31 H new ATOM 0 HG13 VAL A 20 -5.586 0.639 2.639 1.00 34.31 H new ATOM 0 HG21 VAL A 20 -4.822 2.541 4.973 1.00 23.33 H new ATOM 0 HG22 VAL A 20 -3.841 2.374 3.498 1.00 23.33 H new ATOM 0 HG23 VAL A 20 -4.430 3.977 3.998 1.00 23.33 H new ATOM 327 N MET A 21 -8.077 3.960 1.430 1.00 32.40 N ATOM 328 CA MET A 21 -9.426 3.952 0.848 1.00 15.24 C ATOM 329 C MET A 21 -9.419 4.479 -0.594 1.00 22.42 C ATOM 330 O MET A 21 -10.077 3.914 -1.464 1.00 33.54 O ATOM 331 CB MET A 21 -10.403 4.765 1.710 1.00 43.45 C ATOM 332 CG MET A 21 -10.531 4.255 3.140 1.00 50.41 C ATOM 333 SD MET A 21 -11.902 5.018 4.034 1.00 63.20 S ATOM 334 CE MET A 21 -11.357 6.723 4.135 1.00 24.33 C ATOM 0 H MET A 21 -7.954 4.614 2.203 1.00 32.40 H new ATOM 0 HA MET A 21 -9.764 2.916 0.827 1.00 15.24 H new ATOM 0 HB2 MET A 21 -10.075 5.804 1.733 1.00 43.45 H new ATOM 0 HB3 MET A 21 -11.386 4.751 1.240 1.00 43.45 H new ATOM 0 HG2 MET A 21 -10.670 3.174 3.124 1.00 50.41 H new ATOM 0 HG3 MET A 21 -9.601 4.449 3.675 1.00 50.41 H new ATOM 0 HE1 MET A 21 -12.032 7.283 4.782 1.00 24.33 H new ATOM 0 HE2 MET A 21 -10.348 6.759 4.546 1.00 24.33 H new ATOM 0 HE3 MET A 21 -11.359 7.165 3.139 1.00 24.33 H new ATOM 344 N GLU A 22 -8.669 5.557 -0.841 1.00 10.23 N ATOM 345 CA GLU A 22 -8.519 6.102 -2.198 1.00 61.20 C ATOM 346 C GLU A 22 -8.122 5.004 -3.194 1.00 53.02 C ATOM 347 O GLU A 22 -8.894 4.651 -4.084 1.00 72.21 O ATOM 348 CB GLU A 22 -7.452 7.209 -2.223 1.00 73.12 C ATOM 349 CG GLU A 22 -7.241 7.840 -3.604 1.00 63.43 C ATOM 350 CD GLU A 22 -8.235 8.952 -3.910 1.00 63.43 C ATOM 351 OE1 GLU A 22 -7.946 10.126 -3.579 1.00 10.22 O ATOM 352 OE2 GLU A 22 -9.306 8.665 -4.482 1.00 55.42 O ATOM 0 H GLU A 22 -8.157 6.070 -0.123 1.00 10.23 H new ATOM 0 HA GLU A 22 -9.483 6.517 -2.490 1.00 61.20 H new ATOM 0 HB2 GLU A 22 -7.737 7.990 -1.518 1.00 73.12 H new ATOM 0 HB3 GLU A 22 -6.505 6.795 -1.875 1.00 73.12 H new ATOM 0 HG2 GLU A 22 -6.228 8.239 -3.664 1.00 63.43 H new ATOM 0 HG3 GLU A 22 -7.324 7.066 -4.367 1.00 63.43 H new ATOM 359 N LEU A 23 -6.929 4.443 -3.006 1.00 22.01 N ATOM 360 CA LEU A 23 -6.397 3.411 -3.903 1.00 52.01 C ATOM 361 C LEU A 23 -7.354 2.211 -4.011 1.00 64.45 C ATOM 362 O LEU A 23 -7.602 1.696 -5.102 1.00 71.01 O ATOM 363 CB LEU A 23 -5.024 2.950 -3.400 1.00 73.10 C ATOM 364 CG LEU A 23 -4.282 1.956 -4.309 1.00 51.24 C ATOM 365 CD1 LEU A 23 -3.939 2.594 -5.653 1.00 35.23 C ATOM 366 CD2 LEU A 23 -3.027 1.438 -3.617 1.00 34.51 C ATOM 0 H LEU A 23 -6.306 4.686 -2.236 1.00 22.01 H new ATOM 0 HA LEU A 23 -6.295 3.843 -4.899 1.00 52.01 H new ATOM 0 HB2 LEU A 23 -4.394 3.829 -3.262 1.00 73.10 H new ATOM 0 HB3 LEU A 23 -5.151 2.492 -2.419 1.00 73.10 H new ATOM 0 HG LEU A 23 -4.942 1.110 -4.502 1.00 51.24 H new ATOM 0 HD11 LEU A 23 -3.415 1.870 -6.276 1.00 35.23 H new ATOM 0 HD12 LEU A 23 -4.856 2.906 -6.152 1.00 35.23 H new ATOM 0 HD13 LEU A 23 -3.301 3.463 -5.491 1.00 35.23 H new ATOM 0 HD21 LEU A 23 -2.513 0.736 -4.273 1.00 34.51 H new ATOM 0 HD22 LEU A 23 -2.365 2.274 -3.391 1.00 34.51 H new ATOM 0 HD23 LEU A 23 -3.304 0.933 -2.691 1.00 34.51 H new ATOM 378 N ASN A 24 -7.897 1.791 -2.870 1.00 33.42 N ATOM 379 CA ASN A 24 -8.837 0.664 -2.812 1.00 62.31 C ATOM 380 C ASN A 24 -10.106 0.945 -3.646 1.00 43.20 C ATOM 381 O ASN A 24 -10.709 0.029 -4.208 1.00 41.34 O ATOM 382 CB ASN A 24 -9.208 0.386 -1.346 1.00 72.30 C ATOM 383 CG ASN A 24 -9.855 -0.973 -1.123 1.00 74.43 C ATOM 384 OD1 ASN A 24 -10.523 -1.522 -1.991 1.00 51.31 O ATOM 385 ND2 ASN A 24 -9.668 -1.524 0.060 1.00 22.54 N ATOM 0 H ASN A 24 -7.702 2.216 -1.964 1.00 33.42 H new ATOM 0 HA ASN A 24 -8.353 -0.214 -3.239 1.00 62.31 H new ATOM 0 HB2 ASN A 24 -8.309 0.454 -0.734 1.00 72.30 H new ATOM 0 HB3 ASN A 24 -9.889 1.163 -1.000 1.00 72.30 H new ATOM 0 HD21 ASN A 24 -10.084 -2.431 0.272 1.00 22.54 H new ATOM 0 HD22 ASN A 24 -9.107 -1.044 0.763 1.00 22.54 H new ATOM 392 N GLU A 25 -10.513 2.214 -3.724 1.00 3.04 N ATOM 393 CA GLU A 25 -11.703 2.589 -4.499 1.00 61.34 C ATOM 394 C GLU A 25 -11.350 2.937 -5.955 1.00 25.24 C ATOM 395 O GLU A 25 -12.185 2.798 -6.854 1.00 35.54 O ATOM 396 CB GLU A 25 -12.443 3.760 -3.838 1.00 11.42 C ATOM 397 CG GLU A 25 -12.947 3.450 -2.430 1.00 51.23 C ATOM 398 CD GLU A 25 -14.007 4.431 -1.956 1.00 62.22 C ATOM 399 OE1 GLU A 25 -13.648 5.538 -1.500 1.00 42.22 O ATOM 400 OE2 GLU A 25 -15.209 4.102 -2.060 1.00 30.45 O ATOM 0 H GLU A 25 -10.043 2.994 -3.265 1.00 3.04 H new ATOM 0 HA GLU A 25 -12.362 1.721 -4.513 1.00 61.34 H new ATOM 0 HB2 GLU A 25 -11.777 4.622 -3.795 1.00 11.42 H new ATOM 0 HB3 GLU A 25 -13.290 4.043 -4.464 1.00 11.42 H new ATOM 0 HG2 GLU A 25 -13.357 2.440 -2.410 1.00 51.23 H new ATOM 0 HG3 GLU A 25 -12.107 3.466 -1.736 1.00 51.23 H new ATOM 407 N LYS A 26 -10.121 3.398 -6.186 1.00 65.34 N ATOM 408 CA LYS A 26 -9.641 3.673 -7.545 1.00 63.13 C ATOM 409 C LYS A 26 -9.452 2.355 -8.318 1.00 4.34 C ATOM 410 O LYS A 26 -9.838 2.235 -9.483 1.00 11.10 O ATOM 411 CB LYS A 26 -8.321 4.471 -7.510 1.00 53.33 C ATOM 412 CG LYS A 26 -8.436 5.860 -6.880 1.00 21.01 C ATOM 413 CD LYS A 26 -9.479 6.736 -7.575 1.00 31.13 C ATOM 414 CE LYS A 26 -9.129 7.021 -9.033 1.00 74.11 C ATOM 415 NZ LYS A 26 -10.147 7.888 -9.684 1.00 51.24 N ATOM 0 H LYS A 26 -9.439 3.589 -5.452 1.00 65.34 H new ATOM 0 HA LYS A 26 -10.389 4.277 -8.058 1.00 63.13 H new ATOM 0 HB2 LYS A 26 -7.578 3.896 -6.958 1.00 53.33 H new ATOM 0 HB3 LYS A 26 -7.949 4.578 -8.529 1.00 53.33 H new ATOM 0 HG2 LYS A 26 -8.697 5.757 -5.827 1.00 21.01 H new ATOM 0 HG3 LYS A 26 -7.466 6.355 -6.921 1.00 21.01 H new ATOM 0 HD2 LYS A 26 -10.451 6.244 -7.528 1.00 31.13 H new ATOM 0 HD3 LYS A 26 -9.573 7.679 -7.037 1.00 31.13 H new ATOM 0 HE2 LYS A 26 -8.153 7.504 -9.085 1.00 74.11 H new ATOM 0 HE3 LYS A 26 -9.049 6.081 -9.579 1.00 74.11 H new ATOM 0 HZ1 LYS A 26 -9.875 8.060 -10.673 1.00 51.24 H new ATOM 0 HZ2 LYS A 26 -11.074 7.416 -9.656 1.00 51.24 H new ATOM 0 HZ3 LYS A 26 -10.205 8.795 -9.178 1.00 51.24 H new ATOM 429 N ARG A 27 -8.863 1.367 -7.649 1.00 60.02 N ATOM 430 CA ARG A 27 -8.721 0.015 -8.199 1.00 40.41 C ATOM 431 C ARG A 27 -9.372 -1.021 -7.270 1.00 62.02 C ATOM 432 O ARG A 27 -8.864 -1.310 -6.191 1.00 1.12 O ATOM 433 CB ARG A 27 -7.239 -0.333 -8.407 1.00 1.43 C ATOM 434 CG ARG A 27 -6.564 0.426 -9.544 1.00 42.32 C ATOM 435 CD ARG A 27 -7.276 0.207 -10.878 1.00 50.32 C ATOM 436 NE ARG A 27 -6.384 0.405 -12.019 1.00 24.51 N ATOM 437 CZ ARG A 27 -6.750 0.886 -13.174 1.00 34.42 C ATOM 438 NH1 ARG A 27 -7.943 1.361 -13.350 1.00 44.35 N ATOM 439 NH2 ARG A 27 -5.910 0.897 -14.155 1.00 34.42 N ATOM 0 H ARG A 27 -8.471 1.477 -6.714 1.00 60.02 H new ATOM 0 HA ARG A 27 -9.228 -0.009 -9.164 1.00 40.41 H new ATOM 0 HB2 ARG A 27 -6.699 -0.132 -7.482 1.00 1.43 H new ATOM 0 HB3 ARG A 27 -7.154 -1.402 -8.600 1.00 1.43 H new ATOM 0 HG2 ARG A 27 -6.549 1.491 -9.311 1.00 42.32 H new ATOM 0 HG3 ARG A 27 -5.526 0.104 -9.629 1.00 42.32 H new ATOM 0 HD2 ARG A 27 -7.684 -0.803 -10.909 1.00 50.32 H new ATOM 0 HD3 ARG A 27 -8.119 0.893 -10.955 1.00 50.32 H new ATOM 0 HE ARG A 27 -5.404 0.148 -11.903 1.00 24.51 H new ATOM 0 HH11 ARG A 27 -8.610 1.362 -12.579 1.00 44.35 H new ATOM 0 HH12 ARG A 27 -8.214 1.734 -14.260 1.00 44.35 H new ATOM 0 HH21 ARG A 27 -4.967 0.531 -14.023 1.00 34.42 H new ATOM 0 HH22 ARG A 27 -6.189 1.272 -15.062 1.00 34.42 H new ATOM 453 N ARG A 28 -10.502 -1.571 -7.692 1.00 12.21 N ATOM 454 CA ARG A 28 -11.221 -2.568 -6.889 1.00 60.41 C ATOM 455 C ARG A 28 -10.585 -3.967 -7.026 1.00 34.02 C ATOM 456 O ARG A 28 -10.355 -4.453 -8.140 1.00 42.02 O ATOM 457 CB ARG A 28 -12.698 -2.615 -7.302 1.00 60.35 C ATOM 458 CG ARG A 28 -13.431 -1.281 -7.157 1.00 35.32 C ATOM 459 CD ARG A 28 -13.496 -0.809 -5.704 1.00 61.33 C ATOM 460 NE ARG A 28 -14.196 -1.761 -4.839 1.00 40.25 N ATOM 461 CZ ARG A 28 -14.931 -1.419 -3.811 1.00 64.24 C ATOM 462 NH1 ARG A 28 -15.134 -0.169 -3.529 1.00 21.44 N ATOM 463 NH2 ARG A 28 -15.484 -2.331 -3.078 1.00 22.42 N ATOM 0 H ARG A 28 -10.945 -1.349 -8.583 1.00 12.21 H new ATOM 0 HA ARG A 28 -11.151 -2.269 -5.843 1.00 60.41 H new ATOM 0 HB2 ARG A 28 -12.763 -2.942 -8.340 1.00 60.35 H new ATOM 0 HB3 ARG A 28 -13.209 -3.365 -6.699 1.00 60.35 H new ATOM 0 HG2 ARG A 28 -12.928 -0.525 -7.760 1.00 35.32 H new ATOM 0 HG3 ARG A 28 -14.443 -1.380 -7.550 1.00 35.32 H new ATOM 0 HD2 ARG A 28 -12.484 -0.657 -5.329 1.00 61.33 H new ATOM 0 HD3 ARG A 28 -14.000 0.156 -5.661 1.00 61.33 H new ATOM 0 HE ARG A 28 -14.105 -2.755 -5.051 1.00 40.25 H new ATOM 0 HH11 ARG A 28 -14.719 0.559 -4.111 1.00 21.44 H new ATOM 0 HH12 ARG A 28 -15.708 0.086 -2.726 1.00 21.44 H new ATOM 0 HH21 ARG A 28 -15.347 -3.317 -3.301 1.00 22.42 H new ATOM 0 HH22 ARG A 28 -16.057 -2.064 -2.277 1.00 22.42 H new ATOM 477 N GLY A 29 -10.301 -4.603 -5.889 1.00 24.14 N ATOM 478 CA GLY A 29 -9.706 -5.940 -5.885 1.00 33.24 C ATOM 479 C GLY A 29 -8.194 -5.918 -5.677 1.00 34.20 C ATOM 480 O GLY A 29 -7.440 -6.470 -6.481 1.00 73.44 O ATOM 0 H GLY A 29 -10.473 -4.215 -4.961 1.00 24.14 H new ATOM 0 HA2 GLY A 29 -10.167 -6.535 -5.097 1.00 33.24 H new ATOM 0 HA3 GLY A 29 -9.930 -6.435 -6.830 1.00 33.24 H new ATOM 484 N LEU A 30 -7.747 -5.285 -4.593 1.00 4.11 N ATOM 485 CA LEU A 30 -6.311 -5.138 -4.316 1.00 3.12 C ATOM 486 C LEU A 30 -5.832 -6.054 -3.178 1.00 23.31 C ATOM 487 O LEU A 30 -6.630 -6.584 -2.400 1.00 10.12 O ATOM 488 CB LEU A 30 -5.989 -3.683 -3.952 1.00 20.12 C ATOM 489 CG LEU A 30 -6.385 -2.636 -4.999 1.00 21.31 C ATOM 490 CD1 LEU A 30 -5.980 -1.241 -4.538 1.00 11.11 C ATOM 491 CD2 LEU A 30 -5.761 -2.959 -6.352 1.00 24.44 C ATOM 0 H LEU A 30 -8.355 -4.865 -3.890 1.00 4.11 H new ATOM 0 HA LEU A 30 -5.786 -5.429 -5.226 1.00 3.12 H new ATOM 0 HB2 LEU A 30 -6.491 -3.442 -3.015 1.00 20.12 H new ATOM 0 HB3 LEU A 30 -4.917 -3.601 -3.770 1.00 20.12 H new ATOM 0 HG LEU A 30 -7.469 -2.660 -5.113 1.00 21.31 H new ATOM 0 HD11 LEU A 30 -6.269 -0.510 -5.293 1.00 11.11 H new ATOM 0 HD12 LEU A 30 -6.481 -1.009 -3.598 1.00 11.11 H new ATOM 0 HD13 LEU A 30 -4.900 -1.205 -4.392 1.00 11.11 H new ATOM 0 HD21 LEU A 30 -6.056 -2.202 -7.079 1.00 24.44 H new ATOM 0 HD22 LEU A 30 -4.675 -2.969 -6.259 1.00 24.44 H new ATOM 0 HD23 LEU A 30 -6.105 -3.938 -6.687 1.00 24.44 H new ATOM 503 N LYS A 31 -4.512 -6.214 -3.095 1.00 64.41 N ATOM 504 CA LYS A 31 -3.859 -6.970 -2.014 1.00 34.31 C ATOM 505 C LYS A 31 -3.348 -6.029 -0.912 1.00 54.15 C ATOM 506 O LYS A 31 -2.672 -5.051 -1.203 1.00 10.05 O ATOM 507 CB LYS A 31 -2.663 -7.754 -2.582 1.00 2.21 C ATOM 508 CG LYS A 31 -1.711 -8.316 -1.520 1.00 11.40 C ATOM 509 CD LYS A 31 -0.270 -8.405 -2.031 1.00 24.12 C ATOM 510 CE LYS A 31 -0.090 -9.473 -3.102 1.00 44.21 C ATOM 511 NZ LYS A 31 -0.343 -10.839 -2.574 1.00 63.11 N ATOM 0 H LYS A 31 -3.859 -5.824 -3.775 1.00 64.41 H new ATOM 0 HA LYS A 31 -4.595 -7.651 -1.587 1.00 34.31 H new ATOM 0 HB2 LYS A 31 -3.039 -8.578 -3.188 1.00 2.21 H new ATOM 0 HB3 LYS A 31 -2.099 -7.101 -3.248 1.00 2.21 H new ATOM 0 HG2 LYS A 31 -1.743 -7.683 -0.633 1.00 11.40 H new ATOM 0 HG3 LYS A 31 -2.050 -9.307 -1.217 1.00 11.40 H new ATOM 0 HD2 LYS A 31 0.028 -7.438 -2.435 1.00 24.12 H new ATOM 0 HD3 LYS A 31 0.395 -8.620 -1.194 1.00 24.12 H new ATOM 0 HE2 LYS A 31 -0.769 -9.273 -3.931 1.00 44.21 H new ATOM 0 HE3 LYS A 31 0.923 -9.420 -3.500 1.00 44.21 H new ATOM 0 HZ1 LYS A 31 -0.033 -11.544 -3.273 1.00 63.11 H new ATOM 0 HZ2 LYS A 31 0.186 -10.972 -1.689 1.00 63.11 H new ATOM 0 HZ3 LYS A 31 -1.360 -10.958 -2.391 1.00 63.11 H new ATOM 525 N TYR A 32 -3.691 -6.305 0.344 1.00 60.12 N ATOM 526 CA TYR A 32 -3.049 -5.635 1.487 1.00 32.25 C ATOM 527 C TYR A 32 -2.537 -6.661 2.512 1.00 53.43 C ATOM 528 O TYR A 32 -3.311 -7.195 3.307 1.00 24.53 O ATOM 529 CB TYR A 32 -4.013 -4.642 2.156 1.00 41.33 C ATOM 530 CG TYR A 32 -4.337 -3.425 1.301 1.00 44.53 C ATOM 531 CD1 TYR A 32 -3.543 -2.281 1.349 1.00 0.45 C ATOM 532 CD2 TYR A 32 -5.438 -3.416 0.451 1.00 24.32 C ATOM 533 CE1 TYR A 32 -3.841 -1.169 0.580 1.00 11.31 C ATOM 534 CE2 TYR A 32 -5.739 -2.311 -0.322 1.00 10.41 C ATOM 535 CZ TYR A 32 -4.939 -1.192 -0.254 1.00 42.53 C ATOM 536 OH TYR A 32 -5.241 -0.089 -1.019 1.00 2.25 O ATOM 0 H TYR A 32 -4.407 -6.985 0.602 1.00 60.12 H new ATOM 0 HA TYR A 32 -2.194 -5.077 1.106 1.00 32.25 H new ATOM 0 HB2 TYR A 32 -4.941 -5.160 2.400 1.00 41.33 H new ATOM 0 HB3 TYR A 32 -3.578 -4.307 3.098 1.00 41.33 H new ATOM 0 HD1 TYR A 32 -2.680 -2.261 1.998 1.00 0.45 H new ATOM 0 HD2 TYR A 32 -6.070 -4.290 0.394 1.00 24.32 H new ATOM 0 HE1 TYR A 32 -3.217 -0.289 0.633 1.00 11.31 H new ATOM 0 HE2 TYR A 32 -6.598 -2.325 -0.977 1.00 10.41 H new ATOM 0 HH TYR A 32 -6.044 -0.270 -1.551 1.00 2.25 H new ATOM 546 N GLU A 33 -1.232 -6.929 2.501 1.00 23.12 N ATOM 547 CA GLU A 33 -0.640 -7.924 3.411 1.00 52.04 C ATOM 548 C GLU A 33 0.587 -7.374 4.152 1.00 55.21 C ATOM 549 O GLU A 33 1.115 -6.312 3.816 1.00 2.23 O ATOM 550 CB GLU A 33 -0.247 -9.191 2.635 1.00 3.34 C ATOM 551 CG GLU A 33 0.854 -8.963 1.606 1.00 13.35 C ATOM 552 CD GLU A 33 1.300 -10.244 0.917 1.00 20.12 C ATOM 553 OE1 GLU A 33 0.583 -10.730 0.018 1.00 41.24 O ATOM 554 OE2 GLU A 33 2.368 -10.781 1.275 1.00 40.21 O ATOM 0 H GLU A 33 -0.563 -6.477 1.878 1.00 23.12 H new ATOM 0 HA GLU A 33 -1.399 -8.167 4.155 1.00 52.04 H new ATOM 0 HB2 GLU A 33 0.081 -9.952 3.343 1.00 3.34 H new ATOM 0 HB3 GLU A 33 -1.129 -9.585 2.129 1.00 3.34 H new ATOM 0 HG2 GLU A 33 0.500 -8.257 0.854 1.00 13.35 H new ATOM 0 HG3 GLU A 33 1.712 -8.503 2.096 1.00 13.35 H new ATOM 561 N LEU A 34 1.035 -8.118 5.160 1.00 54.52 N ATOM 562 CA LEU A 34 2.197 -7.734 5.970 1.00 70.21 C ATOM 563 C LEU A 34 3.485 -8.388 5.441 1.00 44.30 C ATOM 564 O LEU A 34 3.535 -9.603 5.224 1.00 12.13 O ATOM 565 CB LEU A 34 1.975 -8.140 7.436 1.00 21.32 C ATOM 566 CG LEU A 34 3.142 -7.835 8.398 1.00 45.23 C ATOM 567 CD1 LEU A 34 3.329 -6.330 8.581 1.00 2.20 C ATOM 568 CD2 LEU A 34 2.924 -8.522 9.745 1.00 63.03 C ATOM 0 H LEU A 34 0.608 -9.001 5.441 1.00 54.52 H new ATOM 0 HA LEU A 34 2.310 -6.652 5.904 1.00 70.21 H new ATOM 0 HB2 LEU A 34 1.083 -7.632 7.803 1.00 21.32 H new ATOM 0 HB3 LEU A 34 1.770 -9.210 7.471 1.00 21.32 H new ATOM 0 HG LEU A 34 4.055 -8.232 7.954 1.00 45.23 H new ATOM 0 HD11 LEU A 34 4.158 -6.147 9.264 1.00 2.20 H new ATOM 0 HD12 LEU A 34 3.545 -5.870 7.617 1.00 2.20 H new ATOM 0 HD13 LEU A 34 2.417 -5.898 8.993 1.00 2.20 H new ATOM 0 HD21 LEU A 34 3.758 -8.294 10.409 1.00 63.03 H new ATOM 0 HD22 LEU A 34 1.997 -8.162 10.191 1.00 63.03 H new ATOM 0 HD23 LEU A 34 2.862 -9.600 9.598 1.00 63.03 H new ATOM 580 N ILE A 35 4.516 -7.577 5.236 1.00 42.52 N ATOM 581 CA ILE A 35 5.823 -8.066 4.777 1.00 1.54 C ATOM 582 C ILE A 35 6.828 -8.147 5.939 1.00 3.15 C ATOM 583 O ILE A 35 7.403 -9.202 6.204 1.00 42.35 O ATOM 584 CB ILE A 35 6.402 -7.153 3.666 1.00 24.33 C ATOM 585 CG1 ILE A 35 5.423 -7.061 2.484 1.00 31.05 C ATOM 586 CG2 ILE A 35 7.766 -7.663 3.197 1.00 40.43 C ATOM 587 CD1 ILE A 35 5.117 -8.397 1.828 1.00 11.04 C ATOM 0 H ILE A 35 4.477 -6.568 5.380 1.00 42.52 H new ATOM 0 HA ILE A 35 5.665 -9.066 4.373 1.00 1.54 H new ATOM 0 HB ILE A 35 6.539 -6.155 4.081 1.00 24.33 H new ATOM 0 HG12 ILE A 35 4.490 -6.617 2.832 1.00 31.05 H new ATOM 0 HG13 ILE A 35 5.837 -6.386 1.735 1.00 31.05 H new ATOM 0 HG21 ILE A 35 8.152 -7.006 2.417 1.00 40.43 H new ATOM 0 HG22 ILE A 35 8.459 -7.674 4.038 1.00 40.43 H new ATOM 0 HG23 ILE A 35 7.660 -8.673 2.801 1.00 40.43 H new ATOM 0 HD11 ILE A 35 4.420 -8.246 1.004 1.00 11.04 H new ATOM 0 HD12 ILE A 35 6.040 -8.835 1.447 1.00 11.04 H new ATOM 0 HD13 ILE A 35 4.672 -9.069 2.562 1.00 11.04 H new ATOM 599 N SER A 36 7.031 -7.028 6.632 1.00 41.15 N ATOM 600 CA SER A 36 7.973 -6.976 7.764 1.00 22.22 C ATOM 601 C SER A 36 7.297 -6.434 9.027 1.00 32.11 C ATOM 602 O SER A 36 6.446 -5.548 8.958 1.00 50.44 O ATOM 603 CB SER A 36 9.190 -6.105 7.421 1.00 63.54 C ATOM 604 OG SER A 36 10.072 -5.994 8.530 1.00 3.24 O ATOM 0 H SER A 36 6.561 -6.144 6.436 1.00 41.15 H new ATOM 0 HA SER A 36 8.305 -7.996 7.956 1.00 22.22 H new ATOM 0 HB2 SER A 36 9.721 -6.536 6.572 1.00 63.54 H new ATOM 0 HB3 SER A 36 8.856 -5.113 7.118 1.00 63.54 H new ATOM 0 HG SER A 36 10.839 -5.436 8.284 1.00 3.24 H new ATOM 610 N GLU A 37 7.694 -6.963 10.182 1.00 63.32 N ATOM 611 CA GLU A 37 7.092 -6.588 11.465 1.00 74.35 C ATOM 612 C GLU A 37 8.179 -6.428 12.543 1.00 13.32 C ATOM 613 O GLU A 37 8.645 -7.413 13.124 1.00 24.03 O ATOM 614 CB GLU A 37 6.065 -7.659 11.870 1.00 74.33 C ATOM 615 CG GLU A 37 5.353 -7.395 13.192 1.00 72.51 C ATOM 616 CD GLU A 37 4.253 -8.409 13.474 1.00 1.44 C ATOM 617 OE1 GLU A 37 4.572 -9.542 13.894 1.00 14.24 O ATOM 618 OE2 GLU A 37 3.061 -8.081 13.274 1.00 12.14 O ATOM 0 H GLU A 37 8.436 -7.659 10.258 1.00 63.32 H new ATOM 0 HA GLU A 37 6.584 -5.629 11.365 1.00 74.35 H new ATOM 0 HB2 GLU A 37 5.317 -7.742 11.081 1.00 74.33 H new ATOM 0 HB3 GLU A 37 6.571 -8.622 11.932 1.00 74.33 H new ATOM 0 HG2 GLU A 37 6.080 -7.418 14.004 1.00 72.51 H new ATOM 0 HG3 GLU A 37 4.924 -6.393 13.176 1.00 72.51 H new ATOM 625 N THR A 38 8.589 -5.186 12.802 1.00 41.21 N ATOM 626 CA THR A 38 9.726 -4.915 13.697 1.00 54.33 C ATOM 627 C THR A 38 9.298 -4.137 14.949 1.00 30.33 C ATOM 628 O THR A 38 8.634 -3.101 14.854 1.00 54.21 O ATOM 629 CB THR A 38 10.833 -4.109 12.967 1.00 13.20 C ATOM 630 OG1 THR A 38 11.217 -4.778 11.754 1.00 54.32 O ATOM 631 CG2 THR A 38 12.063 -3.924 13.850 1.00 22.15 C ATOM 0 H THR A 38 8.156 -4.351 12.409 1.00 41.21 H new ATOM 0 HA THR A 38 10.116 -5.887 14.000 1.00 54.33 H new ATOM 0 HB THR A 38 10.423 -3.126 12.733 1.00 13.20 H new ATOM 0 HG1 THR A 38 11.915 -4.260 11.301 1.00 54.32 H new ATOM 0 HG21 THR A 38 12.818 -3.355 13.307 1.00 22.15 H new ATOM 0 HG22 THR A 38 11.783 -3.385 14.755 1.00 22.15 H new ATOM 0 HG23 THR A 38 12.467 -4.900 14.119 1.00 22.15 H new ATOM 639 N GLY A 39 9.701 -4.637 16.117 1.00 2.31 N ATOM 640 CA GLY A 39 9.381 -3.979 17.378 1.00 72.02 C ATOM 641 C GLY A 39 10.492 -4.122 18.418 1.00 53.12 C ATOM 642 O GLY A 39 10.518 -5.090 19.181 1.00 12.24 O ATOM 0 H GLY A 39 10.248 -5.493 16.213 1.00 2.31 H new ATOM 0 HA2 GLY A 39 9.196 -2.921 17.194 1.00 72.02 H new ATOM 0 HA3 GLY A 39 8.458 -4.399 17.778 1.00 72.02 H new ATOM 646 N GLY A 40 11.414 -3.162 18.443 1.00 33.15 N ATOM 647 CA GLY A 40 12.513 -3.187 19.406 1.00 45.33 C ATOM 648 C GLY A 40 12.165 -2.522 20.737 1.00 13.23 C ATOM 649 O GLY A 40 11.000 -2.490 21.138 1.00 14.11 O ATOM 0 H GLY A 40 11.423 -2.361 17.811 1.00 33.15 H new ATOM 0 HA2 GLY A 40 12.803 -4.222 19.589 1.00 45.33 H new ATOM 0 HA3 GLY A 40 13.378 -2.686 18.972 1.00 45.33 H new ATOM 653 N SER A 41 13.178 -1.982 21.418 1.00 4.21 N ATOM 654 CA SER A 41 12.992 -1.334 22.729 1.00 41.32 C ATOM 655 C SER A 41 11.949 -0.204 22.661 1.00 3.35 C ATOM 656 O SER A 41 11.073 -0.092 23.520 1.00 11.44 O ATOM 657 CB SER A 41 14.328 -0.770 23.234 1.00 15.11 C ATOM 658 OG SER A 41 15.341 -1.764 23.236 1.00 64.25 O ATOM 0 H SER A 41 14.142 -1.978 21.086 1.00 4.21 H new ATOM 0 HA SER A 41 12.627 -2.092 23.422 1.00 41.32 H new ATOM 0 HB2 SER A 41 14.635 0.064 22.602 1.00 15.11 H new ATOM 0 HB3 SER A 41 14.201 -0.376 24.242 1.00 15.11 H new ATOM 0 HG SER A 41 16.180 -1.375 23.561 1.00 64.25 H new ATOM 664 N HIS A 42 12.069 0.639 21.640 1.00 74.32 N ATOM 665 CA HIS A 42 11.085 1.700 21.365 1.00 3.12 C ATOM 666 C HIS A 42 10.872 1.834 19.853 1.00 42.11 C ATOM 667 O HIS A 42 10.121 2.689 19.379 1.00 54.30 O ATOM 668 CB HIS A 42 11.578 3.038 21.933 1.00 41.34 C ATOM 669 CG HIS A 42 12.786 3.569 21.227 1.00 42.20 C ATOM 670 ND1 HIS A 42 12.754 4.677 20.408 1.00 13.34 N ATOM 671 CD2 HIS A 42 14.068 3.131 21.204 1.00 41.33 C ATOM 672 CE1 HIS A 42 13.953 4.894 19.915 1.00 73.22 C ATOM 673 NE2 HIS A 42 14.771 3.975 20.381 1.00 42.43 N ATOM 0 H HIS A 42 12.845 0.613 20.978 1.00 74.32 H new ATOM 0 HA HIS A 42 10.141 1.435 21.842 1.00 3.12 H new ATOM 0 HB2 HIS A 42 10.775 3.772 21.867 1.00 41.34 H new ATOM 0 HB3 HIS A 42 11.809 2.913 22.991 1.00 41.34 H new ATOM 0 HD2 HIS A 42 14.463 2.277 21.734 1.00 41.33 H new ATOM 0 HE1 HIS A 42 14.222 5.693 19.240 1.00 73.22 H new ATOM 0 HE2 HIS A 42 15.765 3.902 20.166 1.00 42.43 H new ATOM 682 N ASP A 43 11.557 0.972 19.112 1.00 64.04 N ATOM 683 CA ASP A 43 11.624 1.051 17.658 1.00 60.33 C ATOM 684 C ASP A 43 10.476 0.271 17.000 1.00 12.03 C ATOM 685 O ASP A 43 10.445 -0.959 17.042 1.00 42.23 O ATOM 686 CB ASP A 43 12.975 0.493 17.201 1.00 11.51 C ATOM 687 CG ASP A 43 14.132 1.090 17.987 1.00 31.41 C ATOM 688 OD1 ASP A 43 14.343 0.675 19.149 1.00 20.21 O ATOM 689 OD2 ASP A 43 14.826 1.981 17.457 1.00 71.24 O ATOM 0 H ASP A 43 12.085 0.193 19.506 1.00 64.04 H new ATOM 0 HA ASP A 43 11.524 2.093 17.354 1.00 60.33 H new ATOM 0 HB2 ASP A 43 12.978 -0.591 17.318 1.00 11.51 H new ATOM 0 HB3 ASP A 43 13.113 0.700 16.140 1.00 11.51 H new ATOM 694 N LYS A 44 9.534 0.992 16.402 1.00 62.41 N ATOM 695 CA LYS A 44 8.393 0.369 15.722 1.00 34.30 C ATOM 696 C LYS A 44 8.453 0.614 14.209 1.00 23.22 C ATOM 697 O LYS A 44 8.401 1.757 13.753 1.00 62.32 O ATOM 698 CB LYS A 44 7.075 0.921 16.282 1.00 44.31 C ATOM 699 CG LYS A 44 6.881 0.677 17.776 1.00 72.13 C ATOM 700 CD LYS A 44 6.804 -0.811 18.113 1.00 22.12 C ATOM 701 CE LYS A 44 6.569 -1.028 19.605 1.00 40.22 C ATOM 702 NZ LYS A 44 6.385 -2.461 19.944 1.00 14.13 N ATOM 0 H LYS A 44 9.534 2.012 16.372 1.00 62.41 H new ATOM 0 HA LYS A 44 8.441 -0.705 15.902 1.00 34.30 H new ATOM 0 HB2 LYS A 44 7.033 1.993 16.092 1.00 44.31 H new ATOM 0 HB3 LYS A 44 6.245 0.468 15.740 1.00 44.31 H new ATOM 0 HG2 LYS A 44 7.706 1.130 18.326 1.00 72.13 H new ATOM 0 HG3 LYS A 44 5.967 1.170 18.107 1.00 72.13 H new ATOM 0 HD2 LYS A 44 5.998 -1.274 17.544 1.00 22.12 H new ATOM 0 HD3 LYS A 44 7.729 -1.303 17.813 1.00 22.12 H new ATOM 0 HE2 LYS A 44 7.415 -0.630 20.165 1.00 40.22 H new ATOM 0 HE3 LYS A 44 5.688 -0.467 19.917 1.00 40.22 H new ATOM 0 HZ1 LYS A 44 6.229 -2.558 20.968 1.00 14.13 H new ATOM 0 HZ2 LYS A 44 5.562 -2.836 19.431 1.00 14.13 H new ATOM 0 HZ3 LYS A 44 7.235 -2.994 19.672 1.00 14.13 H new ATOM 716 N ARG A 45 8.561 -0.464 13.435 1.00 51.32 N ATOM 717 CA ARG A 45 8.598 -0.363 11.973 1.00 55.11 C ATOM 718 C ARG A 45 7.896 -1.558 11.312 1.00 74.05 C ATOM 719 O ARG A 45 8.347 -2.701 11.416 1.00 62.34 O ATOM 720 CB ARG A 45 10.047 -0.258 11.475 1.00 42.22 C ATOM 721 CG ARG A 45 10.177 -0.210 9.952 1.00 53.11 C ATOM 722 CD ARG A 45 11.615 0.050 9.515 1.00 63.51 C ATOM 723 NE ARG A 45 12.091 1.365 9.950 1.00 70.22 N ATOM 724 CZ ARG A 45 13.165 1.564 10.664 1.00 31.01 C ATOM 725 NH1 ARG A 45 13.906 0.572 11.042 1.00 10.42 N ATOM 726 NH2 ARG A 45 13.496 2.765 11.001 1.00 20.41 N ATOM 0 H ARG A 45 8.624 -1.417 13.793 1.00 51.32 H new ATOM 0 HA ARG A 45 8.062 0.543 11.691 1.00 55.11 H new ATOM 0 HB2 ARG A 45 10.502 0.638 11.897 1.00 42.22 H new ATOM 0 HB3 ARG A 45 10.613 -1.110 11.851 1.00 42.22 H new ATOM 0 HG2 ARG A 45 9.833 -1.153 9.528 1.00 53.11 H new ATOM 0 HG3 ARG A 45 9.530 0.572 9.556 1.00 53.11 H new ATOM 0 HD2 ARG A 45 12.264 -0.724 9.924 1.00 63.51 H new ATOM 0 HD3 ARG A 45 11.682 -0.019 8.429 1.00 63.51 H new ATOM 0 HE ARG A 45 11.545 2.182 9.676 1.00 70.22 H new ATOM 0 HH11 ARG A 45 13.653 -0.381 10.782 1.00 10.42 H new ATOM 0 HH12 ARG A 45 14.743 0.744 11.600 1.00 10.42 H new ATOM 0 HH21 ARG A 45 12.919 3.554 10.709 1.00 20.41 H new ATOM 0 HH22 ARG A 45 14.335 2.925 11.559 1.00 20.41 H new ATOM 740 N PHE A 46 6.783 -1.282 10.643 1.00 42.33 N ATOM 741 CA PHE A 46 6.024 -2.305 9.920 1.00 51.13 C ATOM 742 C PHE A 46 6.030 -2.010 8.414 1.00 1.11 C ATOM 743 O PHE A 46 5.938 -0.854 8.003 1.00 54.40 O ATOM 744 CB PHE A 46 4.578 -2.346 10.433 1.00 75.12 C ATOM 745 CG PHE A 46 4.460 -2.620 11.913 1.00 72.13 C ATOM 746 CD1 PHE A 46 4.575 -1.589 12.836 1.00 62.31 C ATOM 747 CD2 PHE A 46 4.238 -3.907 12.382 1.00 61.13 C ATOM 748 CE1 PHE A 46 4.466 -1.838 14.191 1.00 31.25 C ATOM 749 CE2 PHE A 46 4.129 -4.159 13.736 1.00 32.41 C ATOM 750 CZ PHE A 46 4.244 -3.126 14.643 1.00 5.42 C ATOM 0 H PHE A 46 6.379 -0.347 10.584 1.00 42.33 H new ATOM 0 HA PHE A 46 6.495 -3.273 10.092 1.00 51.13 H new ATOM 0 HB2 PHE A 46 4.097 -1.393 10.211 1.00 75.12 H new ATOM 0 HB3 PHE A 46 4.031 -3.114 9.887 1.00 75.12 H new ATOM 0 HD1 PHE A 46 4.752 -0.581 12.491 1.00 62.31 H new ATOM 0 HD2 PHE A 46 4.149 -4.722 11.679 1.00 61.13 H new ATOM 0 HE1 PHE A 46 4.554 -1.026 14.898 1.00 31.25 H new ATOM 0 HE2 PHE A 46 3.954 -5.166 14.085 1.00 32.41 H new ATOM 0 HZ PHE A 46 4.161 -3.322 15.702 1.00 5.42 H new ATOM 760 N VAL A 47 6.146 -3.050 7.594 1.00 73.21 N ATOM 761 CA VAL A 47 6.143 -2.889 6.135 1.00 32.40 C ATOM 762 C VAL A 47 5.000 -3.688 5.498 1.00 5.43 C ATOM 763 O VAL A 47 4.927 -4.907 5.654 1.00 32.33 O ATOM 764 CB VAL A 47 7.488 -3.341 5.511 1.00 42.12 C ATOM 765 CG1 VAL A 47 7.496 -3.101 4.002 1.00 42.05 C ATOM 766 CG2 VAL A 47 8.666 -2.633 6.186 1.00 13.43 C ATOM 0 H VAL A 47 6.243 -4.015 7.910 1.00 73.21 H new ATOM 0 HA VAL A 47 6.000 -1.828 5.933 1.00 32.40 H new ATOM 0 HB VAL A 47 7.598 -4.412 5.681 1.00 42.12 H new ATOM 0 HG11 VAL A 47 8.450 -3.426 3.587 1.00 42.05 H new ATOM 0 HG12 VAL A 47 6.687 -3.667 3.539 1.00 42.05 H new ATOM 0 HG13 VAL A 47 7.356 -2.039 3.802 1.00 42.05 H new ATOM 0 HG21 VAL A 47 9.599 -2.966 5.732 1.00 13.43 H new ATOM 0 HG22 VAL A 47 8.564 -1.555 6.058 1.00 13.43 H new ATOM 0 HG23 VAL A 47 8.674 -2.873 7.249 1.00 13.43 H new ATOM 776 N MET A 48 4.114 -2.996 4.783 1.00 70.44 N ATOM 777 CA MET A 48 2.945 -3.627 4.150 1.00 50.24 C ATOM 778 C MET A 48 3.058 -3.574 2.615 1.00 15.10 C ATOM 779 O MET A 48 3.644 -2.639 2.064 1.00 33.33 O ATOM 780 CB MET A 48 1.665 -2.907 4.603 1.00 71.03 C ATOM 781 CG MET A 48 1.515 -2.815 6.118 1.00 1.40 C ATOM 782 SD MET A 48 1.200 -4.409 6.898 1.00 21.23 S ATOM 783 CE MET A 48 -0.481 -4.717 6.369 1.00 1.34 C ATOM 0 H MET A 48 4.180 -1.991 4.624 1.00 70.44 H new ATOM 0 HA MET A 48 2.906 -4.673 4.455 1.00 50.24 H new ATOM 0 HB2 MET A 48 1.658 -1.901 4.185 1.00 71.03 H new ATOM 0 HB3 MET A 48 0.801 -3.429 4.193 1.00 71.03 H new ATOM 0 HG2 MET A 48 2.422 -2.384 6.541 1.00 1.40 H new ATOM 0 HG3 MET A 48 0.698 -2.134 6.355 1.00 1.40 H new ATOM 0 HE1 MET A 48 -0.906 -5.528 6.960 1.00 1.34 H new ATOM 0 HE2 MET A 48 -1.077 -3.815 6.509 1.00 1.34 H new ATOM 0 HE3 MET A 48 -0.486 -4.995 5.315 1.00 1.34 H new ATOM 793 N GLU A 49 2.500 -4.573 1.929 1.00 14.30 N ATOM 794 CA GLU A 49 2.547 -4.629 0.458 1.00 23.20 C ATOM 795 C GLU A 49 1.145 -4.537 -0.160 1.00 51.11 C ATOM 796 O GLU A 49 0.181 -5.108 0.361 1.00 14.34 O ATOM 797 CB GLU A 49 3.242 -5.917 -0.014 1.00 11.52 C ATOM 798 CG GLU A 49 3.351 -6.043 -1.534 1.00 34.20 C ATOM 799 CD GLU A 49 4.206 -7.225 -1.973 1.00 35.53 C ATOM 800 OE1 GLU A 49 5.439 -7.054 -2.104 1.00 12.23 O ATOM 801 OE2 GLU A 49 3.650 -8.322 -2.206 1.00 64.34 O ATOM 0 H GLU A 49 2.010 -5.355 2.363 1.00 14.30 H new ATOM 0 HA GLU A 49 3.122 -3.767 0.121 1.00 23.20 H new ATOM 0 HB2 GLU A 49 4.243 -5.956 0.416 1.00 11.52 H new ATOM 0 HB3 GLU A 49 2.694 -6.776 0.373 1.00 11.52 H new ATOM 0 HG2 GLU A 49 2.352 -6.147 -1.957 1.00 34.20 H new ATOM 0 HG3 GLU A 49 3.775 -5.124 -1.940 1.00 34.20 H new ATOM 808 N VAL A 50 1.046 -3.813 -1.278 1.00 75.13 N ATOM 809 CA VAL A 50 -0.215 -3.653 -2.005 1.00 51.43 C ATOM 810 C VAL A 50 -0.061 -3.995 -3.501 1.00 14.33 C ATOM 811 O VAL A 50 0.837 -3.495 -4.178 1.00 52.12 O ATOM 812 CB VAL A 50 -0.782 -2.215 -1.850 1.00 44.13 C ATOM 813 CG1 VAL A 50 0.196 -1.168 -2.388 1.00 41.44 C ATOM 814 CG2 VAL A 50 -2.145 -2.092 -2.534 1.00 44.00 C ATOM 0 H VAL A 50 1.834 -3.324 -1.703 1.00 75.13 H new ATOM 0 HA VAL A 50 -0.920 -4.357 -1.563 1.00 51.43 H new ATOM 0 HB VAL A 50 -0.916 -2.024 -0.785 1.00 44.13 H new ATOM 0 HG11 VAL A 50 -0.232 -0.173 -2.264 1.00 41.44 H new ATOM 0 HG12 VAL A 50 1.135 -1.230 -1.838 1.00 41.44 H new ATOM 0 HG13 VAL A 50 0.382 -1.354 -3.446 1.00 41.44 H new ATOM 0 HG21 VAL A 50 -2.523 -1.077 -2.413 1.00 44.00 H new ATOM 0 HG22 VAL A 50 -2.041 -2.316 -3.596 1.00 44.00 H new ATOM 0 HG23 VAL A 50 -2.844 -2.796 -2.082 1.00 44.00 H new ATOM 824 N GLU A 51 -0.935 -4.866 -4.002 1.00 1.44 N ATOM 825 CA GLU A 51 -0.931 -5.256 -5.420 1.00 45.55 C ATOM 826 C GLU A 51 -1.945 -4.435 -6.235 1.00 35.31 C ATOM 827 O GLU A 51 -3.155 -4.623 -6.106 1.00 72.22 O ATOM 828 CB GLU A 51 -1.251 -6.749 -5.549 1.00 34.40 C ATOM 829 CG GLU A 51 -1.220 -7.281 -6.978 1.00 11.42 C ATOM 830 CD GLU A 51 -1.608 -8.751 -7.064 1.00 22.52 C ATOM 831 OE1 GLU A 51 -1.067 -9.559 -6.283 1.00 75.13 O ATOM 832 OE2 GLU A 51 -2.446 -9.106 -7.921 1.00 64.52 O ATOM 0 H GLU A 51 -1.661 -5.320 -3.447 1.00 1.44 H new ATOM 0 HA GLU A 51 0.063 -5.056 -5.820 1.00 45.55 H new ATOM 0 HB2 GLU A 51 -0.538 -7.314 -4.949 1.00 34.40 H new ATOM 0 HB3 GLU A 51 -2.239 -6.934 -5.127 1.00 34.40 H new ATOM 0 HG2 GLU A 51 -1.899 -6.693 -7.595 1.00 11.42 H new ATOM 0 HG3 GLU A 51 -0.219 -7.148 -7.390 1.00 11.42 H new ATOM 839 N VAL A 52 -1.441 -3.521 -7.064 1.00 13.30 N ATOM 840 CA VAL A 52 -2.292 -2.675 -7.912 1.00 11.22 C ATOM 841 C VAL A 52 -1.990 -2.910 -9.406 1.00 54.11 C ATOM 842 O VAL A 52 -0.844 -2.774 -9.843 1.00 24.43 O ATOM 843 CB VAL A 52 -2.086 -1.177 -7.576 1.00 11.41 C ATOM 844 CG1 VAL A 52 -3.105 -0.298 -8.302 1.00 12.12 C ATOM 845 CG2 VAL A 52 -2.156 -0.952 -6.067 1.00 61.13 C ATOM 0 H VAL A 52 -0.442 -3.344 -7.169 1.00 13.30 H new ATOM 0 HA VAL A 52 -3.328 -2.948 -7.713 1.00 11.22 H new ATOM 0 HB VAL A 52 -1.094 -0.890 -7.924 1.00 11.41 H new ATOM 0 HG11 VAL A 52 -2.933 0.747 -8.045 1.00 12.12 H new ATOM 0 HG12 VAL A 52 -2.997 -0.429 -9.379 1.00 12.12 H new ATOM 0 HG13 VAL A 52 -4.113 -0.585 -8.001 1.00 12.12 H new ATOM 0 HG21 VAL A 52 -2.009 0.106 -5.850 1.00 61.13 H new ATOM 0 HG22 VAL A 52 -3.132 -1.266 -5.697 1.00 61.13 H new ATOM 0 HG23 VAL A 52 -1.377 -1.535 -5.576 1.00 61.13 H new ATOM 855 N ASP A 53 -3.021 -3.273 -10.178 1.00 23.22 N ATOM 856 CA ASP A 53 -2.866 -3.586 -11.612 1.00 13.35 C ATOM 857 C ASP A 53 -1.876 -4.749 -11.845 1.00 15.23 C ATOM 858 O ASP A 53 -1.394 -4.955 -12.964 1.00 60.23 O ATOM 859 CB ASP A 53 -2.409 -2.338 -12.391 1.00 31.15 C ATOM 860 CG ASP A 53 -3.488 -1.269 -12.467 1.00 12.33 C ATOM 861 OD1 ASP A 53 -3.668 -0.529 -11.488 1.00 31.43 O ATOM 862 OD2 ASP A 53 -4.166 -1.169 -13.514 1.00 60.52 O ATOM 0 H ASP A 53 -3.978 -3.359 -9.836 1.00 23.22 H new ATOM 0 HA ASP A 53 -3.842 -3.902 -11.981 1.00 13.35 H new ATOM 0 HB2 ASP A 53 -1.522 -1.921 -11.914 1.00 31.15 H new ATOM 0 HB3 ASP A 53 -2.120 -2.630 -13.401 1.00 31.15 H new ATOM 867 N GLY A 54 -1.602 -5.523 -10.794 1.00 43.15 N ATOM 868 CA GLY A 54 -0.633 -6.616 -10.883 1.00 72.10 C ATOM 869 C GLY A 54 0.736 -6.249 -10.307 1.00 60.21 C ATOM 870 O GLY A 54 1.575 -7.121 -10.069 1.00 71.30 O ATOM 0 H GLY A 54 -2.034 -5.415 -9.877 1.00 43.15 H new ATOM 0 HA2 GLY A 54 -1.023 -7.484 -10.352 1.00 72.10 H new ATOM 0 HA3 GLY A 54 -0.516 -6.906 -11.927 1.00 72.10 H new ATOM 874 N GLN A 55 0.948 -4.958 -10.066 1.00 1.11 N ATOM 875 CA GLN A 55 2.222 -4.445 -9.543 1.00 64.25 C ATOM 876 C GLN A 55 2.199 -4.384 -8.007 1.00 4.03 C ATOM 877 O GLN A 55 1.263 -3.851 -7.417 1.00 21.31 O ATOM 878 CB GLN A 55 2.475 -3.038 -10.108 1.00 24.14 C ATOM 879 CG GLN A 55 2.535 -2.978 -11.633 1.00 15.32 C ATOM 880 CD GLN A 55 2.321 -1.573 -12.178 1.00 65.12 C ATOM 881 OE1 GLN A 55 3.259 -0.799 -12.361 1.00 51.33 O ATOM 882 NE2 GLN A 55 1.074 -1.231 -12.429 1.00 51.01 N ATOM 0 H GLN A 55 0.246 -4.235 -10.226 1.00 1.11 H new ATOM 0 HA GLN A 55 3.021 -5.120 -9.850 1.00 64.25 H new ATOM 0 HB2 GLN A 55 1.686 -2.371 -9.760 1.00 24.14 H new ATOM 0 HB3 GLN A 55 3.414 -2.659 -9.703 1.00 24.14 H new ATOM 0 HG2 GLN A 55 3.503 -3.349 -11.969 1.00 15.32 H new ATOM 0 HG3 GLN A 55 1.778 -3.643 -12.048 1.00 15.32 H new ATOM 0 HE21 GLN A 55 0.320 -1.898 -12.266 1.00 51.01 H new ATOM 0 HE22 GLN A 55 0.863 -0.299 -12.787 1.00 51.01 H new ATOM 891 N LYS A 56 3.232 -4.922 -7.361 1.00 15.51 N ATOM 892 CA LYS A 56 3.291 -4.957 -5.891 1.00 72.42 C ATOM 893 C LYS A 56 4.194 -3.844 -5.326 1.00 73.22 C ATOM 894 O LYS A 56 5.385 -3.781 -5.633 1.00 44.54 O ATOM 895 CB LYS A 56 3.795 -6.327 -5.400 1.00 4.22 C ATOM 896 CG LYS A 56 2.855 -7.500 -5.700 1.00 22.02 C ATOM 897 CD LYS A 56 2.906 -7.935 -7.166 1.00 24.24 C ATOM 898 CE LYS A 56 1.950 -9.091 -7.440 1.00 64.20 C ATOM 899 NZ LYS A 56 2.040 -9.574 -8.843 1.00 70.10 N ATOM 0 H LYS A 56 4.039 -5.339 -7.825 1.00 15.51 H new ATOM 0 HA LYS A 56 2.277 -4.791 -5.527 1.00 72.42 H new ATOM 0 HB2 LYS A 56 4.763 -6.528 -5.859 1.00 4.22 H new ATOM 0 HB3 LYS A 56 3.957 -6.275 -4.323 1.00 4.22 H new ATOM 0 HG2 LYS A 56 3.120 -8.345 -5.065 1.00 22.02 H new ATOM 0 HG3 LYS A 56 1.834 -7.217 -5.444 1.00 22.02 H new ATOM 0 HD2 LYS A 56 2.650 -7.091 -7.806 1.00 24.24 H new ATOM 0 HD3 LYS A 56 3.922 -8.233 -7.423 1.00 24.24 H new ATOM 0 HE2 LYS A 56 2.172 -9.913 -6.760 1.00 64.20 H new ATOM 0 HE3 LYS A 56 0.929 -8.773 -7.232 1.00 64.20 H new ATOM 0 HZ1 LYS A 56 1.315 -10.301 -9.007 1.00 70.10 H new ATOM 0 HZ2 LYS A 56 1.886 -8.778 -9.495 1.00 70.10 H new ATOM 0 HZ3 LYS A 56 2.982 -9.981 -9.010 1.00 70.10 H new ATOM 913 N PHE A 57 3.624 -2.984 -4.483 1.00 53.41 N ATOM 914 CA PHE A 57 4.372 -1.883 -3.852 1.00 4.30 C ATOM 915 C PHE A 57 4.429 -2.058 -2.324 1.00 42.42 C ATOM 916 O PHE A 57 3.465 -2.512 -1.712 1.00 52.12 O ATOM 917 CB PHE A 57 3.717 -0.535 -4.192 1.00 21.42 C ATOM 918 CG PHE A 57 3.560 -0.285 -5.675 1.00 44.31 C ATOM 919 CD1 PHE A 57 4.564 0.340 -6.400 1.00 74.10 C ATOM 920 CD2 PHE A 57 2.405 -0.676 -6.341 1.00 0.43 C ATOM 921 CE1 PHE A 57 4.420 0.568 -7.756 1.00 35.00 C ATOM 922 CE2 PHE A 57 2.260 -0.449 -7.697 1.00 32.05 C ATOM 923 CZ PHE A 57 3.267 0.174 -8.406 1.00 51.44 C ATOM 0 H PHE A 57 2.640 -3.024 -4.216 1.00 53.41 H new ATOM 0 HA PHE A 57 5.390 -1.901 -4.241 1.00 4.30 H new ATOM 0 HB2 PHE A 57 2.735 -0.490 -3.720 1.00 21.42 H new ATOM 0 HB3 PHE A 57 4.315 0.267 -3.760 1.00 21.42 H new ATOM 0 HD1 PHE A 57 5.469 0.652 -5.899 1.00 74.10 H new ATOM 0 HD2 PHE A 57 1.612 -1.163 -5.793 1.00 0.43 H new ATOM 0 HE1 PHE A 57 5.210 1.055 -8.308 1.00 35.00 H new ATOM 0 HE2 PHE A 57 1.357 -0.760 -8.202 1.00 32.05 H new ATOM 0 HZ PHE A 57 3.154 0.353 -9.465 1.00 51.44 H new ATOM 933 N GLN A 58 5.556 -1.695 -1.708 1.00 40.45 N ATOM 934 CA GLN A 58 5.721 -1.825 -0.250 1.00 4.25 C ATOM 935 C GLN A 58 5.942 -0.468 0.440 1.00 22.53 C ATOM 936 O GLN A 58 6.609 0.420 -0.094 1.00 2.01 O ATOM 937 CB GLN A 58 6.887 -2.776 0.077 1.00 63.02 C ATOM 938 CG GLN A 58 6.574 -4.249 -0.180 1.00 43.12 C ATOM 939 CD GLN A 58 7.739 -5.173 0.145 1.00 32.45 C ATOM 940 OE1 GLN A 58 8.572 -4.877 1.001 1.00 44.20 O ATOM 941 NE2 GLN A 58 7.799 -6.310 -0.519 1.00 41.43 N ATOM 0 H GLN A 58 6.368 -1.309 -2.190 1.00 40.45 H new ATOM 0 HA GLN A 58 4.791 -2.241 0.138 1.00 4.25 H new ATOM 0 HB2 GLN A 58 7.754 -2.490 -0.518 1.00 63.02 H new ATOM 0 HB3 GLN A 58 7.163 -2.650 1.124 1.00 63.02 H new ATOM 0 HG2 GLN A 58 5.710 -4.540 0.417 1.00 43.12 H new ATOM 0 HG3 GLN A 58 6.297 -4.378 -1.226 1.00 43.12 H new ATOM 0 HE21 GLN A 58 7.094 -6.527 -1.223 1.00 41.43 H new ATOM 0 HE22 GLN A 58 8.551 -6.973 -0.329 1.00 41.43 H new ATOM 950 N GLY A 59 5.380 -0.330 1.638 1.00 21.25 N ATOM 951 CA GLY A 59 5.534 0.893 2.423 1.00 15.32 C ATOM 952 C GLY A 59 5.822 0.612 3.894 1.00 33.45 C ATOM 953 O GLY A 59 5.311 -0.360 4.454 1.00 31.42 O ATOM 0 H GLY A 59 4.814 -1.050 2.087 1.00 21.25 H new ATOM 0 HA2 GLY A 59 6.345 1.489 2.005 1.00 15.32 H new ATOM 0 HA3 GLY A 59 4.625 1.490 2.342 1.00 15.32 H new ATOM 957 N ALA A 60 6.634 1.462 4.521 1.00 33.33 N ATOM 958 CA ALA A 60 7.039 1.260 5.921 1.00 31.33 C ATOM 959 C ALA A 60 6.541 2.383 6.847 1.00 64.13 C ATOM 960 O ALA A 60 6.767 3.569 6.594 1.00 62.34 O ATOM 961 CB ALA A 60 8.558 1.141 6.013 1.00 35.32 C ATOM 0 H ALA A 60 7.027 2.297 4.087 1.00 33.33 H new ATOM 0 HA ALA A 60 6.574 0.334 6.260 1.00 31.33 H new ATOM 0 HB1 ALA A 60 8.849 0.992 7.053 1.00 35.32 H new ATOM 0 HB2 ALA A 60 8.893 0.292 5.417 1.00 35.32 H new ATOM 0 HB3 ALA A 60 9.018 2.054 5.635 1.00 35.32 H new ATOM 967 N GLY A 61 5.876 1.990 7.933 1.00 43.34 N ATOM 968 CA GLY A 61 5.397 2.945 8.929 1.00 54.42 C ATOM 969 C GLY A 61 5.456 2.388 10.352 1.00 41.44 C ATOM 970 O GLY A 61 5.433 1.172 10.542 1.00 51.01 O ATOM 0 H GLY A 61 5.657 1.016 8.145 1.00 43.34 H new ATOM 0 HA2 GLY A 61 5.996 3.854 8.873 1.00 54.42 H new ATOM 0 HA3 GLY A 61 4.370 3.225 8.694 1.00 54.42 H new ATOM 974 N SER A 62 5.527 3.272 11.354 1.00 23.55 N ATOM 975 CA SER A 62 5.620 2.848 12.771 1.00 44.52 C ATOM 976 C SER A 62 4.385 2.060 13.239 1.00 53.20 C ATOM 977 O SER A 62 4.381 1.489 14.328 1.00 24.45 O ATOM 978 CB SER A 62 5.860 4.055 13.697 1.00 54.13 C ATOM 979 OG SER A 62 7.152 4.607 13.493 1.00 23.43 O ATOM 0 H SER A 62 5.522 4.283 11.219 1.00 23.55 H new ATOM 0 HA SER A 62 6.476 2.176 12.832 1.00 44.52 H new ATOM 0 HB2 SER A 62 5.102 4.816 13.511 1.00 54.13 H new ATOM 0 HB3 SER A 62 5.753 3.746 14.737 1.00 54.13 H new ATOM 0 HG SER A 62 7.820 3.890 13.508 1.00 23.43 H new ATOM 985 N ASN A 63 3.336 2.047 12.424 1.00 61.41 N ATOM 986 CA ASN A 63 2.170 1.193 12.671 1.00 62.10 C ATOM 987 C ASN A 63 1.541 0.754 11.341 1.00 73.11 C ATOM 988 O ASN A 63 1.588 1.489 10.351 1.00 62.24 O ATOM 989 CB ASN A 63 1.155 1.893 13.586 1.00 51.45 C ATOM 990 CG ASN A 63 0.665 3.219 13.042 1.00 52.02 C ATOM 991 OD1 ASN A 63 1.315 4.250 13.198 1.00 44.23 O ATOM 992 ND2 ASN A 63 -0.499 3.212 12.429 1.00 43.23 N ATOM 0 H ASN A 63 3.265 2.619 11.582 1.00 61.41 H new ATOM 0 HA ASN A 63 2.499 0.295 13.195 1.00 62.10 H new ATOM 0 HB2 ASN A 63 0.300 1.234 13.739 1.00 51.45 H new ATOM 0 HB3 ASN A 63 1.610 2.056 14.563 1.00 51.45 H new ATOM 0 HD21 ASN A 63 -0.889 4.081 12.065 1.00 43.23 H new ATOM 0 HD22 ASN A 63 -1.011 2.337 12.317 1.00 43.23 H new ATOM 999 N LYS A 64 0.948 -0.440 11.330 1.00 43.15 N ATOM 1000 CA LYS A 64 0.559 -1.118 10.080 1.00 32.33 C ATOM 1001 C LYS A 64 -0.342 -0.275 9.161 1.00 15.00 C ATOM 1002 O LYS A 64 -0.202 -0.341 7.942 1.00 12.40 O ATOM 1003 CB LYS A 64 -0.096 -2.471 10.388 1.00 42.15 C ATOM 1004 CG LYS A 64 0.883 -3.480 10.982 1.00 60.21 C ATOM 1005 CD LYS A 64 0.232 -4.826 11.278 1.00 33.01 C ATOM 1006 CE LYS A 64 1.251 -5.815 11.834 1.00 44.24 C ATOM 1007 NZ LYS A 64 0.636 -7.117 12.199 1.00 24.10 N ATOM 0 H LYS A 64 0.723 -0.965 12.175 1.00 43.15 H new ATOM 0 HA LYS A 64 1.483 -1.274 9.523 1.00 32.33 H new ATOM 0 HB2 LYS A 64 -0.922 -2.320 11.083 1.00 42.15 H new ATOM 0 HB3 LYS A 64 -0.522 -2.880 9.472 1.00 42.15 H new ATOM 0 HG2 LYS A 64 1.712 -3.626 10.290 1.00 60.21 H new ATOM 0 HG3 LYS A 64 1.303 -3.074 11.902 1.00 60.21 H new ATOM 0 HD2 LYS A 64 -0.579 -4.692 11.994 1.00 33.01 H new ATOM 0 HD3 LYS A 64 -0.211 -5.228 10.367 1.00 33.01 H new ATOM 0 HE2 LYS A 64 2.034 -5.981 11.094 1.00 44.24 H new ATOM 0 HE3 LYS A 64 1.730 -5.383 12.713 1.00 44.24 H new ATOM 0 HZ1 LYS A 64 1.354 -7.730 12.634 1.00 24.10 H new ATOM 0 HZ2 LYS A 64 -0.139 -6.958 12.874 1.00 24.10 H new ATOM 0 HZ3 LYS A 64 0.261 -7.576 11.344 1.00 24.10 H new ATOM 1021 N LYS A 65 -1.256 0.515 9.722 1.00 51.32 N ATOM 1022 CA LYS A 65 -2.128 1.357 8.888 1.00 32.32 C ATOM 1023 C LYS A 65 -1.350 2.508 8.223 1.00 21.45 C ATOM 1024 O LYS A 65 -1.633 2.880 7.085 1.00 4.10 O ATOM 1025 CB LYS A 65 -3.317 1.898 9.691 1.00 74.43 C ATOM 1026 CG LYS A 65 -4.206 0.796 10.265 1.00 2.11 C ATOM 1027 CD LYS A 65 -5.609 1.297 10.597 1.00 50.45 C ATOM 1028 CE LYS A 65 -6.368 1.721 9.342 1.00 11.24 C ATOM 1029 NZ LYS A 65 -7.811 1.959 9.609 1.00 51.15 N ATOM 0 H LYS A 65 -1.415 0.594 10.727 1.00 51.32 H new ATOM 0 HA LYS A 65 -2.517 0.720 8.093 1.00 32.32 H new ATOM 0 HB2 LYS A 65 -2.945 2.517 10.507 1.00 74.43 H new ATOM 0 HB3 LYS A 65 -3.917 2.543 9.049 1.00 74.43 H new ATOM 0 HG2 LYS A 65 -4.275 -0.022 9.548 1.00 2.11 H new ATOM 0 HG3 LYS A 65 -3.744 0.392 11.166 1.00 2.11 H new ATOM 0 HD2 LYS A 65 -6.164 0.512 11.110 1.00 50.45 H new ATOM 0 HD3 LYS A 65 -5.541 2.141 11.284 1.00 50.45 H new ATOM 0 HE2 LYS A 65 -5.921 2.630 8.939 1.00 11.24 H new ATOM 0 HE3 LYS A 65 -6.264 0.949 8.579 1.00 11.24 H new ATOM 0 HZ1 LYS A 65 -8.285 2.244 8.728 1.00 51.15 H new ATOM 0 HZ2 LYS A 65 -8.246 1.086 9.969 1.00 51.15 H new ATOM 0 HZ3 LYS A 65 -7.913 2.714 10.317 1.00 51.15 H new ATOM 1043 N VAL A 66 -0.360 3.061 8.928 1.00 4.42 N ATOM 1044 CA VAL A 66 0.532 4.069 8.337 1.00 24.33 C ATOM 1045 C VAL A 66 1.442 3.422 7.282 1.00 1.31 C ATOM 1046 O VAL A 66 1.756 4.026 6.254 1.00 22.13 O ATOM 1047 CB VAL A 66 1.389 4.783 9.418 1.00 12.23 C ATOM 1048 CG1 VAL A 66 2.473 5.658 8.783 1.00 32.33 C ATOM 1049 CG2 VAL A 66 0.498 5.626 10.331 1.00 41.13 C ATOM 0 H VAL A 66 -0.154 2.832 9.901 1.00 4.42 H new ATOM 0 HA VAL A 66 -0.094 4.822 7.858 1.00 24.33 H new ATOM 0 HB VAL A 66 1.883 4.015 10.013 1.00 12.23 H new ATOM 0 HG11 VAL A 66 3.054 6.143 9.567 1.00 32.33 H new ATOM 0 HG12 VAL A 66 3.131 5.038 8.174 1.00 32.33 H new ATOM 0 HG13 VAL A 66 2.006 6.417 8.155 1.00 32.33 H new ATOM 0 HG21 VAL A 66 1.112 6.120 11.083 1.00 41.13 H new ATOM 0 HG22 VAL A 66 -0.024 6.377 9.738 1.00 41.13 H new ATOM 0 HG23 VAL A 66 -0.231 4.982 10.823 1.00 41.13 H new ATOM 1059 N ALA A 67 1.847 2.182 7.538 1.00 4.30 N ATOM 1060 CA ALA A 67 2.611 1.401 6.562 1.00 21.33 C ATOM 1061 C ALA A 67 1.777 1.140 5.296 1.00 33.24 C ATOM 1062 O ALA A 67 2.274 1.269 4.177 1.00 64.12 O ATOM 1063 CB ALA A 67 3.071 0.090 7.186 1.00 63.22 C ATOM 0 H ALA A 67 1.660 1.693 8.413 1.00 4.30 H new ATOM 0 HA ALA A 67 3.490 1.975 6.270 1.00 21.33 H new ATOM 0 HB1 ALA A 67 3.638 -0.483 6.452 1.00 63.22 H new ATOM 0 HB2 ALA A 67 3.703 0.300 8.049 1.00 63.22 H new ATOM 0 HB3 ALA A 67 2.202 -0.486 7.504 1.00 63.22 H new ATOM 1069 N LYS A 68 0.503 0.781 5.486 1.00 15.33 N ATOM 1070 CA LYS A 68 -0.444 0.641 4.371 1.00 33.41 C ATOM 1071 C LYS A 68 -0.613 1.974 3.631 1.00 51.03 C ATOM 1072 O LYS A 68 -0.786 2.002 2.412 1.00 22.23 O ATOM 1073 CB LYS A 68 -1.815 0.155 4.872 1.00 52.03 C ATOM 1074 CG LYS A 68 -1.822 -1.282 5.387 1.00 31.14 C ATOM 1075 CD LYS A 68 -3.195 -1.689 5.932 1.00 1.35 C ATOM 1076 CE LYS A 68 -4.281 -1.620 4.861 1.00 1.24 C ATOM 1077 NZ LYS A 68 -5.616 -2.008 5.390 1.00 21.34 N ATOM 0 H LYS A 68 0.102 0.581 6.402 1.00 15.33 H new ATOM 0 HA LYS A 68 -0.036 -0.100 3.683 1.00 33.41 H new ATOM 0 HB2 LYS A 68 -2.152 0.816 5.670 1.00 52.03 H new ATOM 0 HB3 LYS A 68 -2.537 0.241 4.060 1.00 52.03 H new ATOM 0 HG2 LYS A 68 -1.537 -1.958 4.581 1.00 31.14 H new ATOM 0 HG3 LYS A 68 -1.074 -1.390 6.172 1.00 31.14 H new ATOM 0 HD2 LYS A 68 -3.141 -2.703 6.328 1.00 1.35 H new ATOM 0 HD3 LYS A 68 -3.463 -1.036 6.762 1.00 1.35 H new ATOM 0 HE2 LYS A 68 -4.331 -0.607 4.461 1.00 1.24 H new ATOM 0 HE3 LYS A 68 -4.015 -2.277 4.033 1.00 1.24 H new ATOM 0 HZ1 LYS A 68 -6.322 -1.947 4.629 1.00 21.34 H new ATOM 0 HZ2 LYS A 68 -5.577 -2.983 5.748 1.00 21.34 H new ATOM 0 HZ3 LYS A 68 -5.883 -1.366 6.163 1.00 21.34 H new ATOM 1091 N ALA A 69 -0.572 3.075 4.381 1.00 4.54 N ATOM 1092 CA ALA A 69 -0.658 4.415 3.799 1.00 53.55 C ATOM 1093 C ALA A 69 0.520 4.694 2.851 1.00 43.54 C ATOM 1094 O ALA A 69 0.326 5.156 1.725 1.00 4.54 O ATOM 1095 CB ALA A 69 -0.720 5.465 4.902 1.00 11.52 C ATOM 0 H ALA A 69 -0.479 3.065 5.397 1.00 4.54 H new ATOM 0 HA ALA A 69 -1.573 4.468 3.210 1.00 53.55 H new ATOM 0 HB1 ALA A 69 -0.784 6.458 4.456 1.00 11.52 H new ATOM 0 HB2 ALA A 69 -1.598 5.289 5.523 1.00 11.52 H new ATOM 0 HB3 ALA A 69 0.178 5.400 5.517 1.00 11.52 H new ATOM 1101 N TYR A 70 1.742 4.412 3.313 1.00 3.43 N ATOM 1102 CA TYR A 70 2.938 4.555 2.472 1.00 32.45 C ATOM 1103 C TYR A 70 2.894 3.599 1.269 1.00 54.23 C ATOM 1104 O TYR A 70 3.224 3.987 0.150 1.00 70.20 O ATOM 1105 CB TYR A 70 4.221 4.316 3.291 1.00 55.54 C ATOM 1106 CG TYR A 70 4.671 5.519 4.100 1.00 75.24 C ATOM 1107 CD1 TYR A 70 5.316 6.587 3.480 1.00 3.23 C ATOM 1108 CD2 TYR A 70 4.460 5.591 5.473 1.00 43.34 C ATOM 1109 CE1 TYR A 70 5.736 7.684 4.202 1.00 12.35 C ATOM 1110 CE2 TYR A 70 4.880 6.688 6.202 1.00 71.12 C ATOM 1111 CZ TYR A 70 5.516 7.733 5.561 1.00 25.04 C ATOM 1112 OH TYR A 70 5.936 8.829 6.281 1.00 33.51 O ATOM 0 H TYR A 70 1.930 4.085 4.260 1.00 3.43 H new ATOM 0 HA TYR A 70 2.950 5.578 2.096 1.00 32.45 H new ATOM 0 HB2 TYR A 70 4.057 3.477 3.967 1.00 55.54 H new ATOM 0 HB3 TYR A 70 5.024 4.026 2.613 1.00 55.54 H new ATOM 0 HD1 TYR A 70 5.490 6.555 2.415 1.00 3.23 H new ATOM 0 HD2 TYR A 70 3.960 4.777 5.977 1.00 43.34 H new ATOM 0 HE1 TYR A 70 6.236 8.502 3.704 1.00 12.35 H new ATOM 0 HE2 TYR A 70 4.712 6.728 7.268 1.00 71.12 H new ATOM 0 HH TYR A 70 5.704 8.708 7.226 1.00 33.51 H new ATOM 1122 N ALA A 71 2.483 2.352 1.506 1.00 43.12 N ATOM 1123 CA ALA A 71 2.349 1.362 0.430 1.00 43.15 C ATOM 1124 C ALA A 71 1.375 1.848 -0.656 1.00 70.23 C ATOM 1125 O ALA A 71 1.686 1.822 -1.849 1.00 4.53 O ATOM 1126 CB ALA A 71 1.888 0.021 0.996 1.00 75.02 C ATOM 0 H ALA A 71 2.237 2.002 2.432 1.00 43.12 H new ATOM 0 HA ALA A 71 3.328 1.232 -0.031 1.00 43.15 H new ATOM 0 HB1 ALA A 71 1.793 -0.702 0.186 1.00 75.02 H new ATOM 0 HB2 ALA A 71 2.619 -0.339 1.720 1.00 75.02 H new ATOM 0 HB3 ALA A 71 0.922 0.146 1.486 1.00 75.02 H new ATOM 1132 N ALA A 72 0.200 2.298 -0.228 1.00 34.54 N ATOM 1133 CA ALA A 72 -0.806 2.842 -1.142 1.00 4.24 C ATOM 1134 C ALA A 72 -0.272 4.062 -1.916 1.00 51.05 C ATOM 1135 O ALA A 72 -0.420 4.147 -3.136 1.00 31.44 O ATOM 1136 CB ALA A 72 -2.069 3.201 -0.370 1.00 4.42 C ATOM 0 H ALA A 72 -0.083 2.298 0.752 1.00 34.54 H new ATOM 0 HA ALA A 72 -1.045 2.074 -1.878 1.00 4.24 H new ATOM 0 HB1 ALA A 72 -2.813 3.605 -1.057 1.00 4.42 H new ATOM 0 HB2 ALA A 72 -2.467 2.308 0.112 1.00 4.42 H new ATOM 0 HB3 ALA A 72 -1.832 3.947 0.388 1.00 4.42 H new ATOM 1142 N LEU A 73 0.353 5.002 -1.204 1.00 43.44 N ATOM 1143 CA LEU A 73 0.961 6.180 -1.838 1.00 23.24 C ATOM 1144 C LEU A 73 2.105 5.783 -2.790 1.00 65.24 C ATOM 1145 O LEU A 73 2.343 6.453 -3.795 1.00 12.51 O ATOM 1146 CB LEU A 73 1.466 7.168 -0.773 1.00 61.32 C ATOM 1147 CG LEU A 73 0.374 8.020 -0.094 1.00 61.23 C ATOM 1148 CD1 LEU A 73 0.974 8.900 1.003 1.00 31.42 C ATOM 1149 CD2 LEU A 73 -0.362 8.875 -1.127 1.00 55.23 C ATOM 0 H LEU A 73 0.453 4.973 -0.189 1.00 43.44 H new ATOM 0 HA LEU A 73 0.189 6.670 -2.432 1.00 23.24 H new ATOM 0 HB2 LEU A 73 1.997 6.607 -0.004 1.00 61.32 H new ATOM 0 HB3 LEU A 73 2.190 7.838 -1.237 1.00 61.32 H new ATOM 0 HG LEU A 73 -0.345 7.344 0.368 1.00 61.23 H new ATOM 0 HD11 LEU A 73 0.185 9.491 1.467 1.00 31.42 H new ATOM 0 HD12 LEU A 73 1.447 8.270 1.757 1.00 31.42 H new ATOM 0 HD13 LEU A 73 1.719 9.566 0.568 1.00 31.42 H new ATOM 0 HD21 LEU A 73 -1.128 9.469 -0.628 1.00 55.23 H new ATOM 0 HD22 LEU A 73 0.347 9.539 -1.621 1.00 55.23 H new ATOM 0 HD23 LEU A 73 -0.830 8.227 -1.868 1.00 55.23 H new ATOM 1161 N ALA A 74 2.802 4.690 -2.476 1.00 75.45 N ATOM 1162 CA ALA A 74 3.848 4.160 -3.360 1.00 22.32 C ATOM 1163 C ALA A 74 3.255 3.728 -4.712 1.00 11.12 C ATOM 1164 O ALA A 74 3.901 3.836 -5.756 1.00 31.34 O ATOM 1165 CB ALA A 74 4.567 2.989 -2.692 1.00 61.32 C ATOM 0 H ALA A 74 2.664 4.154 -1.619 1.00 75.45 H new ATOM 0 HA ALA A 74 4.573 4.953 -3.545 1.00 22.32 H new ATOM 0 HB1 ALA A 74 5.339 2.607 -3.360 1.00 61.32 H new ATOM 0 HB2 ALA A 74 5.025 3.326 -1.762 1.00 61.32 H new ATOM 0 HB3 ALA A 74 3.850 2.197 -2.476 1.00 61.32 H new ATOM 1171 N ALA A 75 2.018 3.234 -4.676 1.00 44.42 N ATOM 1172 CA ALA A 75 1.282 2.874 -5.892 1.00 22.45 C ATOM 1173 C ALA A 75 0.701 4.116 -6.586 1.00 10.55 C ATOM 1174 O ALA A 75 0.808 4.271 -7.802 1.00 21.54 O ATOM 1175 CB ALA A 75 0.171 1.884 -5.557 1.00 0.51 C ATOM 0 H ALA A 75 1.500 3.072 -3.812 1.00 44.42 H new ATOM 0 HA ALA A 75 1.982 2.405 -6.584 1.00 22.45 H new ATOM 0 HB1 ALA A 75 -0.370 1.623 -6.467 1.00 0.51 H new ATOM 0 HB2 ALA A 75 0.605 0.984 -5.122 1.00 0.51 H new ATOM 0 HB3 ALA A 75 -0.517 2.337 -4.843 1.00 0.51 H new ATOM 1181 N LEU A 76 0.095 5.002 -5.798 1.00 34.15 N ATOM 1182 CA LEU A 76 -0.527 6.227 -6.320 1.00 52.00 C ATOM 1183 C LEU A 76 0.490 7.117 -7.056 1.00 44.42 C ATOM 1184 O LEU A 76 0.273 7.494 -8.204 1.00 30.33 O ATOM 1185 CB LEU A 76 -1.200 7.007 -5.179 1.00 65.52 C ATOM 1186 CG LEU A 76 -2.438 6.329 -4.563 1.00 62.40 C ATOM 1187 CD1 LEU A 76 -2.944 7.114 -3.358 1.00 3.14 C ATOM 1188 CD2 LEU A 76 -3.541 6.169 -5.610 1.00 63.32 C ATOM 0 H LEU A 76 0.019 4.897 -4.786 1.00 34.15 H new ATOM 0 HA LEU A 76 -1.285 5.931 -7.046 1.00 52.00 H new ATOM 0 HB2 LEU A 76 -0.466 7.172 -4.390 1.00 65.52 H new ATOM 0 HB3 LEU A 76 -1.491 7.988 -5.554 1.00 65.52 H new ATOM 0 HG LEU A 76 -2.147 5.336 -4.220 1.00 62.40 H new ATOM 0 HD11 LEU A 76 -3.819 6.616 -2.940 1.00 3.14 H new ATOM 0 HD12 LEU A 76 -2.160 7.166 -2.602 1.00 3.14 H new ATOM 0 HD13 LEU A 76 -3.215 8.123 -3.669 1.00 3.14 H new ATOM 0 HD21 LEU A 76 -4.407 5.688 -5.155 1.00 63.32 H new ATOM 0 HD22 LEU A 76 -3.828 7.150 -5.989 1.00 63.32 H new ATOM 0 HD23 LEU A 76 -3.175 5.555 -6.433 1.00 63.32 H new ATOM 1200 N GLU A 77 1.607 7.428 -6.405 1.00 50.21 N ATOM 1201 CA GLU A 77 2.655 8.263 -7.013 1.00 12.52 C ATOM 1202 C GLU A 77 3.267 7.606 -8.266 1.00 15.23 C ATOM 1203 O GLU A 77 3.971 8.257 -9.040 1.00 35.45 O ATOM 1204 CB GLU A 77 3.759 8.551 -5.985 1.00 22.14 C ATOM 1205 CG GLU A 77 3.305 9.406 -4.805 1.00 0.22 C ATOM 1206 CD GLU A 77 2.844 10.794 -5.226 1.00 71.04 C ATOM 1207 OE1 GLU A 77 3.670 11.554 -5.774 1.00 33.44 O ATOM 1208 OE2 GLU A 77 1.664 11.136 -5.000 1.00 4.11 O ATOM 0 H GLU A 77 1.816 7.118 -5.456 1.00 50.21 H new ATOM 0 HA GLU A 77 2.187 9.197 -7.325 1.00 12.52 H new ATOM 0 HB2 GLU A 77 4.144 7.604 -5.607 1.00 22.14 H new ATOM 0 HB3 GLU A 77 4.586 9.054 -6.487 1.00 22.14 H new ATOM 0 HG2 GLU A 77 2.491 8.899 -4.287 1.00 0.22 H new ATOM 0 HG3 GLU A 77 4.125 9.501 -4.094 1.00 0.22 H new ATOM 1215 N LYS A 78 3.000 6.315 -8.454 1.00 25.10 N ATOM 1216 CA LYS A 78 3.543 5.564 -9.590 1.00 73.42 C ATOM 1217 C LYS A 78 2.522 5.492 -10.745 1.00 64.40 C ATOM 1218 O LYS A 78 2.853 5.761 -11.902 1.00 33.21 O ATOM 1219 CB LYS A 78 3.938 4.149 -9.113 1.00 5.14 C ATOM 1220 CG LYS A 78 4.935 3.408 -10.010 1.00 52.24 C ATOM 1221 CD LYS A 78 4.291 2.837 -11.273 1.00 72.11 C ATOM 1222 CE LYS A 78 5.293 2.044 -12.104 1.00 43.22 C ATOM 1223 NZ LYS A 78 4.676 1.477 -13.330 1.00 14.40 N ATOM 0 H LYS A 78 2.409 5.763 -7.833 1.00 25.10 H new ATOM 0 HA LYS A 78 4.426 6.077 -9.971 1.00 73.42 H new ATOM 0 HB2 LYS A 78 4.363 4.227 -8.112 1.00 5.14 H new ATOM 0 HB3 LYS A 78 3.033 3.547 -9.029 1.00 5.14 H new ATOM 0 HG2 LYS A 78 5.737 4.090 -10.294 1.00 52.24 H new ATOM 0 HG3 LYS A 78 5.392 2.597 -9.443 1.00 52.24 H new ATOM 0 HD2 LYS A 78 3.456 2.193 -10.997 1.00 72.11 H new ATOM 0 HD3 LYS A 78 3.882 3.650 -11.873 1.00 72.11 H new ATOM 0 HE2 LYS A 78 6.125 2.691 -12.383 1.00 43.22 H new ATOM 0 HE3 LYS A 78 5.706 1.236 -11.500 1.00 43.22 H new ATOM 0 HZ1 LYS A 78 5.422 1.217 -14.006 1.00 14.40 H new ATOM 0 HZ2 LYS A 78 4.124 0.631 -13.082 1.00 14.40 H new ATOM 0 HZ3 LYS A 78 4.049 2.185 -13.762 1.00 14.40 H new ATOM 1237 N LEU A 79 1.276 5.145 -10.418 1.00 63.24 N ATOM 1238 CA LEU A 79 0.231 4.915 -11.431 1.00 22.00 C ATOM 1239 C LEU A 79 -0.718 6.116 -11.596 1.00 42.12 C ATOM 1240 O LEU A 79 -1.209 6.379 -12.697 1.00 33.45 O ATOM 1241 CB LEU A 79 -0.588 3.670 -11.058 1.00 42.20 C ATOM 1242 CG LEU A 79 0.222 2.372 -10.922 1.00 34.44 C ATOM 1243 CD1 LEU A 79 -0.682 1.207 -10.529 1.00 34.33 C ATOM 1244 CD2 LEU A 79 0.969 2.067 -12.218 1.00 43.24 C ATOM 0 H LEU A 79 0.960 5.015 -9.457 1.00 63.24 H new ATOM 0 HA LEU A 79 0.741 4.769 -12.384 1.00 22.00 H new ATOM 0 HB2 LEU A 79 -1.100 3.861 -10.115 1.00 42.20 H new ATOM 0 HB3 LEU A 79 -1.358 3.521 -11.815 1.00 42.20 H new ATOM 0 HG LEU A 79 0.957 2.510 -10.129 1.00 34.44 H new ATOM 0 HD11 LEU A 79 -0.086 0.299 -10.439 1.00 34.33 H new ATOM 0 HD12 LEU A 79 -1.160 1.424 -9.574 1.00 34.33 H new ATOM 0 HD13 LEU A 79 -1.446 1.065 -11.293 1.00 34.33 H new ATOM 0 HD21 LEU A 79 1.537 1.144 -12.102 1.00 43.24 H new ATOM 0 HD22 LEU A 79 0.253 1.953 -13.032 1.00 43.24 H new ATOM 0 HD23 LEU A 79 1.651 2.886 -12.446 1.00 43.24 H new ATOM 1256 N PHE A 80 -0.971 6.849 -10.512 1.00 2.04 N ATOM 1257 CA PHE A 80 -1.946 7.954 -10.535 1.00 42.25 C ATOM 1258 C PHE A 80 -1.344 9.300 -10.054 1.00 12.45 C ATOM 1259 O PHE A 80 -1.958 9.992 -9.240 1.00 32.13 O ATOM 1260 CB PHE A 80 -3.154 7.591 -9.651 1.00 31.24 C ATOM 1261 CG PHE A 80 -3.801 6.268 -9.998 1.00 53.14 C ATOM 1262 CD1 PHE A 80 -4.624 6.153 -11.110 1.00 72.33 C ATOM 1263 CD2 PHE A 80 -3.593 5.145 -9.208 1.00 3.43 C ATOM 1264 CE1 PHE A 80 -5.224 4.948 -11.426 1.00 3.33 C ATOM 1265 CE2 PHE A 80 -4.190 3.937 -9.521 1.00 25.31 C ATOM 1266 CZ PHE A 80 -5.007 3.840 -10.633 1.00 41.11 C ATOM 0 H PHE A 80 -0.520 6.704 -9.609 1.00 2.04 H new ATOM 0 HA PHE A 80 -2.252 8.090 -11.572 1.00 42.25 H new ATOM 0 HB2 PHE A 80 -2.833 7.564 -8.610 1.00 31.24 H new ATOM 0 HB3 PHE A 80 -3.901 8.381 -9.734 1.00 31.24 H new ATOM 0 HD1 PHE A 80 -4.798 7.016 -11.736 1.00 72.33 H new ATOM 0 HD2 PHE A 80 -2.957 5.216 -8.338 1.00 3.43 H new ATOM 0 HE1 PHE A 80 -5.863 4.874 -12.294 1.00 3.33 H new ATOM 0 HE2 PHE A 80 -4.019 3.071 -8.898 1.00 25.31 H new ATOM 0 HZ PHE A 80 -5.474 2.898 -10.880 1.00 41.11 H new ATOM 1276 N PRO A 81 -0.156 9.720 -10.561 1.00 52.54 N ATOM 1277 CA PRO A 81 0.465 10.985 -10.132 1.00 25.25 C ATOM 1278 C PRO A 81 -0.287 12.219 -10.663 1.00 54.42 C ATOM 1279 O PRO A 81 -0.469 13.206 -9.942 1.00 52.03 O ATOM 1280 CB PRO A 81 1.882 10.904 -10.719 1.00 35.31 C ATOM 1281 CG PRO A 81 1.749 10.018 -11.912 1.00 61.23 C ATOM 1282 CD PRO A 81 0.662 9.025 -11.581 1.00 54.42 C ATOM 0 HA PRO A 81 0.452 11.102 -9.048 1.00 25.25 H new ATOM 0 HB2 PRO A 81 2.252 11.891 -10.998 1.00 35.31 H new ATOM 0 HB3 PRO A 81 2.587 10.492 -9.997 1.00 35.31 H new ATOM 0 HG2 PRO A 81 1.491 10.596 -12.799 1.00 61.23 H new ATOM 0 HG3 PRO A 81 2.689 9.509 -12.126 1.00 61.23 H new ATOM 0 HD2 PRO A 81 0.072 8.771 -12.461 1.00 54.42 H new ATOM 0 HD3 PRO A 81 1.076 8.094 -11.195 1.00 54.42 H new ATOM 1290 N ASP A 82 -0.687 12.164 -11.940 1.00 55.31 N ATOM 1291 CA ASP A 82 -1.511 13.206 -12.576 1.00 35.51 C ATOM 1292 C ASP A 82 -0.724 14.514 -12.843 1.00 31.05 C ATOM 1293 O ASP A 82 -1.051 15.268 -13.761 1.00 54.34 O ATOM 1294 CB ASP A 82 -2.768 13.474 -11.732 1.00 2.00 C ATOM 1295 CG ASP A 82 -3.806 14.298 -12.471 1.00 24.32 C ATOM 1296 OD1 ASP A 82 -4.446 13.757 -13.400 1.00 55.34 O ATOM 1297 OD2 ASP A 82 -3.982 15.488 -12.133 1.00 74.55 O ATOM 0 H ASP A 82 -0.449 11.394 -12.565 1.00 55.31 H new ATOM 0 HA ASP A 82 -1.813 12.830 -13.554 1.00 35.51 H new ATOM 0 HB2 ASP A 82 -3.210 12.523 -11.434 1.00 2.00 H new ATOM 0 HB3 ASP A 82 -2.482 13.993 -10.817 1.00 2.00 H new ATOM 1302 N THR A 83 0.308 14.774 -12.047 1.00 5.42 N ATOM 1303 CA THR A 83 1.170 15.950 -12.237 1.00 32.34 C ATOM 1304 C THR A 83 2.174 15.729 -13.379 1.00 43.11 C ATOM 1305 O THR A 83 2.573 14.595 -13.652 1.00 21.45 O ATOM 1306 CB THR A 83 1.968 16.285 -10.949 1.00 11.33 C ATOM 1307 OG1 THR A 83 2.799 15.172 -10.574 1.00 24.31 O ATOM 1308 CG2 THR A 83 1.033 16.637 -9.798 1.00 63.13 C ATOM 0 H THR A 83 0.574 14.186 -11.257 1.00 5.42 H new ATOM 0 HA THR A 83 0.507 16.780 -12.483 1.00 32.34 H new ATOM 0 HB THR A 83 2.596 17.151 -11.161 1.00 11.33 H new ATOM 0 HG1 THR A 83 3.299 15.396 -9.761 1.00 24.31 H new ATOM 0 HG21 THR A 83 1.621 16.867 -8.909 1.00 63.13 H new ATOM 0 HG22 THR A 83 0.432 17.505 -10.070 1.00 63.13 H new ATOM 0 HG23 THR A 83 0.377 15.792 -9.591 1.00 63.13 H new ATOM 1316 N PRO A 84 2.597 16.807 -14.072 1.00 31.44 N ATOM 1317 CA PRO A 84 3.628 16.714 -15.123 1.00 61.43 C ATOM 1318 C PRO A 84 4.988 16.248 -14.572 1.00 54.11 C ATOM 1319 O PRO A 84 5.300 16.453 -13.394 1.00 4.20 O ATOM 1320 CB PRO A 84 3.727 18.153 -15.665 1.00 23.42 C ATOM 1321 CG PRO A 84 2.465 18.822 -15.224 1.00 13.33 C ATOM 1322 CD PRO A 84 2.101 18.187 -13.911 1.00 0.14 C ATOM 0 HA PRO A 84 3.365 15.979 -15.884 1.00 61.43 H new ATOM 0 HB2 PRO A 84 4.604 18.664 -15.268 1.00 23.42 H new ATOM 0 HB3 PRO A 84 3.818 18.160 -16.751 1.00 23.42 H new ATOM 0 HG2 PRO A 84 2.611 19.896 -15.111 1.00 13.33 H new ATOM 0 HG3 PRO A 84 1.672 18.683 -15.959 1.00 13.33 H new ATOM 0 HD2 PRO A 84 2.576 18.693 -13.071 1.00 0.14 H new ATOM 0 HD3 PRO A 84 1.026 18.213 -13.732 1.00 0.14 H new ATOM 1330 N LEU A 85 5.794 15.621 -15.424 1.00 63.11 N ATOM 1331 CA LEU A 85 7.109 15.119 -15.012 1.00 43.24 C ATOM 1332 C LEU A 85 8.142 16.254 -14.940 1.00 5.24 C ATOM 1333 O LEU A 85 8.663 16.707 -15.963 1.00 54.13 O ATOM 1334 CB LEU A 85 7.600 14.016 -15.968 1.00 75.20 C ATOM 1335 CG LEU A 85 6.801 12.695 -15.943 1.00 34.40 C ATOM 1336 CD1 LEU A 85 5.385 12.887 -16.486 1.00 62.31 C ATOM 1337 CD2 LEU A 85 7.536 11.611 -16.726 1.00 41.14 C ATOM 0 H LEU A 85 5.564 15.447 -16.402 1.00 63.11 H new ATOM 0 HA LEU A 85 6.999 14.693 -14.015 1.00 43.24 H new ATOM 0 HB2 LEU A 85 7.582 14.409 -16.984 1.00 75.20 H new ATOM 0 HB3 LEU A 85 8.640 13.793 -15.730 1.00 75.20 H new ATOM 0 HG LEU A 85 6.715 12.377 -14.904 1.00 34.40 H new ATOM 0 HD11 LEU A 85 4.851 11.937 -16.454 1.00 62.31 H new ATOM 0 HD12 LEU A 85 4.858 13.621 -15.876 1.00 62.31 H new ATOM 0 HD13 LEU A 85 5.435 13.240 -17.516 1.00 62.31 H new ATOM 0 HD21 LEU A 85 6.959 10.687 -16.698 1.00 41.14 H new ATOM 0 HD22 LEU A 85 7.660 11.930 -17.761 1.00 41.14 H new ATOM 0 HD23 LEU A 85 8.516 11.440 -16.279 1.00 41.14 H new ATOM 1349 N ALA A 86 8.410 16.722 -13.726 1.00 12.30 N ATOM 1350 CA ALA A 86 9.407 17.769 -13.494 1.00 60.35 C ATOM 1351 C ALA A 86 10.811 17.176 -13.293 1.00 10.34 C ATOM 1352 O ALA A 86 11.009 15.962 -13.377 1.00 50.44 O ATOM 1353 CB ALA A 86 9.004 18.608 -12.284 1.00 34.44 C ATOM 0 H ALA A 86 7.948 16.392 -12.879 1.00 12.30 H new ATOM 0 HA ALA A 86 9.443 18.406 -14.378 1.00 60.35 H new ATOM 0 HB1 ALA A 86 9.749 19.385 -12.116 1.00 34.44 H new ATOM 0 HB2 ALA A 86 8.034 19.069 -12.468 1.00 34.44 H new ATOM 0 HB3 ALA A 86 8.941 17.969 -11.403 1.00 34.44 H new ATOM 1359 N LEU A 87 11.783 18.042 -13.008 1.00 4.11 N ATOM 1360 CA LEU A 87 13.175 17.616 -12.798 1.00 14.53 C ATOM 1361 C LEU A 87 13.406 17.096 -11.366 1.00 11.35 C ATOM 1362 O LEU A 87 14.546 16.881 -10.947 1.00 70.23 O ATOM 1363 CB LEU A 87 14.127 18.784 -13.095 1.00 0.24 C ATOM 1364 CG LEU A 87 14.006 19.386 -14.504 1.00 2.25 C ATOM 1365 CD1 LEU A 87 14.964 20.561 -14.673 1.00 4.41 C ATOM 1366 CD2 LEU A 87 14.256 18.322 -15.575 1.00 15.11 C ATOM 0 H LEU A 87 11.636 19.047 -12.916 1.00 4.11 H new ATOM 0 HA LEU A 87 13.379 16.793 -13.483 1.00 14.53 H new ATOM 0 HB2 LEU A 87 13.948 19.572 -12.364 1.00 0.24 H new ATOM 0 HB3 LEU A 87 15.152 18.442 -12.950 1.00 0.24 H new ATOM 0 HG LEU A 87 12.988 19.756 -14.628 1.00 2.25 H new ATOM 0 HD11 LEU A 87 14.862 20.972 -15.677 1.00 4.41 H new ATOM 0 HD12 LEU A 87 14.727 21.332 -13.940 1.00 4.41 H new ATOM 0 HD13 LEU A 87 15.988 20.220 -14.523 1.00 4.41 H new ATOM 0 HD21 LEU A 87 14.165 18.772 -16.563 1.00 15.11 H new ATOM 0 HD22 LEU A 87 15.259 17.912 -15.454 1.00 15.11 H new ATOM 0 HD23 LEU A 87 13.523 17.522 -15.472 1.00 15.11 H new ATOM 1378 N ASP A 88 12.316 16.889 -10.628 1.00 32.35 N ATOM 1379 CA ASP A 88 12.380 16.424 -9.241 1.00 62.14 C ATOM 1380 C ASP A 88 11.735 15.035 -9.082 1.00 5.31 C ATOM 1381 O ASP A 88 11.062 14.541 -9.990 1.00 24.13 O ATOM 1382 CB ASP A 88 11.669 17.433 -8.332 1.00 33.31 C ATOM 1383 CG ASP A 88 12.268 18.826 -8.438 1.00 23.23 C ATOM 1384 OD1 ASP A 88 11.879 19.580 -9.351 1.00 73.52 O ATOM 1385 OD2 ASP A 88 13.129 19.173 -7.599 1.00 74.54 O ATOM 0 H ASP A 88 11.367 17.038 -10.972 1.00 32.35 H new ATOM 0 HA ASP A 88 13.429 16.341 -8.957 1.00 62.14 H new ATOM 0 HB2 ASP A 88 10.612 17.473 -8.595 1.00 33.31 H new ATOM 0 HB3 ASP A 88 11.728 17.092 -7.298 1.00 33.31 H new ATOM 1390 N ALA A 89 11.944 14.410 -7.925 1.00 12.53 N ATOM 1391 CA ALA A 89 11.352 13.099 -7.624 1.00 61.45 C ATOM 1392 C ALA A 89 10.910 13.010 -6.156 1.00 31.40 C ATOM 1393 O ALA A 89 11.631 13.438 -5.255 1.00 42.44 O ATOM 1394 CB ALA A 89 12.342 11.985 -7.947 1.00 5.31 C ATOM 0 H ALA A 89 12.521 14.789 -7.174 1.00 12.53 H new ATOM 0 HA ALA A 89 10.467 12.979 -8.249 1.00 61.45 H new ATOM 0 HB1 ALA A 89 11.890 11.019 -7.719 1.00 5.31 H new ATOM 0 HB2 ALA A 89 12.601 12.024 -9.005 1.00 5.31 H new ATOM 0 HB3 ALA A 89 13.243 12.114 -7.348 1.00 5.31 H new ATOM 1400 N ASN A 90 9.734 12.434 -5.916 1.00 64.23 N ATOM 1401 CA ASN A 90 9.185 12.314 -4.555 1.00 32.25 C ATOM 1402 C ASN A 90 9.731 11.069 -3.823 1.00 74.13 C ATOM 1403 O ASN A 90 9.150 10.606 -2.837 1.00 44.31 O ATOM 1404 CB ASN A 90 7.650 12.256 -4.615 1.00 15.12 C ATOM 1405 CG ASN A 90 7.044 13.461 -5.318 1.00 24.32 C ATOM 1406 OD1 ASN A 90 7.608 14.553 -5.314 1.00 11.41 O ATOM 1407 ND2 ASN A 90 5.888 13.280 -5.924 1.00 55.12 N ATOM 0 H ASN A 90 9.137 12.040 -6.644 1.00 64.23 H new ATOM 0 HA ASN A 90 9.498 13.193 -3.991 1.00 32.25 H new ATOM 0 HB2 ASN A 90 7.345 11.347 -5.133 1.00 15.12 H new ATOM 0 HB3 ASN A 90 7.253 12.194 -3.602 1.00 15.12 H new ATOM 0 HD21 ASN A 90 5.438 14.058 -6.407 1.00 55.12 H new ATOM 0 HD22 ASN A 90 5.443 12.362 -5.911 1.00 55.12 H new ATOM 1414 N LYS A 91 10.860 10.544 -4.298 1.00 4.31 N ATOM 1415 CA LYS A 91 11.467 9.334 -3.723 1.00 12.24 C ATOM 1416 C LYS A 91 12.629 9.676 -2.764 1.00 3.43 C ATOM 1417 O LYS A 91 13.752 9.939 -3.245 1.00 37.20 O ATOM 1418 CB LYS A 91 11.963 8.414 -4.853 1.00 13.04 C ATOM 1419 CG LYS A 91 10.862 7.991 -5.823 1.00 10.10 C ATOM 1420 CD LYS A 91 11.381 7.048 -6.906 1.00 75.23 C ATOM 1421 CE LYS A 91 11.955 5.764 -6.316 1.00 32.14 C ATOM 1422 NZ LYS A 91 10.984 5.082 -5.419 1.00 2.54 N ATOM 1423 OXT LYS A 91 12.412 9.674 -1.527 1.00 37.20 O ATOM 0 H LYS A 91 11.379 10.937 -5.084 1.00 4.31 H new ATOM 0 HA LYS A 91 10.703 8.819 -3.141 1.00 12.24 H new ATOM 0 HB2 LYS A 91 12.749 8.926 -5.409 1.00 13.04 H new ATOM 0 HB3 LYS A 91 12.412 7.523 -4.414 1.00 13.04 H new ATOM 0 HG2 LYS A 91 10.061 7.501 -5.270 1.00 10.10 H new ATOM 0 HG3 LYS A 91 10.431 8.877 -6.290 1.00 10.10 H new ATOM 0 HD2 LYS A 91 10.570 6.802 -7.592 1.00 75.23 H new ATOM 0 HD3 LYS A 91 12.150 7.554 -7.490 1.00 75.23 H new ATOM 0 HE2 LYS A 91 12.239 5.089 -7.123 1.00 32.14 H new ATOM 0 HE3 LYS A 91 12.863 5.995 -5.759 1.00 32.14 H new ATOM 0 HZ1 LYS A 91 11.342 4.137 -5.174 1.00 2.54 H new ATOM 0 HZ2 LYS A 91 10.861 5.641 -4.551 1.00 2.54 H new ATOM 0 HZ3 LYS A 91 10.069 4.990 -5.904 1.00 2.54 H new TER 1437 LYS A 91