USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 932 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 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 17 MET CE :methyl 151:sc= -0.233 (180deg=-1.66!) USER MOD Set 1.3: A 113 HIS : no HE2:sc= -0.76 K(o=-0.99,f=-3.8) USER MOD Set 2.1: A 105 THR OG1 : rot 180:sc= -0.0995 USER MOD Set 2.2: A 106 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 37 TYR OH : rot -93:sc= 0.786 USER MOD Set 3.2: A 49 HIS : no HD1:sc= 0.87 K(o=2.3,f=-4.4!) USER MOD Set 3.3: A 77 HIS : no HD1:sc= 0.717 K(o=2.3,f=-4.7!) USER MOD Set 3.4: A 78 MET CE :methyl 167:sc= -0.0161 (180deg=-0.24) USER MOD Set 3.5: A 81 MET CE :methyl 174:sc= -0.0189 (180deg=0) USER MOD Set 4.1: A 25 THR OG1 : rot -5:sc= 0.729 USER MOD Set 4.2: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 4.3: A 98 MET CE :methyl 135:sc= -0.135 (180deg=-0.575) USER MOD Set 5.1: A 1 MET N :NH3+ -116:sc= 0.753 (180deg=-0.234) USER MOD Set 5.2: A 97 TYR OH : rot -127:sc= 0.165 USER MOD Single : A 1 MET CE :methyl 142:sc= -0.0838 (180deg=-2.1) USER MOD Single : A 2 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0122) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.7!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 119:sc= -0.0943 USER MOD Single : A 13 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.68) USER MOD Single : A 15 LYS NZ :NH3+ 175:sc=-0.00251 (180deg=-0.0337) USER MOD Single : A 18 LYS NZ :NH3+ 140:sc= -0.389 (180deg=-2.25!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0619 USER MOD Single : A 31 THR OG1 : rot -30:sc= -0.208 USER MOD Single : A 33 TYR OH : rot 180:sc= 0.385 USER MOD Single : A 36 SER OG : rot -109:sc= 0.325 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -75:sc= 0.19 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 48 HIS : no HE2:sc= 0.105 K(o=0.11,f=-0.64) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.936 K(o=-0.94,f=-2.1!) USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= -0.0138 (180deg=-0.089) USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= -0.385 (180deg=-0.394) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 70 GLN : amide:sc= -0.32 K(o=-0.32,f=-3.9!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.299 USER MOD Single : A 79 LYS NZ :NH3+ -172:sc= -0.0054 (180deg=-0.0679) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -168:sc= -0.0467 (180deg=-0.227) USER MOD Single : A 94 THR OG1 : rot 180:sc=-0.00119 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot -67:sc= 0.92 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0429 USER MOD Single : A 109 LYS NZ :NH3+ 168:sc= -0.059 (180deg=-0.267) USER MOD Single : A 111 LYS NZ :NH3+ -143:sc= -0.0047 (180deg=-0.668) USER MOD Single : A 112 ASN : amide:sc= 0.175 X(o=0.18,f=-0.12) USER MOD Single : A 114 LYS NZ :NH3+ -172:sc= 1.38 (180deg=1.31) USER MOD Single : A 117 THR OG1 : rot -46:sc= 0.752 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.220 16.187 -1.415 1.00 15.10 N ATOM 2 CA MET A 1 -4.214 16.035 -2.892 1.00 54.20 C ATOM 3 C MET A 1 -5.595 15.563 -3.387 1.00 5.43 C ATOM 4 O MET A 1 -6.290 14.817 -2.686 1.00 51.02 O ATOM 5 CB MET A 1 -3.105 15.041 -3.333 1.00 74.35 C ATOM 6 CG MET A 1 -1.681 15.474 -2.966 1.00 4.05 C ATOM 7 SD MET A 1 -0.467 14.179 -3.282 1.00 24.30 S ATOM 8 CE MET A 1 1.059 14.993 -2.801 1.00 22.44 C ATOM 0 H1 MET A 1 -4.066 17.185 -1.168 1.00 15.10 H new ATOM 0 H2 MET A 1 -5.138 15.875 -1.038 1.00 15.10 H new ATOM 0 H3 MET A 1 -3.461 15.607 -1.003 1.00 15.10 H new ATOM 0 HA MET A 1 -4.000 17.005 -3.340 1.00 54.20 H new ATOM 0 HB2 MET A 1 -3.304 14.070 -2.880 1.00 74.35 H new ATOM 0 HB3 MET A 1 -3.163 14.907 -4.413 1.00 74.35 H new ATOM 0 HG2 MET A 1 -1.416 16.364 -3.537 1.00 4.05 H new ATOM 0 HG3 MET A 1 -1.648 15.750 -1.912 1.00 4.05 H new ATOM 0 HE1 MET A 1 1.711 14.277 -2.301 1.00 22.44 H new ATOM 0 HE2 MET A 1 1.559 15.382 -3.688 1.00 22.44 H new ATOM 0 HE3 MET A 1 0.834 15.815 -2.121 1.00 22.44 H new ATOM 20 N LYS A 2 -5.984 16.008 -4.598 1.00 63.44 N ATOM 21 CA LYS A 2 -7.275 15.633 -5.228 1.00 71.55 C ATOM 22 C LYS A 2 -7.068 14.768 -6.495 1.00 50.20 C ATOM 23 O LYS A 2 -5.974 14.743 -7.078 1.00 12.14 O ATOM 24 CB LYS A 2 -8.144 16.911 -5.503 1.00 34.42 C ATOM 25 CG LYS A 2 -7.438 18.127 -6.176 1.00 52.14 C ATOM 26 CD LYS A 2 -7.071 17.914 -7.668 1.00 60.44 C ATOM 27 CE LYS A 2 -6.562 19.200 -8.348 1.00 43.30 C ATOM 28 NZ LYS A 2 -5.402 19.815 -7.637 1.00 13.20 N ATOM 0 H LYS A 2 -5.418 16.635 -5.169 1.00 63.44 H new ATOM 0 HA LYS A 2 -7.828 15.008 -4.527 1.00 71.55 H new ATOM 0 HB2 LYS A 2 -8.984 16.618 -6.133 1.00 34.42 H new ATOM 0 HB3 LYS A 2 -8.560 17.246 -4.553 1.00 34.42 H new ATOM 0 HG2 LYS A 2 -8.088 18.998 -6.096 1.00 52.14 H new ATOM 0 HG3 LYS A 2 -6.529 18.356 -5.620 1.00 52.14 H new ATOM 0 HD2 LYS A 2 -6.305 17.142 -7.742 1.00 60.44 H new ATOM 0 HD3 LYS A 2 -7.946 17.547 -8.204 1.00 60.44 H new ATOM 0 HE2 LYS A 2 -6.273 18.972 -9.374 1.00 43.30 H new ATOM 0 HE3 LYS A 2 -7.375 19.924 -8.399 1.00 43.30 H new ATOM 0 HZ1 LYS A 2 -5.050 20.626 -8.184 1.00 13.20 H new ATOM 0 HZ2 LYS A 2 -5.703 20.137 -6.695 1.00 13.20 H new ATOM 0 HZ3 LYS A 2 -4.644 19.110 -7.536 1.00 13.20 H new ATOM 42 N VAL A 3 -8.132 14.054 -6.901 1.00 33.45 N ATOM 43 CA VAL A 3 -8.118 13.172 -8.092 1.00 13.31 C ATOM 44 C VAL A 3 -7.972 13.985 -9.407 1.00 12.21 C ATOM 45 O VAL A 3 -8.676 14.976 -9.622 1.00 65.35 O ATOM 46 CB VAL A 3 -9.402 12.260 -8.144 1.00 31.41 C ATOM 47 CG1 VAL A 3 -9.365 11.279 -9.348 1.00 12.03 C ATOM 48 CG2 VAL A 3 -9.577 11.492 -6.811 1.00 0.05 C ATOM 0 H VAL A 3 -9.029 14.069 -6.416 1.00 33.45 H new ATOM 0 HA VAL A 3 -7.245 12.526 -8.001 1.00 13.31 H new ATOM 0 HB VAL A 3 -10.264 12.912 -8.285 1.00 31.41 H new ATOM 0 HG11 VAL A 3 -10.268 10.668 -9.348 1.00 12.03 H new ATOM 0 HG12 VAL A 3 -9.310 11.846 -10.278 1.00 12.03 H new ATOM 0 HG13 VAL A 3 -8.491 10.634 -9.265 1.00 12.03 H new ATOM 0 HG21 VAL A 3 -10.469 10.867 -6.865 1.00 0.05 H new ATOM 0 HG22 VAL A 3 -8.704 10.864 -6.636 1.00 0.05 H new ATOM 0 HG23 VAL A 3 -9.682 12.204 -5.992 1.00 0.05 H new ATOM 58 N GLY A 4 -7.041 13.545 -10.265 1.00 5.22 N ATOM 59 CA GLY A 4 -6.701 14.245 -11.510 1.00 60.24 C ATOM 60 C GLY A 4 -5.351 14.965 -11.436 1.00 1.25 C ATOM 61 O GLY A 4 -4.836 15.430 -12.458 1.00 61.32 O ATOM 0 H GLY A 4 -6.502 12.692 -10.114 1.00 5.22 H new ATOM 0 HA2 GLY A 4 -6.681 13.528 -12.331 1.00 60.24 H new ATOM 0 HA3 GLY A 4 -7.482 14.970 -11.739 1.00 60.24 H new ATOM 65 N SER A 5 -4.774 15.048 -10.220 1.00 52.52 N ATOM 66 CA SER A 5 -3.506 15.775 -9.970 1.00 72.34 C ATOM 67 C SER A 5 -2.266 14.934 -10.351 1.00 61.33 C ATOM 68 O SER A 5 -2.239 13.724 -10.136 1.00 33.13 O ATOM 69 CB SER A 5 -3.402 16.177 -8.481 1.00 10.20 C ATOM 70 OG SER A 5 -2.177 16.847 -8.204 1.00 3.24 O ATOM 0 H SER A 5 -5.169 14.616 -9.385 1.00 52.52 H new ATOM 0 HA SER A 5 -3.522 16.664 -10.600 1.00 72.34 H new ATOM 0 HB2 SER A 5 -4.239 16.824 -8.219 1.00 10.20 H new ATOM 0 HB3 SER A 5 -3.480 15.287 -7.857 1.00 10.20 H new ATOM 0 HG SER A 5 -2.144 17.089 -7.255 1.00 3.24 H new ATOM 76 N GLN A 6 -1.222 15.616 -10.857 1.00 44.22 N ATOM 77 CA GLN A 6 0.078 14.999 -11.196 1.00 53.44 C ATOM 78 C GLN A 6 1.041 15.167 -10.004 1.00 33.11 C ATOM 79 O GLN A 6 1.388 16.293 -9.615 1.00 21.24 O ATOM 80 CB GLN A 6 0.668 15.622 -12.494 1.00 30.23 C ATOM 81 CG GLN A 6 -0.133 15.292 -13.770 1.00 62.23 C ATOM 82 CD GLN A 6 0.466 15.900 -15.043 1.00 73.20 C ATOM 83 OE1 GLN A 6 0.121 17.007 -15.445 1.00 60.12 O ATOM 84 NE2 GLN A 6 1.391 15.194 -15.670 1.00 0.52 N ATOM 0 H GLN A 6 -1.255 16.618 -11.044 1.00 44.22 H new ATOM 0 HA GLN A 6 -0.065 13.936 -11.389 1.00 53.44 H new ATOM 0 HB2 GLN A 6 0.714 16.705 -12.376 1.00 30.23 H new ATOM 0 HB3 GLN A 6 1.692 15.271 -12.620 1.00 30.23 H new ATOM 0 HG2 GLN A 6 -0.188 14.209 -13.885 1.00 62.23 H new ATOM 0 HG3 GLN A 6 -1.155 15.652 -13.651 1.00 62.23 H new ATOM 0 HE21 GLN A 6 1.660 14.276 -15.315 1.00 0.52 H new ATOM 0 HE22 GLN A 6 1.836 15.567 -16.509 1.00 0.52 H new ATOM 93 N VAL A 7 1.445 14.030 -9.426 1.00 31.31 N ATOM 94 CA VAL A 7 2.269 13.970 -8.202 1.00 1.00 C ATOM 95 C VAL A 7 3.578 13.191 -8.463 1.00 53.21 C ATOM 96 O VAL A 7 3.646 12.345 -9.352 1.00 73.44 O ATOM 97 CB VAL A 7 1.471 13.309 -7.005 1.00 51.15 C ATOM 98 CG1 VAL A 7 0.227 14.156 -6.632 1.00 23.34 C ATOM 99 CG2 VAL A 7 1.069 11.837 -7.311 1.00 75.11 C ATOM 0 H VAL A 7 1.208 13.110 -9.797 1.00 31.31 H new ATOM 0 HA VAL A 7 2.519 14.993 -7.921 1.00 1.00 H new ATOM 0 HB VAL A 7 2.142 13.287 -6.146 1.00 51.15 H new ATOM 0 HG11 VAL A 7 -0.303 13.680 -5.807 1.00 23.34 H new ATOM 0 HG12 VAL A 7 0.544 15.155 -6.331 1.00 23.34 H new ATOM 0 HG13 VAL A 7 -0.435 14.230 -7.495 1.00 23.34 H new ATOM 0 HG21 VAL A 7 0.524 11.425 -6.462 1.00 75.11 H new ATOM 0 HG22 VAL A 7 0.435 11.810 -8.197 1.00 75.11 H new ATOM 0 HG23 VAL A 7 1.966 11.244 -7.489 1.00 75.11 H new ATOM 109 N ILE A 8 4.621 13.504 -7.688 1.00 55.42 N ATOM 110 CA ILE A 8 5.926 12.802 -7.757 1.00 13.21 C ATOM 111 C ILE A 8 6.014 11.775 -6.608 1.00 12.15 C ATOM 112 O ILE A 8 5.670 12.091 -5.483 1.00 24.31 O ATOM 113 CB ILE A 8 7.130 13.818 -7.652 1.00 45.04 C ATOM 114 CG1 ILE A 8 6.930 15.025 -8.629 1.00 23.22 C ATOM 115 CG2 ILE A 8 8.495 13.114 -7.900 1.00 54.00 C ATOM 116 CD1 ILE A 8 6.792 14.654 -10.102 1.00 2.24 C ATOM 0 H ILE A 8 4.594 14.249 -6.992 1.00 55.42 H new ATOM 0 HA ILE A 8 5.994 12.295 -8.720 1.00 13.21 H new ATOM 0 HB ILE A 8 7.145 14.207 -6.634 1.00 45.04 H new ATOM 0 HG12 ILE A 8 6.039 15.574 -8.324 1.00 23.22 H new ATOM 0 HG13 ILE A 8 7.776 15.704 -8.520 1.00 23.22 H new ATOM 0 HG21 ILE A 8 9.301 13.844 -7.820 1.00 54.00 H new ATOM 0 HG22 ILE A 8 8.640 12.330 -7.157 1.00 54.00 H new ATOM 0 HG23 ILE A 8 8.502 12.674 -8.897 1.00 54.00 H new ATOM 0 HD11 ILE A 8 6.658 15.559 -10.694 1.00 2.24 H new ATOM 0 HD12 ILE A 8 7.692 14.134 -10.432 1.00 2.24 H new ATOM 0 HD13 ILE A 8 5.928 14.003 -10.234 1.00 2.24 H new ATOM 128 N ILE A 9 6.465 10.551 -6.891 1.00 13.25 N ATOM 129 CA ILE A 9 6.597 9.492 -5.864 1.00 0.42 C ATOM 130 C ILE A 9 7.878 9.732 -5.027 1.00 32.32 C ATOM 131 O ILE A 9 8.997 9.476 -5.490 1.00 74.42 O ATOM 132 CB ILE A 9 6.601 8.078 -6.537 1.00 24.24 C ATOM 133 CG1 ILE A 9 5.324 7.920 -7.432 1.00 52.13 C ATOM 134 CG2 ILE A 9 6.697 6.944 -5.480 1.00 33.12 C ATOM 135 CD1 ILE A 9 5.285 6.674 -8.287 1.00 20.00 C ATOM 0 H ILE A 9 6.749 10.259 -7.826 1.00 13.25 H new ATOM 0 HA ILE A 9 5.741 9.530 -5.190 1.00 0.42 H new ATOM 0 HB ILE A 9 7.486 7.994 -7.168 1.00 24.24 H new ATOM 0 HG12 ILE A 9 4.445 7.926 -6.787 1.00 52.13 H new ATOM 0 HG13 ILE A 9 5.247 8.790 -8.084 1.00 52.13 H new ATOM 0 HG21 ILE A 9 6.697 5.977 -5.983 1.00 33.12 H new ATOM 0 HG22 ILE A 9 7.618 7.056 -4.909 1.00 33.12 H new ATOM 0 HG23 ILE A 9 5.843 7.002 -4.806 1.00 33.12 H new ATOM 0 HD11 ILE A 9 4.362 6.660 -8.867 1.00 20.00 H new ATOM 0 HD12 ILE A 9 6.139 6.670 -8.964 1.00 20.00 H new ATOM 0 HD13 ILE A 9 5.325 5.792 -7.647 1.00 20.00 H new ATOM 147 N ASN A 10 7.691 10.239 -3.793 1.00 40.31 N ATOM 148 CA ASN A 10 8.796 10.760 -2.954 1.00 0.02 C ATOM 149 C ASN A 10 9.595 9.603 -2.286 1.00 63.12 C ATOM 150 O ASN A 10 10.806 9.719 -2.076 1.00 4.20 O ATOM 151 CB ASN A 10 8.219 11.752 -1.902 1.00 63.41 C ATOM 152 CG ASN A 10 9.276 12.690 -1.307 1.00 2.12 C ATOM 153 OD1 ASN A 10 9.561 13.749 -1.859 1.00 21.13 O ATOM 154 ND2 ASN A 10 9.848 12.327 -0.180 1.00 50.12 N ATOM 0 H ASN A 10 6.775 10.300 -3.348 1.00 40.31 H new ATOM 0 HA ASN A 10 9.503 11.297 -3.586 1.00 0.02 H new ATOM 0 HB2 ASN A 10 7.435 12.349 -2.368 1.00 63.41 H new ATOM 0 HB3 ASN A 10 7.752 11.185 -1.097 1.00 63.41 H new ATOM 0 HD21 ASN A 10 10.546 12.930 0.255 1.00 50.12 H new ATOM 0 HD22 ASN A 10 9.594 11.442 0.259 1.00 50.12 H new ATOM 161 N THR A 11 8.900 8.491 -1.954 1.00 54.54 N ATOM 162 CA THR A 11 9.551 7.212 -1.546 1.00 33.22 C ATOM 163 C THR A 11 8.738 6.016 -2.069 1.00 63.01 C ATOM 164 O THR A 11 7.571 6.167 -2.448 1.00 52.33 O ATOM 165 CB THR A 11 9.766 7.076 0.014 1.00 14.41 C ATOM 166 OG1 THR A 11 10.851 6.170 0.271 1.00 24.12 O ATOM 167 CG2 THR A 11 8.526 6.574 0.779 1.00 11.24 C ATOM 0 H THR A 11 7.881 8.448 -1.959 1.00 54.54 H new ATOM 0 HA THR A 11 10.545 7.220 -1.994 1.00 33.22 H new ATOM 0 HB THR A 11 9.980 8.082 0.374 1.00 14.41 H new ATOM 0 HG1 THR A 11 10.986 6.087 1.238 1.00 24.12 H new ATOM 0 HG21 THR A 11 8.756 6.508 1.842 1.00 11.24 H new ATOM 0 HG22 THR A 11 7.700 7.269 0.629 1.00 11.24 H new ATOM 0 HG23 THR A 11 8.243 5.589 0.408 1.00 11.24 H new ATOM 175 N SER A 12 9.350 4.823 -2.054 1.00 25.30 N ATOM 176 CA SER A 12 8.746 3.612 -2.649 1.00 55.44 C ATOM 177 C SER A 12 9.317 2.316 -2.049 1.00 13.43 C ATOM 178 O SER A 12 10.338 2.324 -1.357 1.00 52.13 O ATOM 179 CB SER A 12 9.010 3.606 -4.172 1.00 62.43 C ATOM 180 OG SER A 12 10.390 3.507 -4.446 1.00 41.42 O ATOM 0 H SER A 12 10.267 4.666 -1.635 1.00 25.30 H new ATOM 0 HA SER A 12 7.678 3.643 -2.433 1.00 55.44 H new ATOM 0 HB2 SER A 12 8.483 2.770 -4.633 1.00 62.43 H new ATOM 0 HB3 SER A 12 8.612 4.518 -4.617 1.00 62.43 H new ATOM 0 HG SER A 12 10.564 2.691 -4.961 1.00 41.42 H new ATOM 186 N HIS A 13 8.629 1.201 -2.343 1.00 12.12 N ATOM 187 CA HIS A 13 9.129 -0.165 -2.081 1.00 21.31 C ATOM 188 C HIS A 13 9.891 -0.696 -3.325 1.00 3.20 C ATOM 189 O HIS A 13 10.904 -1.389 -3.198 1.00 14.32 O ATOM 190 CB HIS A 13 7.942 -1.104 -1.720 1.00 35.41 C ATOM 191 CG HIS A 13 7.242 -0.766 -0.418 1.00 50.33 C ATOM 192 ND1 HIS A 13 7.015 -1.725 0.537 1.00 10.32 N ATOM 193 CD2 HIS A 13 6.722 0.416 0.022 1.00 52.32 C ATOM 194 CE1 HIS A 13 6.372 -1.124 1.518 1.00 25.54 C ATOM 195 NE2 HIS A 13 6.171 0.174 1.255 1.00 61.43 N ATOM 0 H HIS A 13 7.704 1.218 -2.772 1.00 12.12 H new ATOM 0 HA HIS A 13 9.819 -0.141 -1.237 1.00 21.31 H new ATOM 0 HB2 HIS A 13 7.212 -1.072 -2.529 1.00 35.41 H new ATOM 0 HB3 HIS A 13 8.310 -2.128 -1.664 1.00 35.41 H new ATOM 0 HD2 HIS A 13 6.741 1.361 -0.500 1.00 52.32 H new ATOM 0 HE1 HIS A 13 6.047 -1.617 2.422 1.00 25.54 H new ATOM 0 HE2 HIS A 13 5.700 0.851 1.855 1.00 61.43 H new ATOM 203 N MET A 14 9.376 -0.352 -4.527 1.00 52.32 N ATOM 204 CA MET A 14 9.978 -0.742 -5.826 1.00 41.55 C ATOM 205 C MET A 14 11.080 0.268 -6.247 1.00 20.12 C ATOM 206 O MET A 14 10.853 1.477 -6.209 1.00 1.33 O ATOM 207 CB MET A 14 8.882 -0.808 -6.936 1.00 2.12 C ATOM 208 CG MET A 14 7.685 -1.721 -6.625 1.00 11.10 C ATOM 209 SD MET A 14 6.663 -1.097 -5.267 1.00 71.03 S ATOM 210 CE MET A 14 5.399 -2.368 -5.145 1.00 70.05 C ATOM 0 H MET A 14 8.528 0.206 -4.626 1.00 52.32 H new ATOM 0 HA MET A 14 10.428 -1.727 -5.705 1.00 41.55 H new ATOM 0 HB2 MET A 14 8.511 0.201 -7.117 1.00 2.12 H new ATOM 0 HB3 MET A 14 9.346 -1.148 -7.862 1.00 2.12 H new ATOM 0 HG2 MET A 14 7.070 -1.824 -7.519 1.00 11.10 H new ATOM 0 HG3 MET A 14 8.049 -2.717 -6.372 1.00 11.10 H new ATOM 0 HE1 MET A 14 4.701 -2.112 -4.348 1.00 70.05 H new ATOM 0 HE2 MET A 14 4.860 -2.437 -6.090 1.00 70.05 H new ATOM 0 HE3 MET A 14 5.867 -3.327 -4.923 1.00 70.05 H new ATOM 220 N LYS A 15 12.256 -0.242 -6.671 1.00 3.23 N ATOM 221 CA LYS A 15 13.400 0.598 -7.138 1.00 22.03 C ATOM 222 C LYS A 15 13.022 1.498 -8.350 1.00 54.12 C ATOM 223 O LYS A 15 13.450 2.654 -8.441 1.00 14.21 O ATOM 224 CB LYS A 15 14.607 -0.316 -7.504 1.00 54.34 C ATOM 225 CG LYS A 15 15.818 0.418 -8.131 1.00 42.35 C ATOM 226 CD LYS A 15 16.988 -0.527 -8.484 1.00 14.33 C ATOM 227 CE LYS A 15 18.120 0.193 -9.247 1.00 12.14 C ATOM 228 NZ LYS A 15 18.652 1.368 -8.505 1.00 50.22 N ATOM 0 H LYS A 15 12.447 -1.243 -6.703 1.00 3.23 H new ATOM 0 HA LYS A 15 13.673 1.264 -6.319 1.00 22.03 H new ATOM 0 HB2 LYS A 15 14.940 -0.830 -6.603 1.00 54.34 H new ATOM 0 HB3 LYS A 15 14.265 -1.082 -8.200 1.00 54.34 H new ATOM 0 HG2 LYS A 15 15.493 0.936 -9.033 1.00 42.35 H new ATOM 0 HG3 LYS A 15 16.172 1.180 -7.436 1.00 42.35 H new ATOM 0 HD2 LYS A 15 17.390 -0.960 -7.568 1.00 14.33 H new ATOM 0 HD3 LYS A 15 16.614 -1.353 -9.090 1.00 14.33 H new ATOM 0 HE2 LYS A 15 18.931 -0.511 -9.436 1.00 12.14 H new ATOM 0 HE3 LYS A 15 17.748 0.519 -10.218 1.00 12.14 H new ATOM 0 HZ1 LYS A 15 19.464 1.765 -9.019 1.00 50.22 H new ATOM 0 HZ2 LYS A 15 17.909 2.091 -8.421 1.00 50.22 H new ATOM 0 HZ3 LYS A 15 18.955 1.071 -7.556 1.00 50.22 H new ATOM 242 N GLY A 16 12.210 0.952 -9.269 1.00 20.24 N ATOM 243 CA GLY A 16 11.757 1.691 -10.458 1.00 71.30 C ATOM 244 C GLY A 16 10.621 2.689 -10.194 1.00 45.23 C ATOM 245 O GLY A 16 10.241 3.441 -11.089 1.00 1.12 O ATOM 0 H GLY A 16 11.853 -0.002 -9.211 1.00 20.24 H new ATOM 0 HA2 GLY A 16 12.605 2.229 -10.880 1.00 71.30 H new ATOM 0 HA3 GLY A 16 11.427 0.975 -11.211 1.00 71.30 H new ATOM 249 N MET A 17 10.065 2.697 -8.971 1.00 70.31 N ATOM 250 CA MET A 17 8.910 3.560 -8.630 1.00 65.13 C ATOM 251 C MET A 17 9.352 4.899 -7.981 1.00 22.54 C ATOM 252 O MET A 17 8.659 5.915 -8.120 1.00 71.45 O ATOM 253 CB MET A 17 7.928 2.781 -7.713 1.00 23.53 C ATOM 254 CG MET A 17 6.568 3.454 -7.534 1.00 41.40 C ATOM 255 SD MET A 17 5.322 2.384 -6.784 1.00 25.14 S ATOM 256 CE MET A 17 5.717 2.485 -5.048 1.00 63.02 C ATOM 0 H MET A 17 10.393 2.117 -8.199 1.00 70.31 H new ATOM 0 HA MET A 17 8.397 3.823 -9.555 1.00 65.13 H new ATOM 0 HB2 MET A 17 7.776 1.784 -8.127 1.00 23.53 H new ATOM 0 HB3 MET A 17 8.388 2.652 -6.733 1.00 23.53 H new ATOM 0 HG2 MET A 17 6.691 4.343 -6.915 1.00 41.40 H new ATOM 0 HG3 MET A 17 6.208 3.790 -8.506 1.00 41.40 H new ATOM 0 HE1 MET A 17 4.811 2.338 -4.460 1.00 63.02 H new ATOM 0 HE2 MET A 17 6.443 1.713 -4.795 1.00 63.02 H new ATOM 0 HE3 MET A 17 6.138 3.466 -4.827 1.00 63.02 H new ATOM 266 N LYS A 18 10.507 4.900 -7.284 1.00 55.51 N ATOM 267 CA LYS A 18 11.044 6.122 -6.625 1.00 41.40 C ATOM 268 C LYS A 18 11.505 7.183 -7.662 1.00 4.51 C ATOM 269 O LYS A 18 12.240 6.875 -8.609 1.00 51.20 O ATOM 270 CB LYS A 18 12.184 5.758 -5.635 1.00 62.43 C ATOM 271 CG LYS A 18 13.380 4.994 -6.246 1.00 71.55 C ATOM 272 CD LYS A 18 14.328 4.357 -5.188 1.00 1.12 C ATOM 273 CE LYS A 18 15.160 5.374 -4.367 1.00 42.42 C ATOM 274 NZ LYS A 18 14.348 6.191 -3.424 1.00 43.20 N ATOM 0 H LYS A 18 11.090 4.072 -7.160 1.00 55.51 H new ATOM 0 HA LYS A 18 10.233 6.573 -6.053 1.00 41.40 H new ATOM 0 HB2 LYS A 18 12.556 6.678 -5.183 1.00 62.43 H new ATOM 0 HB3 LYS A 18 11.763 5.155 -4.830 1.00 62.43 H new ATOM 0 HG2 LYS A 18 13.001 4.208 -6.900 1.00 71.55 H new ATOM 0 HG3 LYS A 18 13.955 5.678 -6.870 1.00 71.55 H new ATOM 0 HD2 LYS A 18 13.732 3.757 -4.500 1.00 1.12 H new ATOM 0 HD3 LYS A 18 15.011 3.676 -5.696 1.00 1.12 H new ATOM 0 HE2 LYS A 18 15.922 4.835 -3.803 1.00 42.42 H new ATOM 0 HE3 LYS A 18 15.683 6.040 -5.053 1.00 42.42 H new ATOM 0 HZ1 LYS A 18 14.866 6.305 -2.529 1.00 43.20 H new ATOM 0 HZ2 LYS A 18 14.168 7.126 -3.842 1.00 43.20 H new ATOM 0 HZ3 LYS A 18 13.443 5.713 -3.241 1.00 43.20 H new ATOM 288 N GLY A 19 11.013 8.421 -7.483 1.00 43.33 N ATOM 289 CA GLY A 19 11.336 9.547 -8.382 1.00 61.24 C ATOM 290 C GLY A 19 10.497 9.577 -9.673 1.00 51.33 C ATOM 291 O GLY A 19 10.676 10.470 -10.511 1.00 64.15 O ATOM 0 H GLY A 19 10.385 8.670 -6.719 1.00 43.33 H new ATOM 0 HA2 GLY A 19 11.189 10.483 -7.843 1.00 61.24 H new ATOM 0 HA3 GLY A 19 12.392 9.495 -8.648 1.00 61.24 H new ATOM 295 N ALA A 20 9.581 8.600 -9.831 1.00 2.41 N ATOM 296 CA ALA A 20 8.660 8.526 -10.990 1.00 44.20 C ATOM 297 C ALA A 20 7.458 9.478 -10.799 1.00 24.01 C ATOM 298 O ALA A 20 7.033 9.724 -9.670 1.00 34.33 O ATOM 299 CB ALA A 20 8.175 7.080 -11.189 1.00 44.13 C ATOM 0 H ALA A 20 9.457 7.840 -9.162 1.00 2.41 H new ATOM 0 HA ALA A 20 9.202 8.841 -11.882 1.00 44.20 H new ATOM 0 HB1 ALA A 20 7.499 7.037 -12.043 1.00 44.13 H new ATOM 0 HB2 ALA A 20 9.031 6.431 -11.371 1.00 44.13 H new ATOM 0 HB3 ALA A 20 7.650 6.746 -10.294 1.00 44.13 H new ATOM 305 N GLU A 21 6.906 10.008 -11.906 1.00 12.23 N ATOM 306 CA GLU A 21 5.748 10.926 -11.848 1.00 44.45 C ATOM 307 C GLU A 21 4.428 10.129 -11.943 1.00 11.14 C ATOM 308 O GLU A 21 4.082 9.596 -13.005 1.00 54.10 O ATOM 309 CB GLU A 21 5.828 11.998 -12.968 1.00 43.11 C ATOM 310 CG GLU A 21 4.679 13.037 -12.950 1.00 54.34 C ATOM 311 CD GLU A 21 4.860 14.146 -13.999 1.00 33.34 C ATOM 312 OE1 GLU A 21 4.430 13.962 -15.162 1.00 50.33 O ATOM 313 OE2 GLU A 21 5.447 15.202 -13.674 1.00 63.42 O ATOM 0 H GLU A 21 7.241 9.818 -12.851 1.00 12.23 H new ATOM 0 HA GLU A 21 5.771 11.446 -10.890 1.00 44.45 H new ATOM 0 HB2 GLU A 21 6.778 12.525 -12.881 1.00 43.11 H new ATOM 0 HB3 GLU A 21 5.830 11.495 -13.935 1.00 43.11 H new ATOM 0 HG2 GLU A 21 3.732 12.527 -13.127 1.00 54.34 H new ATOM 0 HG3 GLU A 21 4.618 13.487 -11.959 1.00 54.34 H new ATOM 320 N ALA A 22 3.728 10.020 -10.802 1.00 5.02 N ATOM 321 CA ALA A 22 2.399 9.391 -10.716 1.00 72.11 C ATOM 322 C ALA A 22 1.264 10.410 -10.976 1.00 44.01 C ATOM 323 O ALA A 22 1.497 11.619 -11.075 1.00 51.44 O ATOM 324 CB ALA A 22 2.227 8.730 -9.341 1.00 24.44 C ATOM 0 H ALA A 22 4.071 10.368 -9.907 1.00 5.02 H new ATOM 0 HA ALA A 22 2.333 8.630 -11.493 1.00 72.11 H new ATOM 0 HB1 ALA A 22 1.243 8.266 -9.281 1.00 24.44 H new ATOM 0 HB2 ALA A 22 2.996 7.970 -9.204 1.00 24.44 H new ATOM 0 HB3 ALA A 22 2.320 9.485 -8.560 1.00 24.44 H new ATOM 330 N THR A 23 0.038 9.896 -11.128 1.00 22.03 N ATOM 331 CA THR A 23 -1.187 10.725 -11.206 1.00 3.23 C ATOM 332 C THR A 23 -2.293 10.075 -10.352 1.00 42.33 C ATOM 333 O THR A 23 -2.498 8.866 -10.423 1.00 52.54 O ATOM 334 CB THR A 23 -1.680 10.886 -12.688 1.00 13.15 C ATOM 335 OG1 THR A 23 -0.594 11.331 -13.517 1.00 13.02 O ATOM 336 CG2 THR A 23 -2.852 11.880 -12.813 1.00 24.30 C ATOM 0 H THR A 23 -0.141 8.894 -11.201 1.00 22.03 H new ATOM 0 HA THR A 23 -0.955 11.720 -10.825 1.00 3.23 H new ATOM 0 HB THR A 23 -2.035 9.909 -13.016 1.00 13.15 H new ATOM 0 HG1 THR A 23 -0.906 11.428 -14.441 1.00 13.02 H new ATOM 0 HG21 THR A 23 -3.155 11.955 -13.857 1.00 24.30 H new ATOM 0 HG22 THR A 23 -3.693 11.528 -12.215 1.00 24.30 H new ATOM 0 HG23 THR A 23 -2.537 12.860 -12.455 1.00 24.30 H new ATOM 344 N VAL A 24 -2.997 10.882 -9.545 1.00 24.41 N ATOM 345 CA VAL A 24 -4.042 10.390 -8.622 1.00 2.03 C ATOM 346 C VAL A 24 -5.317 9.965 -9.405 1.00 52.22 C ATOM 347 O VAL A 24 -6.051 10.810 -9.913 1.00 5.30 O ATOM 348 CB VAL A 24 -4.397 11.488 -7.544 1.00 34.34 C ATOM 349 CG1 VAL A 24 -5.446 10.974 -6.523 1.00 3.55 C ATOM 350 CG2 VAL A 24 -3.120 11.999 -6.823 1.00 23.30 C ATOM 0 H VAL A 24 -2.862 11.892 -9.510 1.00 24.41 H new ATOM 0 HA VAL A 24 -3.650 9.514 -8.105 1.00 2.03 H new ATOM 0 HB VAL A 24 -4.844 12.329 -8.074 1.00 34.34 H new ATOM 0 HG11 VAL A 24 -5.663 11.759 -5.798 1.00 3.55 H new ATOM 0 HG12 VAL A 24 -6.361 10.701 -7.048 1.00 3.55 H new ATOM 0 HG13 VAL A 24 -5.051 10.100 -6.004 1.00 3.55 H new ATOM 0 HG21 VAL A 24 -3.395 12.754 -6.087 1.00 23.30 H new ATOM 0 HG22 VAL A 24 -2.627 11.166 -6.322 1.00 23.30 H new ATOM 0 HG23 VAL A 24 -2.440 12.436 -7.554 1.00 23.30 H new ATOM 360 N THR A 25 -5.544 8.644 -9.532 1.00 3.22 N ATOM 361 CA THR A 25 -6.773 8.081 -10.162 1.00 21.25 C ATOM 362 C THR A 25 -7.871 7.793 -9.116 1.00 13.00 C ATOM 363 O THR A 25 -9.039 7.600 -9.474 1.00 13.03 O ATOM 364 CB THR A 25 -6.477 6.768 -10.966 1.00 4.00 C ATOM 365 OG1 THR A 25 -5.817 5.802 -10.127 1.00 34.52 O ATOM 366 CG2 THR A 25 -5.619 7.042 -12.206 1.00 20.42 C ATOM 0 H THR A 25 -4.890 7.933 -9.205 1.00 3.22 H new ATOM 0 HA THR A 25 -7.129 8.844 -10.855 1.00 21.25 H new ATOM 0 HB THR A 25 -7.436 6.369 -11.297 1.00 4.00 H new ATOM 0 HG1 THR A 25 -5.626 6.203 -9.253 1.00 34.52 H new ATOM 0 HG21 THR A 25 -5.436 6.107 -12.736 1.00 20.42 H new ATOM 0 HG22 THR A 25 -6.142 7.736 -12.864 1.00 20.42 H new ATOM 0 HG23 THR A 25 -4.668 7.478 -11.901 1.00 20.42 H new ATOM 374 N GLY A 26 -7.486 7.762 -7.825 1.00 50.12 N ATOM 375 CA GLY A 26 -8.434 7.544 -6.725 1.00 53.44 C ATOM 376 C GLY A 26 -7.922 8.101 -5.395 1.00 72.30 C ATOM 377 O GLY A 26 -6.717 8.088 -5.139 1.00 44.05 O ATOM 0 H GLY A 26 -6.520 7.886 -7.522 1.00 50.12 H new ATOM 0 HA2 GLY A 26 -9.386 8.015 -6.971 1.00 53.44 H new ATOM 0 HA3 GLY A 26 -8.624 6.476 -6.619 1.00 53.44 H new ATOM 381 N ALA A 27 -8.848 8.595 -4.554 1.00 41.21 N ATOM 382 CA ALA A 27 -8.541 9.115 -3.201 1.00 34.42 C ATOM 383 C ALA A 27 -9.531 8.513 -2.179 1.00 1.14 C ATOM 384 O ALA A 27 -10.749 8.603 -2.355 1.00 32.12 O ATOM 385 CB ALA A 27 -8.595 10.655 -3.190 1.00 31.34 C ATOM 0 H ALA A 27 -9.839 8.647 -4.792 1.00 41.21 H new ATOM 0 HA ALA A 27 -7.530 8.819 -2.921 1.00 34.42 H new ATOM 0 HB1 ALA A 27 -8.367 11.020 -2.189 1.00 31.34 H new ATOM 0 HB2 ALA A 27 -7.864 11.050 -3.895 1.00 31.34 H new ATOM 0 HB3 ALA A 27 -9.593 10.986 -3.478 1.00 31.34 H new ATOM 391 N TYR A 28 -8.994 7.881 -1.118 1.00 4.34 N ATOM 392 CA TYR A 28 -9.789 7.092 -0.143 1.00 42.01 C ATOM 393 C TYR A 28 -9.483 7.540 1.307 1.00 23.44 C ATOM 394 O TYR A 28 -8.318 7.640 1.701 1.00 62.14 O ATOM 395 CB TYR A 28 -9.464 5.577 -0.296 1.00 71.34 C ATOM 396 CG TYR A 28 -9.798 4.964 -1.669 1.00 41.21 C ATOM 397 CD1 TYR A 28 -8.966 5.169 -2.780 1.00 72.44 C ATOM 398 CD2 TYR A 28 -10.932 4.169 -1.857 1.00 22.32 C ATOM 399 CE1 TYR A 28 -9.261 4.616 -4.014 1.00 30.33 C ATOM 400 CE2 TYR A 28 -11.225 3.614 -3.092 1.00 30.22 C ATOM 401 CZ TYR A 28 -10.387 3.836 -4.163 1.00 20.10 C ATOM 402 OH TYR A 28 -10.688 3.289 -5.398 1.00 24.33 O ATOM 0 H TYR A 28 -7.996 7.900 -0.908 1.00 4.34 H new ATOM 0 HA TYR A 28 -10.846 7.263 -0.347 1.00 42.01 H new ATOM 0 HB2 TYR A 28 -8.402 5.429 -0.100 1.00 71.34 H new ATOM 0 HB3 TYR A 28 -10.009 5.027 0.471 1.00 71.34 H new ATOM 0 HD1 TYR A 28 -8.076 5.771 -2.670 1.00 72.44 H new ATOM 0 HD2 TYR A 28 -11.593 3.984 -1.023 1.00 22.32 H new ATOM 0 HE1 TYR A 28 -8.611 4.795 -4.857 1.00 30.33 H new ATOM 0 HE2 TYR A 28 -12.110 3.007 -3.215 1.00 30.22 H new ATOM 0 HH TYR A 28 -11.514 2.765 -5.331 1.00 24.33 H new ATOM 412 N ASP A 29 -10.540 7.798 2.090 1.00 43.32 N ATOM 413 CA ASP A 29 -10.435 8.119 3.529 1.00 34.41 C ATOM 414 C ASP A 29 -10.930 6.919 4.380 1.00 30.32 C ATOM 415 O ASP A 29 -12.072 6.869 4.842 1.00 70.01 O ATOM 416 CB ASP A 29 -11.192 9.443 3.853 1.00 0.43 C ATOM 417 CG ASP A 29 -12.625 9.497 3.286 1.00 0.51 C ATOM 418 OD1 ASP A 29 -12.778 9.749 2.071 1.00 51.22 O ATOM 419 OD2 ASP A 29 -13.596 9.276 4.042 1.00 63.34 O ATOM 0 H ASP A 29 -11.500 7.791 1.745 1.00 43.32 H new ATOM 0 HA ASP A 29 -9.390 8.287 3.789 1.00 34.41 H new ATOM 0 HB2 ASP A 29 -11.235 9.571 4.935 1.00 0.43 H new ATOM 0 HB3 ASP A 29 -10.622 10.283 3.455 1.00 0.43 H new ATOM 424 N THR A 30 -10.047 5.920 4.526 1.00 34.12 N ATOM 425 CA THR A 30 -10.319 4.678 5.291 1.00 64.01 C ATOM 426 C THR A 30 -9.134 4.350 6.225 1.00 51.41 C ATOM 427 O THR A 30 -8.028 4.881 6.045 1.00 50.33 O ATOM 428 CB THR A 30 -10.602 3.470 4.324 1.00 25.54 C ATOM 429 OG1 THR A 30 -10.788 2.248 5.069 1.00 20.12 O ATOM 430 CG2 THR A 30 -9.480 3.275 3.282 1.00 34.35 C ATOM 0 H THR A 30 -9.114 5.945 4.116 1.00 34.12 H new ATOM 0 HA THR A 30 -11.209 4.844 5.898 1.00 64.01 H new ATOM 0 HB THR A 30 -11.519 3.712 3.787 1.00 25.54 H new ATOM 0 HG1 THR A 30 -10.964 1.510 4.449 1.00 20.12 H new ATOM 0 HG21 THR A 30 -9.723 2.429 2.639 1.00 34.35 H new ATOM 0 HG22 THR A 30 -9.386 4.176 2.676 1.00 34.35 H new ATOM 0 HG23 THR A 30 -8.537 3.082 3.794 1.00 34.35 H new ATOM 438 N THR A 31 -9.369 3.482 7.227 1.00 63.31 N ATOM 439 CA THR A 31 -8.323 3.065 8.191 1.00 25.54 C ATOM 440 C THR A 31 -7.217 2.254 7.476 1.00 22.33 C ATOM 441 O THR A 31 -7.485 1.203 6.903 1.00 51.22 O ATOM 442 CB THR A 31 -8.922 2.223 9.370 1.00 43.42 C ATOM 443 OG1 THR A 31 -9.976 2.963 10.005 1.00 71.10 O ATOM 444 CG2 THR A 31 -7.855 1.859 10.429 1.00 42.50 C ATOM 0 H THR A 31 -10.279 3.051 7.394 1.00 63.31 H new ATOM 0 HA THR A 31 -7.889 3.973 8.611 1.00 25.54 H new ATOM 0 HB THR A 31 -9.305 1.296 8.945 1.00 43.42 H new ATOM 0 HG1 THR A 31 -9.794 3.923 9.929 1.00 71.10 H new ATOM 0 HG21 THR A 31 -8.317 1.276 11.226 1.00 42.50 H new ATOM 0 HG22 THR A 31 -7.064 1.272 9.962 1.00 42.50 H new ATOM 0 HG23 THR A 31 -7.431 2.772 10.847 1.00 42.50 H new ATOM 452 N ALA A 32 -5.978 2.758 7.532 1.00 23.41 N ATOM 453 CA ALA A 32 -4.814 2.164 6.848 1.00 71.32 C ATOM 454 C ALA A 32 -3.857 1.539 7.888 1.00 52.31 C ATOM 455 O ALA A 32 -3.812 1.968 9.044 1.00 31.42 O ATOM 456 CB ALA A 32 -4.107 3.235 6.003 1.00 21.35 C ATOM 0 H ALA A 32 -5.749 3.600 8.059 1.00 23.41 H new ATOM 0 HA ALA A 32 -5.145 1.370 6.178 1.00 71.32 H new ATOM 0 HB1 ALA A 32 -3.248 2.792 5.499 1.00 21.35 H new ATOM 0 HB2 ALA A 32 -4.800 3.628 5.260 1.00 21.35 H new ATOM 0 HB3 ALA A 32 -3.771 4.045 6.650 1.00 21.35 H new ATOM 462 N TYR A 33 -3.084 0.529 7.471 1.00 51.32 N ATOM 463 CA TYR A 33 -2.276 -0.307 8.391 1.00 42.22 C ATOM 464 C TYR A 33 -0.834 -0.514 7.873 1.00 21.30 C ATOM 465 O TYR A 33 -0.574 -0.569 6.660 1.00 13.41 O ATOM 466 CB TYR A 33 -2.944 -1.701 8.602 1.00 64.50 C ATOM 467 CG TYR A 33 -4.359 -1.662 9.207 1.00 30.22 C ATOM 468 CD1 TYR A 33 -4.551 -1.473 10.577 1.00 23.23 C ATOM 469 CD2 TYR A 33 -5.496 -1.816 8.407 1.00 23.24 C ATOM 470 CE1 TYR A 33 -5.819 -1.441 11.123 1.00 24.21 C ATOM 471 CE2 TYR A 33 -6.763 -1.785 8.953 1.00 4.14 C ATOM 472 CZ TYR A 33 -6.920 -1.598 10.310 1.00 41.03 C ATOM 473 OH TYR A 33 -8.190 -1.570 10.856 1.00 44.42 O ATOM 0 H TYR A 33 -2.995 0.262 6.491 1.00 51.32 H new ATOM 0 HA TYR A 33 -2.229 0.229 9.339 1.00 42.22 H new ATOM 0 HB2 TYR A 33 -2.990 -2.214 7.641 1.00 64.50 H new ATOM 0 HB3 TYR A 33 -2.304 -2.299 9.251 1.00 64.50 H new ATOM 0 HD1 TYR A 33 -3.693 -1.350 11.221 1.00 23.23 H new ATOM 0 HD2 TYR A 33 -5.380 -1.962 7.343 1.00 23.24 H new ATOM 0 HE1 TYR A 33 -5.947 -1.293 12.185 1.00 24.21 H new ATOM 0 HE2 TYR A 33 -7.629 -1.907 8.319 1.00 4.14 H new ATOM 0 HH TYR A 33 -8.854 -1.695 10.146 1.00 44.42 H new ATOM 483 N VAL A 34 0.089 -0.618 8.835 1.00 64.41 N ATOM 484 CA VAL A 34 1.471 -1.079 8.623 1.00 53.53 C ATOM 485 C VAL A 34 1.539 -2.538 9.133 1.00 72.03 C ATOM 486 O VAL A 34 1.306 -2.771 10.317 1.00 45.12 O ATOM 487 CB VAL A 34 2.487 -0.170 9.418 1.00 34.04 C ATOM 488 CG1 VAL A 34 3.949 -0.624 9.214 1.00 3.51 C ATOM 489 CG2 VAL A 34 2.314 1.323 9.039 1.00 51.24 C ATOM 0 H VAL A 34 -0.106 -0.379 9.807 1.00 64.41 H new ATOM 0 HA VAL A 34 1.742 -1.021 7.569 1.00 53.53 H new ATOM 0 HB VAL A 34 2.257 -0.282 10.477 1.00 34.04 H new ATOM 0 HG11 VAL A 34 4.615 0.029 9.779 1.00 3.51 H new ATOM 0 HG12 VAL A 34 4.064 -1.650 9.564 1.00 3.51 H new ATOM 0 HG13 VAL A 34 4.202 -0.572 8.155 1.00 3.51 H new ATOM 0 HG21 VAL A 34 3.027 1.926 9.602 1.00 51.24 H new ATOM 0 HG22 VAL A 34 2.494 1.451 7.972 1.00 51.24 H new ATOM 0 HG23 VAL A 34 1.300 1.644 9.277 1.00 51.24 H new ATOM 499 N VAL A 35 1.784 -3.520 8.239 1.00 52.22 N ATOM 500 CA VAL A 35 1.734 -4.974 8.597 1.00 61.12 C ATOM 501 C VAL A 35 3.065 -5.705 8.314 1.00 71.35 C ATOM 502 O VAL A 35 3.849 -5.304 7.452 1.00 34.42 O ATOM 503 CB VAL A 35 0.567 -5.725 7.836 1.00 55.21 C ATOM 504 CG1 VAL A 35 -0.819 -5.206 8.288 1.00 11.32 C ATOM 505 CG2 VAL A 35 0.734 -5.617 6.293 1.00 44.01 C ATOM 0 H VAL A 35 2.019 -3.343 7.262 1.00 52.22 H new ATOM 0 HA VAL A 35 1.547 -5.001 9.670 1.00 61.12 H new ATOM 0 HB VAL A 35 0.628 -6.781 8.099 1.00 55.21 H new ATOM 0 HG11 VAL A 35 -1.601 -5.740 7.748 1.00 11.32 H new ATOM 0 HG12 VAL A 35 -0.938 -5.372 9.359 1.00 11.32 H new ATOM 0 HG13 VAL A 35 -0.895 -4.140 8.076 1.00 11.32 H new ATOM 0 HG21 VAL A 35 -0.084 -6.143 5.801 1.00 44.01 H new ATOM 0 HG22 VAL A 35 0.720 -4.568 5.998 1.00 44.01 H new ATOM 0 HG23 VAL A 35 1.683 -6.064 5.998 1.00 44.01 H new ATOM 515 N SER A 36 3.287 -6.801 9.055 1.00 71.10 N ATOM 516 CA SER A 36 4.422 -7.727 8.852 1.00 24.53 C ATOM 517 C SER A 36 3.890 -9.145 8.568 1.00 61.52 C ATOM 518 O SER A 36 3.159 -9.714 9.372 1.00 65.21 O ATOM 519 CB SER A 36 5.342 -7.736 10.096 1.00 5.52 C ATOM 520 OG SER A 36 4.632 -8.071 11.277 1.00 75.04 O ATOM 0 H SER A 36 2.677 -7.077 9.824 1.00 71.10 H new ATOM 0 HA SER A 36 5.007 -7.388 7.997 1.00 24.53 H new ATOM 0 HB2 SER A 36 6.151 -8.450 9.944 1.00 5.52 H new ATOM 0 HB3 SER A 36 5.801 -6.755 10.215 1.00 5.52 H new ATOM 0 HG SER A 36 4.551 -7.277 11.846 1.00 75.04 H new ATOM 526 N TYR A 37 4.304 -9.729 7.442 1.00 1.13 N ATOM 527 CA TYR A 37 3.781 -11.023 6.960 1.00 12.22 C ATOM 528 C TYR A 37 4.898 -11.854 6.322 1.00 51.23 C ATOM 529 O TYR A 37 5.892 -11.314 5.821 1.00 14.44 O ATOM 530 CB TYR A 37 2.614 -10.812 5.944 1.00 53.04 C ATOM 531 CG TYR A 37 2.975 -9.992 4.688 1.00 51.31 C ATOM 532 CD1 TYR A 37 2.865 -8.600 4.683 1.00 21.20 C ATOM 533 CD2 TYR A 37 3.440 -10.608 3.518 1.00 64.03 C ATOM 534 CE1 TYR A 37 3.190 -7.860 3.565 1.00 15.23 C ATOM 535 CE2 TYR A 37 3.771 -9.867 2.397 1.00 73.11 C ATOM 536 CZ TYR A 37 3.649 -8.492 2.428 1.00 3.03 C ATOM 537 OH TYR A 37 3.982 -7.745 1.315 1.00 60.51 O ATOM 0 H TYR A 37 5.013 -9.322 6.832 1.00 1.13 H new ATOM 0 HA TYR A 37 3.391 -11.567 7.820 1.00 12.22 H new ATOM 0 HB2 TYR A 37 2.248 -11.789 5.628 1.00 53.04 H new ATOM 0 HB3 TYR A 37 1.791 -10.315 6.458 1.00 53.04 H new ATOM 0 HD1 TYR A 37 2.519 -8.093 5.571 1.00 21.20 H new ATOM 0 HD2 TYR A 37 3.542 -11.683 3.491 1.00 64.03 H new ATOM 0 HE1 TYR A 37 3.085 -6.785 3.580 1.00 15.23 H new ATOM 0 HE2 TYR A 37 4.123 -10.361 1.503 1.00 73.11 H new ATOM 0 HH TYR A 37 3.207 -7.684 0.718 1.00 60.51 H new ATOM 547 N THR A 38 4.716 -13.175 6.330 1.00 21.44 N ATOM 548 CA THR A 38 5.595 -14.104 5.605 1.00 71.31 C ATOM 549 C THR A 38 4.861 -14.548 4.322 1.00 1.32 C ATOM 550 O THR A 38 3.879 -15.303 4.414 1.00 35.33 O ATOM 551 CB THR A 38 5.989 -15.352 6.465 1.00 4.41 C ATOM 552 OG1 THR A 38 6.580 -14.920 7.704 1.00 50.31 O ATOM 553 CG2 THR A 38 6.976 -16.275 5.716 1.00 33.22 C ATOM 0 H THR A 38 3.959 -13.634 6.836 1.00 21.44 H new ATOM 0 HA THR A 38 6.526 -13.591 5.366 1.00 71.31 H new ATOM 0 HB THR A 38 5.080 -15.921 6.662 1.00 4.41 H new ATOM 0 HG1 THR A 38 6.824 -15.703 8.241 1.00 50.31 H new ATOM 0 HG21 THR A 38 7.225 -17.129 6.346 1.00 33.22 H new ATOM 0 HG22 THR A 38 6.516 -16.627 4.793 1.00 33.22 H new ATOM 0 HG23 THR A 38 7.885 -15.721 5.480 1.00 33.22 H new ATOM 561 N PRO A 39 5.285 -14.060 3.108 1.00 72.04 N ATOM 562 CA PRO A 39 4.631 -14.435 1.831 1.00 23.40 C ATOM 563 C PRO A 39 4.751 -15.963 1.561 1.00 44.13 C ATOM 564 O PRO A 39 5.827 -16.545 1.724 1.00 5.13 O ATOM 565 CB PRO A 39 5.378 -13.577 0.770 1.00 45.40 C ATOM 566 CG PRO A 39 6.690 -13.228 1.405 1.00 0.23 C ATOM 567 CD PRO A 39 6.427 -13.130 2.892 1.00 74.03 C ATOM 0 HA PRO A 39 3.558 -14.244 1.825 1.00 23.40 H new ATOM 0 HB2 PRO A 39 5.524 -14.134 -0.156 1.00 45.40 H new ATOM 0 HB3 PRO A 39 4.811 -12.681 0.517 1.00 45.40 H new ATOM 0 HG2 PRO A 39 7.440 -13.989 1.192 1.00 0.23 H new ATOM 0 HG3 PRO A 39 7.073 -12.285 1.014 1.00 0.23 H new ATOM 0 HD2 PRO A 39 7.300 -13.425 3.474 1.00 74.03 H new ATOM 0 HD3 PRO A 39 6.176 -12.112 3.188 1.00 74.03 H new ATOM 575 N THR A 40 3.628 -16.594 1.162 1.00 15.42 N ATOM 576 CA THR A 40 3.528 -18.071 0.983 1.00 2.44 C ATOM 577 C THR A 40 4.362 -18.609 -0.217 1.00 30.24 C ATOM 578 O THR A 40 4.399 -19.820 -0.451 1.00 54.51 O ATOM 579 CB THR A 40 2.028 -18.511 0.844 1.00 60.25 C ATOM 580 OG1 THR A 40 1.420 -17.854 -0.278 1.00 1.40 O ATOM 581 CG2 THR A 40 1.219 -18.194 2.121 1.00 73.12 C ATOM 0 H THR A 40 2.760 -16.101 0.953 1.00 15.42 H new ATOM 0 HA THR A 40 3.957 -18.514 1.881 1.00 2.44 H new ATOM 0 HB THR A 40 2.018 -19.590 0.691 1.00 60.25 H new ATOM 0 HG1 THR A 40 1.240 -16.918 -0.051 1.00 1.40 H new ATOM 0 HG21 THR A 40 0.186 -18.513 1.986 1.00 73.12 H new ATOM 0 HG22 THR A 40 1.654 -18.724 2.968 1.00 73.12 H new ATOM 0 HG23 THR A 40 1.245 -17.121 2.311 1.00 73.12 H new ATOM 589 N ASN A 41 5.024 -17.702 -0.969 1.00 42.21 N ATOM 590 CA ASN A 41 6.095 -18.068 -1.937 1.00 75.03 C ATOM 591 C ASN A 41 7.332 -18.691 -1.201 1.00 13.13 C ATOM 592 O ASN A 41 8.140 -19.408 -1.802 1.00 75.14 O ATOM 593 CB ASN A 41 6.505 -16.788 -2.718 1.00 63.04 C ATOM 594 CG ASN A 41 7.540 -16.999 -3.828 1.00 3.51 C ATOM 595 OD1 ASN A 41 7.619 -18.059 -4.438 1.00 64.10 O ATOM 596 ND2 ASN A 41 8.331 -15.980 -4.112 1.00 65.21 N ATOM 0 H ASN A 41 4.836 -16.700 -0.927 1.00 42.21 H new ATOM 0 HA ASN A 41 5.721 -18.822 -2.629 1.00 75.03 H new ATOM 0 HB2 ASN A 41 5.610 -16.349 -3.158 1.00 63.04 H new ATOM 0 HB3 ASN A 41 6.901 -16.061 -2.009 1.00 63.04 H new ATOM 0 HD21 ASN A 41 9.027 -16.065 -4.853 1.00 65.21 H new ATOM 0 HD22 ASN A 41 8.246 -15.108 -3.590 1.00 65.21 H new ATOM 603 N GLY A 42 7.443 -18.393 0.110 1.00 44.11 N ATOM 604 CA GLY A 42 8.398 -19.054 1.014 1.00 11.15 C ATOM 605 C GLY A 42 9.827 -18.504 0.960 1.00 72.32 C ATOM 606 O GLY A 42 10.788 -19.251 1.200 1.00 0.40 O ATOM 0 H GLY A 42 6.870 -17.685 0.569 1.00 44.11 H new ATOM 0 HA2 GLY A 42 8.029 -18.966 2.036 1.00 11.15 H new ATOM 0 HA3 GLY A 42 8.425 -20.117 0.776 1.00 11.15 H new ATOM 610 N GLY A 43 9.982 -17.203 0.644 1.00 64.33 N ATOM 611 CA GLY A 43 11.300 -16.550 0.640 1.00 55.44 C ATOM 612 C GLY A 43 11.652 -15.905 1.990 1.00 50.43 C ATOM 613 O GLY A 43 11.909 -16.613 2.973 1.00 51.45 O ATOM 0 H GLY A 43 9.210 -16.587 0.389 1.00 64.33 H new ATOM 0 HA2 GLY A 43 12.063 -17.285 0.384 1.00 55.44 H new ATOM 0 HA3 GLY A 43 11.319 -15.787 -0.138 1.00 55.44 H new ATOM 617 N GLN A 44 11.651 -14.555 2.035 1.00 32.21 N ATOM 618 CA GLN A 44 11.949 -13.766 3.257 1.00 10.05 C ATOM 619 C GLN A 44 10.663 -13.082 3.777 1.00 61.34 C ATOM 620 O GLN A 44 9.838 -12.616 2.981 1.00 62.55 O ATOM 621 CB GLN A 44 13.035 -12.685 2.971 1.00 73.12 C ATOM 622 CG GLN A 44 14.384 -13.238 2.445 1.00 41.53 C ATOM 623 CD GLN A 44 15.478 -12.164 2.301 1.00 43.35 C ATOM 624 OE1 GLN A 44 15.519 -11.191 3.052 1.00 54.42 O ATOM 625 NE2 GLN A 44 16.371 -12.330 1.341 1.00 65.15 N ATOM 0 H GLN A 44 11.443 -13.976 1.222 1.00 32.21 H new ATOM 0 HA GLN A 44 12.329 -14.450 4.016 1.00 10.05 H new ATOM 0 HB2 GLN A 44 12.640 -11.978 2.242 1.00 73.12 H new ATOM 0 HB3 GLN A 44 13.221 -12.126 3.888 1.00 73.12 H new ATOM 0 HG2 GLN A 44 14.737 -14.015 3.123 1.00 41.53 H new ATOM 0 HG3 GLN A 44 14.220 -13.710 1.476 1.00 41.53 H new ATOM 0 HE21 GLN A 44 16.317 -13.145 0.730 1.00 65.15 H new ATOM 0 HE22 GLN A 44 17.114 -11.643 1.211 1.00 65.15 H new ATOM 634 N ARG A 45 10.504 -13.040 5.116 1.00 35.50 N ATOM 635 CA ARG A 45 9.399 -12.311 5.781 1.00 72.44 C ATOM 636 C ARG A 45 9.485 -10.786 5.502 1.00 1.01 C ATOM 637 O ARG A 45 10.510 -10.152 5.777 1.00 62.01 O ATOM 638 CB ARG A 45 9.442 -12.555 7.317 1.00 71.24 C ATOM 639 CG ARG A 45 8.295 -11.875 8.122 1.00 74.34 C ATOM 640 CD ARG A 45 8.578 -11.826 9.639 1.00 0.33 C ATOM 641 NE ARG A 45 9.781 -11.021 9.941 1.00 55.04 N ATOM 642 CZ ARG A 45 10.568 -11.163 10.986 1.00 30.12 C ATOM 643 NH1 ARG A 45 10.354 -12.085 11.873 1.00 34.41 N ATOM 644 NH2 ARG A 45 11.584 -10.380 11.125 1.00 62.42 N ATOM 0 H ARG A 45 11.135 -13.508 5.767 1.00 35.50 H new ATOM 0 HA ARG A 45 8.460 -12.688 5.375 1.00 72.44 H new ATOM 0 HB2 ARG A 45 9.408 -13.629 7.501 1.00 71.24 H new ATOM 0 HB3 ARG A 45 10.397 -12.196 7.700 1.00 71.24 H new ATOM 0 HG2 ARG A 45 8.149 -10.861 7.751 1.00 74.34 H new ATOM 0 HG3 ARG A 45 7.365 -12.415 7.948 1.00 74.34 H new ATOM 0 HD2 ARG A 45 7.717 -11.404 10.157 1.00 0.33 H new ATOM 0 HD3 ARG A 45 8.713 -12.839 10.018 1.00 0.33 H new ATOM 0 HE ARG A 45 10.024 -10.286 9.277 1.00 55.04 H new ATOM 0 HH11 ARG A 45 9.562 -12.719 11.769 1.00 34.41 H new ATOM 0 HH12 ARG A 45 10.978 -12.176 12.675 1.00 34.41 H new ATOM 0 HH21 ARG A 45 11.771 -9.659 10.428 1.00 62.42 H new ATOM 0 HH22 ARG A 45 12.200 -10.482 11.932 1.00 62.42 H new ATOM 658 N VAL A 46 8.399 -10.217 4.962 1.00 25.44 N ATOM 659 CA VAL A 46 8.294 -8.770 4.682 1.00 2.10 C ATOM 660 C VAL A 46 7.703 -8.036 5.908 1.00 12.02 C ATOM 661 O VAL A 46 6.540 -8.241 6.256 1.00 73.42 O ATOM 662 CB VAL A 46 7.403 -8.514 3.411 1.00 34.43 C ATOM 663 CG1 VAL A 46 7.330 -7.005 3.052 1.00 5.41 C ATOM 664 CG2 VAL A 46 7.906 -9.357 2.212 1.00 0.44 C ATOM 0 H VAL A 46 7.564 -10.744 4.705 1.00 25.44 H new ATOM 0 HA VAL A 46 9.293 -8.381 4.483 1.00 2.10 H new ATOM 0 HB VAL A 46 6.388 -8.833 3.648 1.00 34.43 H new ATOM 0 HG11 VAL A 46 6.705 -6.871 2.169 1.00 5.41 H new ATOM 0 HG12 VAL A 46 6.900 -6.453 3.888 1.00 5.41 H new ATOM 0 HG13 VAL A 46 8.333 -6.631 2.847 1.00 5.41 H new ATOM 0 HG21 VAL A 46 7.276 -9.166 1.343 1.00 0.44 H new ATOM 0 HG22 VAL A 46 8.936 -9.084 1.981 1.00 0.44 H new ATOM 0 HG23 VAL A 46 7.860 -10.416 2.467 1.00 0.44 H new ATOM 674 N ASP A 47 8.511 -7.174 6.547 1.00 71.30 N ATOM 675 CA ASP A 47 8.109 -6.450 7.778 1.00 1.45 C ATOM 676 C ASP A 47 7.817 -4.965 7.475 1.00 45.10 C ATOM 677 O ASP A 47 8.398 -4.391 6.542 1.00 20.42 O ATOM 678 CB ASP A 47 9.200 -6.574 8.878 1.00 71.21 C ATOM 679 CG ASP A 47 10.572 -6.023 8.444 1.00 12.20 C ATOM 680 OD1 ASP A 47 11.292 -6.726 7.707 1.00 44.44 O ATOM 681 OD2 ASP A 47 10.933 -4.891 8.835 1.00 74.35 O ATOM 0 H ASP A 47 9.456 -6.956 6.232 1.00 71.30 H new ATOM 0 HA ASP A 47 7.194 -6.911 8.150 1.00 1.45 H new ATOM 0 HB2 ASP A 47 8.869 -6.042 9.770 1.00 71.21 H new ATOM 0 HB3 ASP A 47 9.309 -7.623 9.155 1.00 71.21 H new ATOM 686 N HIS A 48 6.918 -4.361 8.283 1.00 25.34 N ATOM 687 CA HIS A 48 6.569 -2.915 8.214 1.00 24.52 C ATOM 688 C HIS A 48 6.084 -2.467 6.799 1.00 5.55 C ATOM 689 O HIS A 48 6.231 -1.299 6.410 1.00 62.11 O ATOM 690 CB HIS A 48 7.772 -2.060 8.720 1.00 2.44 C ATOM 691 CG HIS A 48 8.235 -2.443 10.108 1.00 54.11 C ATOM 692 ND1 HIS A 48 9.512 -2.873 10.391 1.00 25.43 N ATOM 693 CD2 HIS A 48 7.568 -2.477 11.287 1.00 63.10 C ATOM 694 CE1 HIS A 48 9.611 -3.149 11.673 1.00 21.20 C ATOM 695 NE2 HIS A 48 8.448 -2.920 12.244 1.00 14.35 N ATOM 0 H HIS A 48 6.407 -4.863 9.009 1.00 25.34 H new ATOM 0 HA HIS A 48 5.716 -2.748 8.872 1.00 24.52 H new ATOM 0 HB2 HIS A 48 8.604 -2.168 8.024 1.00 2.44 H new ATOM 0 HB3 HIS A 48 7.488 -1.008 8.716 1.00 2.44 H new ATOM 0 HD1 HIS A 48 10.266 -2.964 9.710 1.00 25.43 H new ATOM 0 HD2 HIS A 48 6.535 -2.206 11.445 1.00 63.10 H new ATOM 0 HE1 HIS A 48 10.499 -3.505 12.174 1.00 21.20 H new ATOM 704 N HIS A 49 5.459 -3.410 6.069 1.00 54.40 N ATOM 705 CA HIS A 49 4.945 -3.190 4.701 1.00 72.41 C ATOM 706 C HIS A 49 3.690 -2.294 4.735 1.00 33.42 C ATOM 707 O HIS A 49 2.671 -2.645 5.349 1.00 24.42 O ATOM 708 CB HIS A 49 4.623 -4.547 4.027 1.00 34.20 C ATOM 709 CG HIS A 49 4.182 -4.446 2.578 1.00 4.21 C ATOM 710 ND1 HIS A 49 5.095 -4.443 1.552 1.00 32.23 N ATOM 711 CD2 HIS A 49 2.930 -4.361 2.044 1.00 62.22 C ATOM 712 CE1 HIS A 49 4.394 -4.356 0.434 1.00 22.41 C ATOM 713 NE2 HIS A 49 3.080 -4.305 0.683 1.00 63.22 N ATOM 0 H HIS A 49 5.294 -4.356 6.414 1.00 54.40 H new ATOM 0 HA HIS A 49 5.713 -2.684 4.117 1.00 72.41 H new ATOM 0 HB2 HIS A 49 5.507 -5.183 4.080 1.00 34.20 H new ATOM 0 HB3 HIS A 49 3.838 -5.044 4.598 1.00 34.20 H new ATOM 0 HD2 HIS A 49 1.998 -4.342 2.590 1.00 62.22 H new ATOM 0 HE1 HIS A 49 4.827 -4.329 -0.555 1.00 22.41 H new ATOM 0 HE2 HIS A 49 2.333 -4.237 -0.008 1.00 63.22 H new ATOM 721 N LYS A 50 3.784 -1.129 4.080 1.00 22.54 N ATOM 722 CA LYS A 50 2.683 -0.152 4.027 1.00 33.14 C ATOM 723 C LYS A 50 2.443 0.368 2.571 1.00 13.21 C ATOM 724 O LYS A 50 3.384 0.476 1.789 1.00 13.02 O ATOM 725 CB LYS A 50 2.980 1.013 5.016 1.00 75.04 C ATOM 726 CG LYS A 50 4.162 1.935 4.628 1.00 55.42 C ATOM 727 CD LYS A 50 4.470 2.998 5.713 1.00 11.40 C ATOM 728 CE LYS A 50 5.475 4.055 5.230 1.00 44.03 C ATOM 729 NZ LYS A 50 5.873 4.991 6.307 1.00 50.14 N ATOM 0 H LYS A 50 4.620 -0.836 3.574 1.00 22.54 H new ATOM 0 HA LYS A 50 1.759 -0.643 4.332 1.00 33.14 H new ATOM 0 HB2 LYS A 50 2.082 1.624 5.110 1.00 75.04 H new ATOM 0 HB3 LYS A 50 3.181 0.588 6.000 1.00 75.04 H new ATOM 0 HG2 LYS A 50 5.051 1.328 4.457 1.00 55.42 H new ATOM 0 HG3 LYS A 50 3.933 2.437 3.688 1.00 55.42 H new ATOM 0 HD2 LYS A 50 3.543 3.490 6.009 1.00 11.40 H new ATOM 0 HD3 LYS A 50 4.865 2.503 6.600 1.00 11.40 H new ATOM 0 HE2 LYS A 50 6.362 3.557 4.839 1.00 44.03 H new ATOM 0 HE3 LYS A 50 5.037 4.619 4.406 1.00 44.03 H new ATOM 0 HZ1 LYS A 50 6.551 5.684 5.931 1.00 50.14 H new ATOM 0 HZ2 LYS A 50 5.032 5.488 6.664 1.00 50.14 H new ATOM 0 HZ3 LYS A 50 6.316 4.459 7.083 1.00 50.14 H new ATOM 743 N TRP A 51 1.185 0.683 2.179 1.00 2.22 N ATOM 744 CA TRP A 51 -0.025 0.584 3.035 1.00 22.14 C ATOM 745 C TRP A 51 -0.970 -0.540 2.578 1.00 52.00 C ATOM 746 O TRP A 51 -1.003 -0.931 1.404 1.00 63.01 O ATOM 747 CB TRP A 51 -0.783 1.940 3.058 1.00 30.21 C ATOM 748 CG TRP A 51 0.014 3.053 3.686 1.00 75.12 C ATOM 749 CD1 TRP A 51 0.852 3.923 3.056 1.00 61.24 C ATOM 750 CD2 TRP A 51 0.078 3.380 5.083 1.00 55.22 C ATOM 751 NE1 TRP A 51 1.408 4.779 3.969 1.00 22.01 N ATOM 752 CE2 TRP A 51 0.954 4.467 5.212 1.00 74.43 C ATOM 753 CE3 TRP A 51 -0.529 2.866 6.234 1.00 31.22 C ATOM 754 CZ2 TRP A 51 1.248 5.048 6.434 1.00 53.21 C ATOM 755 CZ3 TRP A 51 -0.236 3.442 7.455 1.00 62.21 C ATOM 756 CH2 TRP A 51 0.649 4.526 7.544 1.00 64.43 C ATOM 0 H TRP A 51 0.977 1.020 1.239 1.00 2.22 H new ATOM 0 HA TRP A 51 0.313 0.339 4.042 1.00 22.14 H new ATOM 0 HB2 TRP A 51 -1.045 2.220 2.038 1.00 30.21 H new ATOM 0 HB3 TRP A 51 -1.718 1.817 3.605 1.00 30.21 H new ATOM 0 HD1 TRP A 51 1.049 3.936 1.994 1.00 61.24 H new ATOM 0 HE1 TRP A 51 2.060 5.532 3.751 1.00 22.01 H new ATOM 0 HE3 TRP A 51 -1.214 2.034 6.169 1.00 31.22 H new ATOM 0 HZ2 TRP A 51 1.927 5.885 6.506 1.00 53.21 H new ATOM 0 HZ3 TRP A 51 -0.694 3.053 8.352 1.00 62.21 H new ATOM 0 HH2 TRP A 51 0.861 4.957 8.511 1.00 64.43 H new ATOM 767 N VAL A 52 -1.717 -1.057 3.558 1.00 20.14 N ATOM 768 CA VAL A 52 -2.851 -1.974 3.355 1.00 30.22 C ATOM 769 C VAL A 52 -4.063 -1.399 4.117 1.00 0.42 C ATOM 770 O VAL A 52 -3.916 -0.917 5.241 1.00 20.22 O ATOM 771 CB VAL A 52 -2.524 -3.442 3.833 1.00 34.45 C ATOM 772 CG1 VAL A 52 -1.374 -4.071 3.001 1.00 52.32 C ATOM 773 CG2 VAL A 52 -2.207 -3.506 5.349 1.00 24.05 C ATOM 0 H VAL A 52 -1.548 -0.846 4.542 1.00 20.14 H new ATOM 0 HA VAL A 52 -3.070 -2.048 2.290 1.00 30.22 H new ATOM 0 HB VAL A 52 -3.424 -4.032 3.663 1.00 34.45 H new ATOM 0 HG11 VAL A 52 -1.177 -5.082 3.359 1.00 52.32 H new ATOM 0 HG12 VAL A 52 -1.663 -4.108 1.951 1.00 52.32 H new ATOM 0 HG13 VAL A 52 -0.474 -3.466 3.109 1.00 52.32 H new ATOM 0 HG21 VAL A 52 -1.988 -4.536 5.632 1.00 24.05 H new ATOM 0 HG22 VAL A 52 -1.343 -2.878 5.567 1.00 24.05 H new ATOM 0 HG23 VAL A 52 -3.067 -3.149 5.916 1.00 24.05 H new ATOM 783 N ILE A 53 -5.252 -1.407 3.508 1.00 33.12 N ATOM 784 CA ILE A 53 -6.432 -0.735 4.107 1.00 1.42 C ATOM 785 C ILE A 53 -7.388 -1.736 4.787 1.00 63.22 C ATOM 786 O ILE A 53 -7.254 -2.953 4.632 1.00 61.13 O ATOM 787 CB ILE A 53 -7.205 0.146 3.054 1.00 74.31 C ATOM 788 CG1 ILE A 53 -7.812 -0.714 1.896 1.00 70.32 C ATOM 789 CG2 ILE A 53 -6.273 1.245 2.492 1.00 61.42 C ATOM 790 CD1 ILE A 53 -8.662 0.071 0.901 1.00 41.24 C ATOM 0 H ILE A 53 -5.433 -1.862 2.613 1.00 33.12 H new ATOM 0 HA ILE A 53 -6.046 -0.070 4.880 1.00 1.42 H new ATOM 0 HB ILE A 53 -8.041 0.618 3.570 1.00 74.31 H new ATOM 0 HG12 ILE A 53 -6.999 -1.199 1.356 1.00 70.32 H new ATOM 0 HG13 ILE A 53 -8.423 -1.506 2.330 1.00 70.32 H new ATOM 0 HG21 ILE A 53 -6.818 1.848 1.765 1.00 61.42 H new ATOM 0 HG22 ILE A 53 -5.929 1.882 3.307 1.00 61.42 H new ATOM 0 HG23 ILE A 53 -5.414 0.781 2.007 1.00 61.42 H new ATOM 0 HD11 ILE A 53 -9.041 -0.604 0.134 1.00 41.24 H new ATOM 0 HD12 ILE A 53 -9.499 0.534 1.423 1.00 41.24 H new ATOM 0 HD13 ILE A 53 -8.053 0.845 0.434 1.00 41.24 H new ATOM 802 N GLN A 54 -8.317 -1.201 5.588 1.00 4.25 N ATOM 803 CA GLN A 54 -9.366 -1.988 6.274 1.00 2.54 C ATOM 804 C GLN A 54 -10.225 -2.808 5.270 1.00 14.42 C ATOM 805 O GLN A 54 -10.627 -3.931 5.570 1.00 11.22 O ATOM 806 CB GLN A 54 -10.218 -1.018 7.157 1.00 62.44 C ATOM 807 CG GLN A 54 -10.907 -1.655 8.405 1.00 40.53 C ATOM 808 CD GLN A 54 -12.375 -2.052 8.207 1.00 24.33 C ATOM 809 OE1 GLN A 54 -12.804 -2.419 7.123 1.00 72.51 O ATOM 810 NE2 GLN A 54 -13.159 -1.969 9.261 1.00 12.51 N ATOM 0 H GLN A 54 -8.368 -0.201 5.784 1.00 4.25 H new ATOM 0 HA GLN A 54 -8.904 -2.732 6.923 1.00 2.54 H new ATOM 0 HB2 GLN A 54 -9.573 -0.207 7.497 1.00 62.44 H new ATOM 0 HB3 GLN A 54 -10.989 -0.571 6.530 1.00 62.44 H new ATOM 0 HG2 GLN A 54 -10.344 -2.541 8.699 1.00 40.53 H new ATOM 0 HG3 GLN A 54 -10.846 -0.949 9.234 1.00 40.53 H new ATOM 0 HE21 GLN A 54 -12.779 -1.660 10.156 1.00 12.51 H new ATOM 0 HE22 GLN A 54 -14.146 -2.213 9.183 1.00 12.51 H new ATOM 819 N GLU A 55 -10.447 -2.260 4.057 1.00 4.03 N ATOM 820 CA GLU A 55 -11.196 -2.956 2.977 1.00 42.14 C ATOM 821 C GLU A 55 -10.387 -4.128 2.355 1.00 5.11 C ATOM 822 O GLU A 55 -10.962 -5.031 1.743 1.00 11.14 O ATOM 823 CB GLU A 55 -11.553 -1.941 1.860 1.00 51.12 C ATOM 824 CG GLU A 55 -12.273 -0.663 2.332 1.00 72.15 C ATOM 825 CD GLU A 55 -13.638 -0.942 2.984 1.00 71.44 C ATOM 826 OE1 GLU A 55 -14.556 -1.397 2.270 1.00 21.24 O ATOM 827 OE2 GLU A 55 -13.794 -0.727 4.204 1.00 35.34 O ATOM 0 H GLU A 55 -10.117 -1.331 3.795 1.00 4.03 H new ATOM 0 HA GLU A 55 -12.098 -3.374 3.425 1.00 42.14 H new ATOM 0 HB2 GLU A 55 -10.635 -1.652 1.348 1.00 51.12 H new ATOM 0 HB3 GLU A 55 -12.183 -2.442 1.125 1.00 51.12 H new ATOM 0 HG2 GLU A 55 -11.637 -0.138 3.045 1.00 72.15 H new ATOM 0 HG3 GLU A 55 -12.414 0.003 1.480 1.00 72.15 H new ATOM 834 N GLU A 56 -9.051 -4.087 2.518 1.00 15.04 N ATOM 835 CA GLU A 56 -8.111 -5.050 1.895 1.00 14.51 C ATOM 836 C GLU A 56 -8.008 -6.346 2.736 1.00 23.04 C ATOM 837 O GLU A 56 -7.891 -7.449 2.186 1.00 22.22 O ATOM 838 CB GLU A 56 -6.717 -4.336 1.750 1.00 44.10 C ATOM 839 CG GLU A 56 -5.566 -5.119 1.057 1.00 24.54 C ATOM 840 CD GLU A 56 -4.921 -6.239 1.914 1.00 74.15 C ATOM 841 OE1 GLU A 56 -4.508 -5.950 3.046 1.00 25.43 O ATOM 842 OE2 GLU A 56 -4.860 -7.402 1.467 1.00 20.35 O ATOM 0 H GLU A 56 -8.586 -3.381 3.089 1.00 15.04 H new ATOM 0 HA GLU A 56 -8.471 -5.351 0.911 1.00 14.51 H new ATOM 0 HB2 GLU A 56 -6.872 -3.410 1.196 1.00 44.10 H new ATOM 0 HB3 GLU A 56 -6.378 -4.058 2.748 1.00 44.10 H new ATOM 0 HG2 GLU A 56 -5.951 -5.562 0.139 1.00 24.54 H new ATOM 0 HG3 GLU A 56 -4.789 -4.411 0.768 1.00 24.54 H new ATOM 849 N ILE A 57 -8.117 -6.195 4.064 1.00 71.33 N ATOM 850 CA ILE A 57 -7.862 -7.292 5.026 1.00 5.43 C ATOM 851 C ILE A 57 -9.142 -8.138 5.256 1.00 74.45 C ATOM 852 O ILE A 57 -10.224 -7.590 5.487 1.00 2.53 O ATOM 853 CB ILE A 57 -7.323 -6.718 6.393 1.00 24.13 C ATOM 854 CG1 ILE A 57 -5.989 -5.923 6.156 1.00 30.32 C ATOM 855 CG2 ILE A 57 -7.132 -7.843 7.444 1.00 23.24 C ATOM 856 CD1 ILE A 57 -5.343 -5.338 7.407 1.00 40.54 C ATOM 0 H ILE A 57 -8.383 -5.315 4.506 1.00 71.33 H new ATOM 0 HA ILE A 57 -7.099 -7.943 4.601 1.00 5.43 H new ATOM 0 HB ILE A 57 -8.067 -6.030 6.794 1.00 24.13 H new ATOM 0 HG12 ILE A 57 -5.271 -6.587 5.674 1.00 30.32 H new ATOM 0 HG13 ILE A 57 -6.190 -5.110 5.458 1.00 30.32 H new ATOM 0 HG21 ILE A 57 -6.760 -7.413 8.374 1.00 23.24 H new ATOM 0 HG22 ILE A 57 -8.087 -8.335 7.628 1.00 23.24 H new ATOM 0 HG23 ILE A 57 -6.415 -8.573 7.069 1.00 23.24 H new ATOM 0 HD11 ILE A 57 -4.430 -4.810 7.132 1.00 40.54 H new ATOM 0 HD12 ILE A 57 -6.035 -4.643 7.882 1.00 40.54 H new ATOM 0 HD13 ILE A 57 -5.102 -6.142 8.102 1.00 40.54 H new ATOM 868 N LYS A 58 -8.989 -9.476 5.186 1.00 12.00 N ATOM 869 CA LYS A 58 -10.092 -10.449 5.385 1.00 3.14 C ATOM 870 C LYS A 58 -10.727 -10.333 6.794 1.00 51.11 C ATOM 871 O LYS A 58 -11.957 -10.349 6.945 1.00 74.35 O ATOM 872 CB LYS A 58 -9.557 -11.892 5.172 1.00 1.11 C ATOM 873 CG LYS A 58 -10.649 -12.987 5.137 1.00 1.32 C ATOM 874 CD LYS A 58 -10.065 -14.408 4.975 1.00 2.34 C ATOM 875 CE LYS A 58 -11.154 -15.493 4.898 1.00 74.05 C ATOM 876 NZ LYS A 58 -12.056 -15.478 6.083 1.00 1.53 N ATOM 0 H LYS A 58 -8.092 -9.919 4.989 1.00 12.00 H new ATOM 0 HA LYS A 58 -10.868 -10.222 4.654 1.00 3.14 H new ATOM 0 HB2 LYS A 58 -8.999 -11.924 4.236 1.00 1.11 H new ATOM 0 HB3 LYS A 58 -8.853 -12.126 5.971 1.00 1.11 H new ATOM 0 HG2 LYS A 58 -11.233 -12.941 6.056 1.00 1.32 H new ATOM 0 HG3 LYS A 58 -11.334 -12.784 4.314 1.00 1.32 H new ATOM 0 HD2 LYS A 58 -9.456 -14.445 4.072 1.00 2.34 H new ATOM 0 HD3 LYS A 58 -9.403 -14.622 5.814 1.00 2.34 H new ATOM 0 HE2 LYS A 58 -11.745 -15.347 3.994 1.00 74.05 H new ATOM 0 HE3 LYS A 58 -10.682 -16.472 4.816 1.00 74.05 H new ATOM 0 HZ1 LYS A 58 -12.695 -16.297 6.043 1.00 1.53 H new ATOM 0 HZ2 LYS A 58 -11.487 -15.524 6.953 1.00 1.53 H new ATOM 0 HZ3 LYS A 58 -12.616 -14.602 6.082 1.00 1.53 H new ATOM 890 N ASP A 59 -9.864 -10.203 7.816 1.00 15.13 N ATOM 891 CA ASP A 59 -10.271 -10.186 9.241 1.00 51.44 C ATOM 892 C ASP A 59 -10.994 -8.867 9.657 1.00 3.22 C ATOM 893 O ASP A 59 -11.517 -8.795 10.777 1.00 73.42 O ATOM 894 CB ASP A 59 -9.004 -10.430 10.109 1.00 22.35 C ATOM 895 CG ASP A 59 -9.306 -10.697 11.603 1.00 1.31 C ATOM 896 OD1 ASP A 59 -9.627 -11.851 11.943 1.00 43.05 O ATOM 897 OD2 ASP A 59 -9.253 -9.752 12.432 1.00 52.41 O ATOM 0 H ASP A 59 -8.858 -10.106 7.681 1.00 15.13 H new ATOM 0 HA ASP A 59 -11.003 -10.977 9.401 1.00 51.44 H new ATOM 0 HB2 ASP A 59 -8.456 -11.280 9.702 1.00 22.35 H new ATOM 0 HB3 ASP A 59 -8.350 -9.562 10.031 1.00 22.35 H new ATOM 902 N ALA A 60 -11.023 -7.853 8.747 1.00 20.43 N ATOM 903 CA ALA A 60 -11.611 -6.499 8.986 1.00 40.33 C ATOM 904 C ALA A 60 -12.857 -6.480 9.912 1.00 11.21 C ATOM 905 O ALA A 60 -12.790 -5.934 11.011 1.00 24.42 O ATOM 906 CB ALA A 60 -11.959 -5.853 7.636 1.00 4.12 C ATOM 0 H ALA A 60 -10.632 -7.953 7.810 1.00 20.43 H new ATOM 0 HA ALA A 60 -10.847 -5.931 9.517 1.00 40.33 H new ATOM 0 HB1 ALA A 60 -12.388 -4.865 7.805 1.00 4.12 H new ATOM 0 HB2 ALA A 60 -11.055 -5.758 7.034 1.00 4.12 H new ATOM 0 HB3 ALA A 60 -12.681 -6.477 7.109 1.00 4.12 H new ATOM 912 N GLY A 61 -13.980 -7.064 9.455 1.00 65.40 N ATOM 913 CA GLY A 61 -15.190 -7.218 10.292 1.00 41.43 C ATOM 914 C GLY A 61 -15.860 -5.903 10.709 1.00 20.14 C ATOM 915 O GLY A 61 -16.510 -5.852 11.761 1.00 61.30 O ATOM 0 H GLY A 61 -14.077 -7.438 8.511 1.00 65.40 H new ATOM 0 HA2 GLY A 61 -15.916 -7.822 9.747 1.00 41.43 H new ATOM 0 HA3 GLY A 61 -14.924 -7.774 11.191 1.00 41.43 H new ATOM 919 N ASP A 62 -15.659 -4.838 9.898 1.00 34.41 N ATOM 920 CA ASP A 62 -16.155 -3.459 10.175 1.00 1.14 C ATOM 921 C ASP A 62 -15.513 -2.816 11.452 1.00 20.10 C ATOM 922 O ASP A 62 -15.929 -1.733 11.867 1.00 34.30 O ATOM 923 CB ASP A 62 -17.718 -3.427 10.244 1.00 21.12 C ATOM 924 CG ASP A 62 -18.391 -3.779 8.903 1.00 63.41 C ATOM 925 OD1 ASP A 62 -18.414 -4.971 8.520 1.00 5.30 O ATOM 926 OD2 ASP A 62 -18.905 -2.864 8.219 1.00 1.52 O ATOM 0 H ASP A 62 -15.142 -4.908 9.021 1.00 34.41 H new ATOM 0 HA ASP A 62 -15.835 -2.843 9.335 1.00 1.14 H new ATOM 0 HB2 ASP A 62 -18.056 -4.127 11.008 1.00 21.12 H new ATOM 0 HB3 ASP A 62 -18.041 -2.434 10.556 1.00 21.12 H new ATOM 931 N LYS A 63 -14.472 -3.461 12.036 1.00 15.13 N ATOM 932 CA LYS A 63 -13.804 -2.985 13.287 1.00 42.41 C ATOM 933 C LYS A 63 -12.375 -2.451 12.997 1.00 35.42 C ATOM 934 O LYS A 63 -11.825 -2.666 11.908 1.00 1.23 O ATOM 935 CB LYS A 63 -13.749 -4.133 14.350 1.00 41.54 C ATOM 936 CG LYS A 63 -12.740 -5.265 14.034 1.00 22.05 C ATOM 937 CD LYS A 63 -12.756 -6.421 15.061 1.00 63.33 C ATOM 938 CE LYS A 63 -11.687 -7.498 14.760 1.00 65.43 C ATOM 939 NZ LYS A 63 -11.852 -8.117 13.412 1.00 42.41 N ATOM 0 H LYS A 63 -14.070 -4.320 11.661 1.00 15.13 H new ATOM 0 HA LYS A 63 -14.396 -2.162 13.687 1.00 42.41 H new ATOM 0 HB2 LYS A 63 -13.496 -3.700 15.318 1.00 41.54 H new ATOM 0 HB3 LYS A 63 -14.744 -4.569 14.445 1.00 41.54 H new ATOM 0 HG2 LYS A 63 -12.958 -5.667 13.045 1.00 22.05 H new ATOM 0 HG3 LYS A 63 -11.736 -4.843 13.992 1.00 22.05 H new ATOM 0 HD2 LYS A 63 -12.589 -6.017 16.060 1.00 63.33 H new ATOM 0 HD3 LYS A 63 -13.742 -6.885 15.066 1.00 63.33 H new ATOM 0 HE2 LYS A 63 -10.696 -7.049 14.830 1.00 65.43 H new ATOM 0 HE3 LYS A 63 -11.738 -8.277 15.521 1.00 65.43 H new ATOM 0 HZ1 LYS A 63 -11.131 -8.854 13.278 1.00 42.41 H new ATOM 0 HZ2 LYS A 63 -12.799 -8.542 13.338 1.00 42.41 H new ATOM 0 HZ3 LYS A 63 -11.742 -7.387 12.679 1.00 42.41 H new ATOM 953 N THR A 64 -11.778 -1.762 13.992 1.00 53.23 N ATOM 954 CA THR A 64 -10.383 -1.254 13.910 1.00 40.21 C ATOM 955 C THR A 64 -9.400 -2.295 14.493 1.00 73.24 C ATOM 956 O THR A 64 -9.504 -2.662 15.674 1.00 63.32 O ATOM 957 CB THR A 64 -10.220 0.111 14.670 1.00 45.42 C ATOM 958 OG1 THR A 64 -11.183 1.056 14.171 1.00 25.20 O ATOM 959 CG2 THR A 64 -8.801 0.710 14.514 1.00 70.43 C ATOM 0 H THR A 64 -12.243 -1.540 14.873 1.00 53.23 H new ATOM 0 HA THR A 64 -10.155 -1.086 12.857 1.00 40.21 H new ATOM 0 HB THR A 64 -10.383 -0.088 15.729 1.00 45.42 H new ATOM 0 HG1 THR A 64 -11.083 1.907 14.646 1.00 25.20 H new ATOM 0 HG21 THR A 64 -8.742 1.653 15.058 1.00 70.43 H new ATOM 0 HG22 THR A 64 -8.066 0.013 14.915 1.00 70.43 H new ATOM 0 HG23 THR A 64 -8.595 0.887 13.458 1.00 70.43 H new ATOM 967 N LEU A 65 -8.463 -2.769 13.655 1.00 42.32 N ATOM 968 CA LEU A 65 -7.456 -3.778 14.048 1.00 1.45 C ATOM 969 C LEU A 65 -6.295 -3.119 14.837 1.00 60.31 C ATOM 970 O LEU A 65 -5.691 -2.140 14.387 1.00 51.43 O ATOM 971 CB LEU A 65 -6.934 -4.507 12.787 1.00 61.52 C ATOM 972 CG LEU A 65 -8.037 -5.159 11.885 1.00 45.23 C ATOM 973 CD1 LEU A 65 -7.450 -5.644 10.545 1.00 3.14 C ATOM 974 CD2 LEU A 65 -8.761 -6.308 12.626 1.00 12.00 C ATOM 0 H LEU A 65 -8.379 -2.465 12.685 1.00 42.32 H new ATOM 0 HA LEU A 65 -7.922 -4.511 14.707 1.00 1.45 H new ATOM 0 HB2 LEU A 65 -6.369 -3.796 12.184 1.00 61.52 H new ATOM 0 HB3 LEU A 65 -6.237 -5.285 13.100 1.00 61.52 H new ATOM 0 HG LEU A 65 -8.777 -4.390 11.663 1.00 45.23 H new ATOM 0 HD11 LEU A 65 -8.240 -6.091 9.942 1.00 3.14 H new ATOM 0 HD12 LEU A 65 -7.019 -4.798 10.009 1.00 3.14 H new ATOM 0 HD13 LEU A 65 -6.674 -6.386 10.735 1.00 3.14 H new ATOM 0 HD21 LEU A 65 -9.520 -6.740 11.974 1.00 12.00 H new ATOM 0 HD22 LEU A 65 -8.038 -7.076 12.900 1.00 12.00 H new ATOM 0 HD23 LEU A 65 -9.235 -5.918 13.527 1.00 12.00 H new ATOM 986 N GLN A 66 -6.002 -3.684 16.012 1.00 34.21 N ATOM 987 CA GLN A 66 -5.025 -3.123 16.971 1.00 63.04 C ATOM 988 C GLN A 66 -3.595 -3.661 16.698 1.00 54.20 C ATOM 989 O GLN A 66 -3.449 -4.740 16.116 1.00 51.50 O ATOM 990 CB GLN A 66 -5.483 -3.469 18.419 1.00 31.43 C ATOM 991 CG GLN A 66 -6.933 -3.043 18.748 1.00 54.25 C ATOM 992 CD GLN A 66 -7.179 -1.530 18.635 1.00 11.41 C ATOM 993 OE1 GLN A 66 -6.300 -0.716 18.908 1.00 31.03 O ATOM 994 NE2 GLN A 66 -8.370 -1.143 18.211 1.00 54.42 N ATOM 0 H GLN A 66 -6.435 -4.550 16.334 1.00 34.21 H new ATOM 0 HA GLN A 66 -4.987 -2.040 16.850 1.00 63.04 H new ATOM 0 HB2 GLN A 66 -5.390 -4.545 18.569 1.00 31.43 H new ATOM 0 HB3 GLN A 66 -4.807 -2.989 19.126 1.00 31.43 H new ATOM 0 HG2 GLN A 66 -7.615 -3.563 18.076 1.00 54.25 H new ATOM 0 HG3 GLN A 66 -7.175 -3.366 19.761 1.00 54.25 H new ATOM 0 HE21 GLN A 66 -9.083 -1.838 17.991 1.00 54.42 H new ATOM 0 HE22 GLN A 66 -8.575 -0.150 18.104 1.00 54.42 H new ATOM 1003 N PRO A 67 -2.510 -2.894 17.069 1.00 1.31 N ATOM 1004 CA PRO A 67 -1.112 -3.403 17.002 1.00 64.42 C ATOM 1005 C PRO A 67 -0.912 -4.755 17.752 1.00 33.14 C ATOM 1006 O PRO A 67 -1.061 -4.834 18.974 1.00 51.42 O ATOM 1007 CB PRO A 67 -0.284 -2.262 17.641 1.00 50.34 C ATOM 1008 CG PRO A 67 -1.097 -1.031 17.376 1.00 74.42 C ATOM 1009 CD PRO A 67 -2.544 -1.468 17.509 1.00 35.13 C ATOM 0 HA PRO A 67 -0.812 -3.633 15.980 1.00 64.42 H new ATOM 0 HB2 PRO A 67 -0.141 -2.423 18.709 1.00 50.34 H new ATOM 0 HB3 PRO A 67 0.707 -2.189 17.194 1.00 50.34 H new ATOM 0 HG2 PRO A 67 -0.858 -0.241 18.088 1.00 74.42 H new ATOM 0 HG3 PRO A 67 -0.896 -0.634 16.381 1.00 74.42 H new ATOM 0 HD2 PRO A 67 -2.902 -1.371 18.534 1.00 35.13 H new ATOM 0 HD3 PRO A 67 -3.205 -0.869 16.883 1.00 35.13 H new ATOM 1017 N GLY A 68 -0.578 -5.801 16.980 1.00 10.11 N ATOM 1018 CA GLY A 68 -0.387 -7.166 17.490 1.00 73.54 C ATOM 1019 C GLY A 68 -1.409 -8.172 16.949 1.00 52.20 C ATOM 1020 O GLY A 68 -1.163 -9.381 17.003 1.00 74.33 O ATOM 0 H GLY A 68 -0.432 -5.721 15.974 1.00 10.11 H new ATOM 0 HA2 GLY A 68 0.616 -7.505 17.231 1.00 73.54 H new ATOM 0 HA3 GLY A 68 -0.447 -7.150 18.578 1.00 73.54 H new ATOM 1024 N ASP A 69 -2.555 -7.675 16.433 1.00 13.50 N ATOM 1025 CA ASP A 69 -3.653 -8.527 15.912 1.00 2.44 C ATOM 1026 C ASP A 69 -3.203 -9.389 14.709 1.00 31.23 C ATOM 1027 O ASP A 69 -2.594 -8.885 13.754 1.00 65.05 O ATOM 1028 CB ASP A 69 -4.881 -7.653 15.521 1.00 53.44 C ATOM 1029 CG ASP A 69 -5.636 -7.025 16.713 1.00 12.25 C ATOM 1030 OD1 ASP A 69 -5.081 -6.934 17.833 1.00 31.34 O ATOM 1031 OD2 ASP A 69 -6.811 -6.631 16.532 1.00 20.52 O ATOM 0 H ASP A 69 -2.747 -6.676 16.365 1.00 13.50 H new ATOM 0 HA ASP A 69 -3.939 -9.210 16.712 1.00 2.44 H new ATOM 0 HB2 ASP A 69 -4.545 -6.854 14.861 1.00 53.44 H new ATOM 0 HB3 ASP A 69 -5.578 -8.266 14.950 1.00 53.44 H new ATOM 1036 N GLN A 70 -3.513 -10.692 14.784 1.00 23.31 N ATOM 1037 CA GLN A 70 -3.174 -11.661 13.728 1.00 63.24 C ATOM 1038 C GLN A 70 -4.343 -11.747 12.718 1.00 62.11 C ATOM 1039 O GLN A 70 -5.471 -12.092 13.091 1.00 4.11 O ATOM 1040 CB GLN A 70 -2.886 -13.051 14.367 1.00 61.43 C ATOM 1041 CG GLN A 70 -2.144 -14.051 13.455 1.00 13.24 C ATOM 1042 CD GLN A 70 -0.650 -13.729 13.255 1.00 44.24 C ATOM 1043 OE1 GLN A 70 -0.217 -12.583 13.277 1.00 64.52 O ATOM 1044 NE2 GLN A 70 0.156 -14.750 13.065 1.00 23.13 N ATOM 0 H GLN A 70 -4.005 -11.104 15.577 1.00 23.31 H new ATOM 0 HA GLN A 70 -2.279 -11.336 13.197 1.00 63.24 H new ATOM 0 HB2 GLN A 70 -2.297 -12.902 15.272 1.00 61.43 H new ATOM 0 HB3 GLN A 70 -3.833 -13.496 14.673 1.00 61.43 H new ATOM 0 HG2 GLN A 70 -2.236 -15.051 13.879 1.00 13.24 H new ATOM 0 HG3 GLN A 70 -2.634 -14.072 12.482 1.00 13.24 H new ATOM 0 HE21 GLN A 70 -0.218 -15.699 13.049 1.00 23.13 H new ATOM 0 HE22 GLN A 70 1.155 -14.593 12.934 1.00 23.13 H new ATOM 1053 N VAL A 71 -4.056 -11.432 11.441 1.00 13.50 N ATOM 1054 CA VAL A 71 -5.069 -11.274 10.370 1.00 14.25 C ATOM 1055 C VAL A 71 -4.633 -12.008 9.064 1.00 65.44 C ATOM 1056 O VAL A 71 -3.526 -12.548 8.980 1.00 24.41 O ATOM 1057 CB VAL A 71 -5.314 -9.735 10.068 1.00 2.23 C ATOM 1058 CG1 VAL A 71 -5.812 -8.975 11.330 1.00 73.20 C ATOM 1059 CG2 VAL A 71 -4.048 -9.051 9.481 1.00 10.01 C ATOM 0 H VAL A 71 -3.102 -11.277 11.115 1.00 13.50 H new ATOM 0 HA VAL A 71 -5.998 -11.725 10.720 1.00 14.25 H new ATOM 0 HB VAL A 71 -6.099 -9.686 9.313 1.00 2.23 H new ATOM 0 HG11 VAL A 71 -5.969 -7.925 11.084 1.00 73.20 H new ATOM 0 HG12 VAL A 71 -6.751 -9.412 11.671 1.00 73.20 H new ATOM 0 HG13 VAL A 71 -5.066 -9.055 12.121 1.00 73.20 H new ATOM 0 HG21 VAL A 71 -4.259 -7.999 9.289 1.00 10.01 H new ATOM 0 HG22 VAL A 71 -3.227 -9.132 10.193 1.00 10.01 H new ATOM 0 HG23 VAL A 71 -3.769 -9.541 8.548 1.00 10.01 H new ATOM 1069 N ILE A 72 -5.531 -12.027 8.051 1.00 52.20 N ATOM 1070 CA ILE A 72 -5.239 -12.570 6.686 1.00 3.11 C ATOM 1071 C ILE A 72 -5.454 -11.459 5.618 1.00 20.41 C ATOM 1072 O ILE A 72 -6.380 -10.658 5.741 1.00 62.31 O ATOM 1073 CB ILE A 72 -6.152 -13.823 6.345 1.00 31.31 C ATOM 1074 CG1 ILE A 72 -5.966 -14.969 7.395 1.00 25.20 C ATOM 1075 CG2 ILE A 72 -5.900 -14.354 4.903 1.00 63.23 C ATOM 1076 CD1 ILE A 72 -4.561 -15.568 7.474 1.00 62.50 C ATOM 0 H ILE A 72 -6.481 -11.668 8.148 1.00 52.20 H new ATOM 0 HA ILE A 72 -4.200 -12.899 6.674 1.00 3.11 H new ATOM 0 HB ILE A 72 -7.186 -13.480 6.394 1.00 31.31 H new ATOM 0 HG12 ILE A 72 -6.234 -14.584 8.379 1.00 25.20 H new ATOM 0 HG13 ILE A 72 -6.670 -15.768 7.163 1.00 25.20 H new ATOM 0 HG21 ILE A 72 -6.546 -15.211 4.713 1.00 63.23 H new ATOM 0 HG22 ILE A 72 -6.120 -13.567 4.182 1.00 63.23 H new ATOM 0 HG23 ILE A 72 -4.857 -14.656 4.804 1.00 63.23 H new ATOM 0 HD11 ILE A 72 -4.542 -16.352 8.231 1.00 62.50 H new ATOM 0 HD12 ILE A 72 -4.291 -15.991 6.506 1.00 62.50 H new ATOM 0 HD13 ILE A 72 -3.848 -14.788 7.741 1.00 62.50 H new ATOM 1088 N LEU A 73 -4.586 -11.424 4.582 1.00 42.20 N ATOM 1089 CA LEU A 73 -4.665 -10.431 3.470 1.00 41.34 C ATOM 1090 C LEU A 73 -5.401 -11.018 2.228 1.00 62.01 C ATOM 1091 O LEU A 73 -5.096 -12.132 1.793 1.00 0.33 O ATOM 1092 CB LEU A 73 -3.228 -9.989 3.075 1.00 51.41 C ATOM 1093 CG LEU A 73 -2.332 -9.446 4.240 1.00 22.12 C ATOM 1094 CD1 LEU A 73 -0.919 -9.084 3.738 1.00 44.41 C ATOM 1095 CD2 LEU A 73 -2.998 -8.248 4.965 1.00 23.11 C ATOM 0 H LEU A 73 -3.810 -12.079 4.487 1.00 42.20 H new ATOM 0 HA LEU A 73 -5.238 -9.571 3.817 1.00 41.34 H new ATOM 0 HB2 LEU A 73 -2.720 -10.839 2.619 1.00 51.41 H new ATOM 0 HB3 LEU A 73 -3.304 -9.215 2.311 1.00 51.41 H new ATOM 0 HG LEU A 73 -2.228 -10.248 4.970 1.00 22.12 H new ATOM 0 HD11 LEU A 73 -0.322 -8.710 4.570 1.00 44.41 H new ATOM 0 HD12 LEU A 73 -0.443 -9.971 3.319 1.00 44.41 H new ATOM 0 HD13 LEU A 73 -0.992 -8.315 2.969 1.00 44.41 H new ATOM 0 HD21 LEU A 73 -2.346 -7.900 5.766 1.00 23.11 H new ATOM 0 HD22 LEU A 73 -3.163 -7.439 4.254 1.00 23.11 H new ATOM 0 HD23 LEU A 73 -3.953 -8.562 5.385 1.00 23.11 H new ATOM 1107 N GLU A 74 -6.385 -10.264 1.675 1.00 71.41 N ATOM 1108 CA GLU A 74 -7.114 -10.660 0.428 1.00 22.51 C ATOM 1109 C GLU A 74 -6.613 -9.921 -0.842 1.00 52.21 C ATOM 1110 O GLU A 74 -7.225 -10.043 -1.910 1.00 72.24 O ATOM 1111 CB GLU A 74 -8.655 -10.492 0.593 1.00 64.41 C ATOM 1112 CG GLU A 74 -9.312 -11.564 1.485 1.00 51.44 C ATOM 1113 CD GLU A 74 -10.850 -11.540 1.427 1.00 5.03 C ATOM 1114 OE1 GLU A 74 -11.435 -12.237 0.566 1.00 43.21 O ATOM 1115 OE2 GLU A 74 -11.479 -10.823 2.230 1.00 75.25 O ATOM 0 H GLU A 74 -6.697 -9.376 2.069 1.00 71.41 H new ATOM 0 HA GLU A 74 -6.891 -11.716 0.278 1.00 22.51 H new ATOM 0 HB2 GLU A 74 -8.859 -9.508 1.015 1.00 64.41 H new ATOM 0 HB3 GLU A 74 -9.120 -10.519 -0.392 1.00 64.41 H new ATOM 0 HG2 GLU A 74 -8.958 -12.549 1.179 1.00 51.44 H new ATOM 0 HG3 GLU A 74 -8.991 -11.416 2.516 1.00 51.44 H new ATOM 1122 N ALA A 75 -5.497 -9.187 -0.735 1.00 63.21 N ATOM 1123 CA ALA A 75 -4.779 -8.614 -1.905 1.00 2.22 C ATOM 1124 C ALA A 75 -3.308 -9.052 -1.886 1.00 31.50 C ATOM 1125 O ALA A 75 -2.799 -9.544 -0.869 1.00 60.31 O ATOM 1126 CB ALA A 75 -4.872 -7.077 -1.935 1.00 60.22 C ATOM 0 H ALA A 75 -5.059 -8.968 0.160 1.00 63.21 H new ATOM 0 HA ALA A 75 -5.260 -8.993 -2.807 1.00 2.22 H new ATOM 0 HB1 ALA A 75 -4.335 -6.697 -2.804 1.00 60.22 H new ATOM 0 HB2 ALA A 75 -5.918 -6.777 -1.995 1.00 60.22 H new ATOM 0 HB3 ALA A 75 -4.428 -6.668 -1.027 1.00 60.22 H new ATOM 1132 N SER A 76 -2.624 -8.857 -3.020 1.00 43.22 N ATOM 1133 CA SER A 76 -1.201 -9.201 -3.159 1.00 13.44 C ATOM 1134 C SER A 76 -0.459 -8.115 -3.959 1.00 60.14 C ATOM 1135 O SER A 76 -0.831 -7.804 -5.094 1.00 24.43 O ATOM 1136 CB SER A 76 -1.077 -10.567 -3.879 1.00 52.41 C ATOM 1137 OG SER A 76 0.268 -10.939 -4.075 1.00 1.54 O ATOM 0 H SER A 76 -3.037 -8.459 -3.863 1.00 43.22 H new ATOM 0 HA SER A 76 -0.750 -9.265 -2.169 1.00 13.44 H new ATOM 0 HB2 SER A 76 -1.584 -11.333 -3.293 1.00 52.41 H new ATOM 0 HB3 SER A 76 -1.584 -10.516 -4.843 1.00 52.41 H new ATOM 0 HG SER A 76 0.305 -11.806 -4.530 1.00 1.54 H new ATOM 1143 N HIS A 77 0.601 -7.541 -3.359 1.00 33.54 N ATOM 1144 CA HIS A 77 1.550 -6.637 -4.047 1.00 12.42 C ATOM 1145 C HIS A 77 2.831 -7.418 -4.461 1.00 23.30 C ATOM 1146 O HIS A 77 3.710 -6.876 -5.146 1.00 64.14 O ATOM 1147 CB HIS A 77 1.910 -5.444 -3.104 1.00 22.30 C ATOM 1148 CG HIS A 77 0.715 -4.687 -2.540 1.00 3.23 C ATOM 1149 ND1 HIS A 77 0.811 -3.992 -1.356 1.00 42.44 N ATOM 1150 CD2 HIS A 77 -0.552 -4.538 -3.027 1.00 63.13 C ATOM 1151 CE1 HIS A 77 -0.372 -3.445 -1.151 1.00 74.32 C ATOM 1152 NE2 HIS A 77 -1.228 -3.747 -2.135 1.00 14.35 N ATOM 0 H HIS A 77 0.827 -7.691 -2.376 1.00 33.54 H new ATOM 0 HA HIS A 77 1.085 -6.244 -4.951 1.00 12.42 H new ATOM 0 HB2 HIS A 77 2.506 -5.824 -2.274 1.00 22.30 H new ATOM 0 HB3 HIS A 77 2.539 -4.743 -3.653 1.00 22.30 H new ATOM 0 HD2 HIS A 77 -0.945 -4.962 -3.939 1.00 63.13 H new ATOM 0 HE1 HIS A 77 -0.619 -2.831 -0.297 1.00 74.32 H new ATOM 0 HE2 HIS A 77 -2.200 -3.445 -2.207 1.00 14.35 H new ATOM 1160 N MET A 78 2.909 -8.700 -4.038 1.00 63.31 N ATOM 1161 CA MET A 78 4.055 -9.604 -4.301 1.00 31.54 C ATOM 1162 C MET A 78 3.602 -11.078 -4.151 1.00 13.44 C ATOM 1163 O MET A 78 2.748 -11.367 -3.317 1.00 53.34 O ATOM 1164 CB MET A 78 5.230 -9.292 -3.327 1.00 53.25 C ATOM 1165 CG MET A 78 4.904 -9.458 -1.832 1.00 61.12 C ATOM 1166 SD MET A 78 6.315 -9.073 -0.772 1.00 12.13 S ATOM 1167 CE MET A 78 6.493 -7.301 -1.005 1.00 33.14 C ATOM 0 H MET A 78 2.167 -9.144 -3.496 1.00 63.31 H new ATOM 0 HA MET A 78 4.407 -9.444 -5.320 1.00 31.54 H new ATOM 0 HB2 MET A 78 6.068 -9.943 -3.574 1.00 53.25 H new ATOM 0 HB3 MET A 78 5.561 -8.268 -3.499 1.00 53.25 H new ATOM 0 HG2 MET A 78 4.069 -8.808 -1.571 1.00 61.12 H new ATOM 0 HG3 MET A 78 4.581 -10.482 -1.645 1.00 61.12 H new ATOM 0 HE1 MET A 78 7.164 -6.900 -0.246 1.00 33.14 H new ATOM 0 HE2 MET A 78 6.905 -7.104 -1.995 1.00 33.14 H new ATOM 0 HE3 MET A 78 5.518 -6.823 -0.916 1.00 33.14 H new ATOM 1177 N LYS A 79 4.195 -12.003 -4.939 1.00 4.44 N ATOM 1178 CA LYS A 79 3.781 -13.436 -4.967 1.00 23.32 C ATOM 1179 C LYS A 79 3.776 -14.076 -3.551 1.00 31.43 C ATOM 1180 O LYS A 79 4.793 -14.062 -2.850 1.00 73.34 O ATOM 1181 CB LYS A 79 4.700 -14.256 -5.921 1.00 72.21 C ATOM 1182 CG LYS A 79 4.582 -13.860 -7.410 1.00 43.11 C ATOM 1183 CD LYS A 79 5.490 -14.701 -8.344 1.00 33.42 C ATOM 1184 CE LYS A 79 6.989 -14.516 -8.049 1.00 51.53 C ATOM 1185 NZ LYS A 79 7.427 -13.101 -8.222 1.00 74.25 N ATOM 0 H LYS A 79 4.967 -11.787 -5.570 1.00 4.44 H new ATOM 0 HA LYS A 79 2.758 -13.462 -5.343 1.00 23.32 H new ATOM 0 HB2 LYS A 79 5.736 -14.132 -5.605 1.00 72.21 H new ATOM 0 HB3 LYS A 79 4.460 -15.314 -5.818 1.00 72.21 H new ATOM 0 HG2 LYS A 79 3.545 -13.971 -7.727 1.00 43.11 H new ATOM 0 HG3 LYS A 79 4.838 -12.806 -7.519 1.00 43.11 H new ATOM 0 HD2 LYS A 79 5.232 -15.755 -8.240 1.00 33.42 H new ATOM 0 HD3 LYS A 79 5.292 -14.425 -9.380 1.00 33.42 H new ATOM 0 HE2 LYS A 79 7.199 -14.837 -7.029 1.00 51.53 H new ATOM 0 HE3 LYS A 79 7.570 -15.158 -8.711 1.00 51.53 H new ATOM 0 HZ1 LYS A 79 8.463 -13.047 -8.146 1.00 74.25 H new ATOM 0 HZ2 LYS A 79 7.130 -12.757 -9.157 1.00 74.25 H new ATOM 0 HZ3 LYS A 79 6.994 -12.511 -7.483 1.00 74.25 H new ATOM 1199 N GLY A 80 2.604 -14.592 -3.137 1.00 53.54 N ATOM 1200 CA GLY A 80 2.434 -15.224 -1.822 1.00 43.12 C ATOM 1201 C GLY A 80 1.719 -14.350 -0.781 1.00 11.21 C ATOM 1202 O GLY A 80 1.271 -14.874 0.246 1.00 34.53 O ATOM 0 H GLY A 80 1.755 -14.581 -3.703 1.00 53.54 H new ATOM 0 HA2 GLY A 80 1.872 -16.149 -1.948 1.00 43.12 H new ATOM 0 HA3 GLY A 80 3.416 -15.497 -1.435 1.00 43.12 H new ATOM 1206 N MET A 81 1.618 -13.028 -1.037 1.00 53.03 N ATOM 1207 CA MET A 81 1.043 -12.045 -0.077 1.00 32.33 C ATOM 1208 C MET A 81 -0.461 -12.298 0.214 1.00 12.14 C ATOM 1209 O MET A 81 -0.884 -12.254 1.378 1.00 31.34 O ATOM 1210 CB MET A 81 1.264 -10.598 -0.597 1.00 52.22 C ATOM 1211 CG MET A 81 0.690 -9.483 0.291 1.00 62.01 C ATOM 1212 SD MET A 81 1.114 -7.839 -0.321 1.00 34.11 S ATOM 1213 CE MET A 81 0.284 -6.779 0.859 1.00 63.02 C ATOM 0 H MET A 81 1.931 -12.607 -1.912 1.00 53.03 H new ATOM 0 HA MET A 81 1.569 -12.175 0.869 1.00 32.33 H new ATOM 0 HB2 MET A 81 2.335 -10.432 -0.713 1.00 52.22 H new ATOM 0 HB3 MET A 81 0.819 -10.515 -1.589 1.00 52.22 H new ATOM 0 HG2 MET A 81 -0.394 -9.582 0.340 1.00 62.01 H new ATOM 0 HG3 MET A 81 1.067 -9.599 1.307 1.00 62.01 H new ATOM 0 HE1 MET A 81 0.549 -5.740 0.664 1.00 63.02 H new ATOM 0 HE2 MET A 81 -0.795 -6.903 0.763 1.00 63.02 H new ATOM 0 HE3 MET A 81 0.592 -7.048 1.869 1.00 63.02 H new ATOM 1223 N LYS A 82 -1.270 -12.536 -0.841 1.00 64.34 N ATOM 1224 CA LYS A 82 -2.683 -12.942 -0.657 1.00 15.13 C ATOM 1225 C LYS A 82 -2.749 -14.358 -0.033 1.00 24.54 C ATOM 1226 O LYS A 82 -2.260 -15.328 -0.621 1.00 42.20 O ATOM 1227 CB LYS A 82 -3.478 -12.893 -1.994 1.00 12.21 C ATOM 1228 CG LYS A 82 -4.988 -13.217 -1.839 1.00 32.01 C ATOM 1229 CD LYS A 82 -5.799 -13.058 -3.149 1.00 3.33 C ATOM 1230 CE LYS A 82 -7.297 -13.388 -2.958 1.00 74.23 C ATOM 1231 NZ LYS A 82 -8.088 -13.183 -4.203 1.00 43.51 N ATOM 0 H LYS A 82 -0.977 -12.456 -1.815 1.00 64.34 H new ATOM 0 HA LYS A 82 -3.151 -12.230 0.022 1.00 15.13 H new ATOM 0 HB2 LYS A 82 -3.372 -11.901 -2.432 1.00 12.21 H new ATOM 0 HB3 LYS A 82 -3.035 -13.600 -2.695 1.00 12.21 H new ATOM 0 HG2 LYS A 82 -5.095 -14.240 -1.478 1.00 32.01 H new ATOM 0 HG3 LYS A 82 -5.414 -12.564 -1.077 1.00 32.01 H new ATOM 0 HD2 LYS A 82 -5.699 -12.036 -3.514 1.00 3.33 H new ATOM 0 HD3 LYS A 82 -5.380 -13.712 -3.914 1.00 3.33 H new ATOM 0 HE2 LYS A 82 -7.399 -14.423 -2.632 1.00 74.23 H new ATOM 0 HE3 LYS A 82 -7.706 -12.762 -2.164 1.00 74.23 H new ATOM 0 HZ1 LYS A 82 -9.085 -13.417 -4.023 1.00 43.51 H new ATOM 0 HZ2 LYS A 82 -8.014 -12.189 -4.501 1.00 43.51 H new ATOM 0 HZ3 LYS A 82 -7.718 -13.799 -4.955 1.00 43.51 H new ATOM 1245 N GLY A 83 -3.343 -14.454 1.164 1.00 12.14 N ATOM 1246 CA GLY A 83 -3.393 -15.716 1.914 1.00 22.44 C ATOM 1247 C GLY A 83 -2.196 -15.918 2.851 1.00 61.32 C ATOM 1248 O GLY A 83 -2.078 -16.972 3.483 1.00 73.24 O ATOM 0 H GLY A 83 -3.797 -13.671 1.634 1.00 12.14 H new ATOM 0 HA2 GLY A 83 -4.312 -15.745 2.500 1.00 22.44 H new ATOM 0 HA3 GLY A 83 -3.437 -16.547 1.210 1.00 22.44 H new ATOM 1252 N ALA A 84 -1.296 -14.915 2.928 1.00 32.32 N ATOM 1253 CA ALA A 84 -0.191 -14.903 3.911 1.00 42.04 C ATOM 1254 C ALA A 84 -0.704 -14.435 5.289 1.00 1.53 C ATOM 1255 O ALA A 84 -1.596 -13.576 5.369 1.00 13.12 O ATOM 1256 CB ALA A 84 0.955 -13.993 3.430 1.00 35.32 C ATOM 0 H ALA A 84 -1.313 -14.098 2.317 1.00 32.32 H new ATOM 0 HA ALA A 84 0.194 -15.918 4.007 1.00 42.04 H new ATOM 0 HB1 ALA A 84 1.758 -13.998 4.167 1.00 35.32 H new ATOM 0 HB2 ALA A 84 1.335 -14.360 2.477 1.00 35.32 H new ATOM 0 HB3 ALA A 84 0.584 -12.976 3.305 1.00 35.32 H new ATOM 1262 N THR A 85 -0.131 -14.999 6.366 1.00 73.35 N ATOM 1263 CA THR A 85 -0.524 -14.650 7.746 1.00 3.22 C ATOM 1264 C THR A 85 0.165 -13.326 8.159 1.00 43.44 C ATOM 1265 O THR A 85 1.395 -13.265 8.265 1.00 40.10 O ATOM 1266 CB THR A 85 -0.158 -15.791 8.762 1.00 1.14 C ATOM 1267 OG1 THR A 85 -0.512 -17.074 8.216 1.00 71.34 O ATOM 1268 CG2 THR A 85 -0.884 -15.608 10.112 1.00 22.11 C ATOM 0 H THR A 85 0.608 -15.700 6.309 1.00 73.35 H new ATOM 0 HA THR A 85 -1.607 -14.527 7.770 1.00 3.22 H new ATOM 0 HB THR A 85 0.917 -15.738 8.934 1.00 1.14 H new ATOM 0 HG1 THR A 85 -0.278 -17.778 8.856 1.00 71.34 H new ATOM 0 HG21 THR A 85 -0.605 -16.417 10.788 1.00 22.11 H new ATOM 0 HG22 THR A 85 -0.598 -14.653 10.552 1.00 22.11 H new ATOM 0 HG23 THR A 85 -1.962 -15.625 9.951 1.00 22.11 H new ATOM 1276 N ALA A 86 -0.638 -12.273 8.382 1.00 74.33 N ATOM 1277 CA ALA A 86 -0.140 -10.903 8.638 1.00 14.10 C ATOM 1278 C ALA A 86 -0.329 -10.507 10.114 1.00 52.25 C ATOM 1279 O ALA A 86 -1.295 -10.902 10.753 1.00 70.20 O ATOM 1280 CB ALA A 86 -0.850 -9.905 7.713 1.00 11.23 C ATOM 0 H ALA A 86 -1.656 -12.344 8.391 1.00 74.33 H new ATOM 0 HA ALA A 86 0.929 -10.882 8.426 1.00 14.10 H new ATOM 0 HB1 ALA A 86 -0.477 -8.899 7.908 1.00 11.23 H new ATOM 0 HB2 ALA A 86 -0.654 -10.169 6.674 1.00 11.23 H new ATOM 0 HB3 ALA A 86 -1.924 -9.937 7.899 1.00 11.23 H new ATOM 1286 N GLU A 87 0.612 -9.725 10.634 1.00 24.00 N ATOM 1287 CA GLU A 87 0.612 -9.235 12.022 1.00 53.22 C ATOM 1288 C GLU A 87 0.668 -7.690 12.014 1.00 44.45 C ATOM 1289 O GLU A 87 1.634 -7.106 11.506 1.00 11.45 O ATOM 1290 CB GLU A 87 1.834 -9.851 12.764 1.00 3.13 C ATOM 1291 CG GLU A 87 1.936 -9.512 14.263 1.00 11.43 C ATOM 1292 CD GLU A 87 3.140 -10.189 14.956 1.00 42.34 C ATOM 1293 OE1 GLU A 87 4.302 -9.883 14.599 1.00 65.33 O ATOM 1294 OE2 GLU A 87 2.937 -11.047 15.847 1.00 10.44 O ATOM 0 H GLU A 87 1.417 -9.403 10.096 1.00 24.00 H new ATOM 0 HA GLU A 87 -0.297 -9.535 12.544 1.00 53.22 H new ATOM 0 HB2 GLU A 87 1.795 -10.935 12.656 1.00 3.13 H new ATOM 0 HB3 GLU A 87 2.745 -9.514 12.270 1.00 3.13 H new ATOM 0 HG2 GLU A 87 2.017 -8.431 14.381 1.00 11.43 H new ATOM 0 HG3 GLU A 87 1.017 -9.819 14.762 1.00 11.43 H new ATOM 1301 N ILE A 88 -0.388 -7.040 12.545 1.00 20.22 N ATOM 1302 CA ILE A 88 -0.501 -5.560 12.573 1.00 41.23 C ATOM 1303 C ILE A 88 0.655 -4.927 13.402 1.00 13.22 C ATOM 1304 O ILE A 88 0.769 -5.167 14.599 1.00 72.42 O ATOM 1305 CB ILE A 88 -1.891 -5.091 13.174 1.00 63.12 C ATOM 1306 CG1 ILE A 88 -3.107 -5.786 12.469 1.00 72.44 C ATOM 1307 CG2 ILE A 88 -2.041 -3.542 13.120 1.00 42.21 C ATOM 1308 CD1 ILE A 88 -3.315 -5.427 11.005 1.00 20.20 C ATOM 0 H ILE A 88 -1.184 -7.519 12.965 1.00 20.22 H new ATOM 0 HA ILE A 88 -0.434 -5.219 11.540 1.00 41.23 H new ATOM 0 HB ILE A 88 -1.897 -5.400 14.219 1.00 63.12 H new ATOM 0 HG12 ILE A 88 -2.978 -6.866 12.544 1.00 72.44 H new ATOM 0 HG13 ILE A 88 -4.014 -5.534 13.018 1.00 72.44 H new ATOM 0 HG21 ILE A 88 -3.005 -3.255 13.540 1.00 42.21 H new ATOM 0 HG22 ILE A 88 -1.241 -3.079 13.698 1.00 42.21 H new ATOM 0 HG23 ILE A 88 -1.982 -3.207 12.085 1.00 42.21 H new ATOM 0 HD11 ILE A 88 -4.182 -5.963 10.618 1.00 20.20 H new ATOM 0 HD12 ILE A 88 -3.482 -4.354 10.914 1.00 20.20 H new ATOM 0 HD13 ILE A 88 -2.430 -5.706 10.433 1.00 20.20 H new ATOM 1320 N ASP A 89 1.529 -4.156 12.748 1.00 50.21 N ATOM 1321 CA ASP A 89 2.589 -3.384 13.435 1.00 55.23 C ATOM 1322 C ASP A 89 2.039 -2.036 13.963 1.00 72.35 C ATOM 1323 O ASP A 89 2.421 -1.578 15.053 1.00 34.12 O ATOM 1324 CB ASP A 89 3.788 -3.139 12.482 1.00 22.43 C ATOM 1325 CG ASP A 89 4.461 -4.428 11.979 1.00 11.11 C ATOM 1326 OD1 ASP A 89 4.581 -5.398 12.759 1.00 52.43 O ATOM 1327 OD2 ASP A 89 4.920 -4.460 10.814 1.00 3.24 O ATOM 0 H ASP A 89 1.529 -4.044 11.734 1.00 50.21 H new ATOM 0 HA ASP A 89 2.934 -3.970 14.287 1.00 55.23 H new ATOM 0 HB2 ASP A 89 3.445 -2.562 11.624 1.00 22.43 H new ATOM 0 HB3 ASP A 89 4.531 -2.531 12.998 1.00 22.43 H new ATOM 1332 N SER A 90 1.122 -1.422 13.185 1.00 25.43 N ATOM 1333 CA SER A 90 0.539 -0.096 13.507 1.00 30.45 C ATOM 1334 C SER A 90 -0.822 0.118 12.803 1.00 22.04 C ATOM 1335 O SER A 90 -1.067 -0.425 11.718 1.00 45.45 O ATOM 1336 CB SER A 90 1.515 1.042 13.100 1.00 1.42 C ATOM 1337 OG SER A 90 1.019 2.327 13.479 1.00 72.21 O ATOM 0 H SER A 90 0.765 -1.827 12.320 1.00 25.43 H new ATOM 0 HA SER A 90 0.376 -0.070 14.584 1.00 30.45 H new ATOM 0 HB2 SER A 90 2.485 0.874 13.568 1.00 1.42 H new ATOM 0 HB3 SER A 90 1.673 1.017 12.022 1.00 1.42 H new ATOM 0 HG SER A 90 1.660 3.018 13.209 1.00 72.21 H new ATOM 1343 N ALA A 91 -1.692 0.921 13.444 1.00 24.22 N ATOM 1344 CA ALA A 91 -2.986 1.366 12.878 1.00 53.10 C ATOM 1345 C ALA A 91 -2.983 2.909 12.740 1.00 35.42 C ATOM 1346 O ALA A 91 -2.636 3.625 13.693 1.00 74.03 O ATOM 1347 CB ALA A 91 -4.151 0.889 13.769 1.00 33.12 C ATOM 0 H ALA A 91 -1.517 1.285 14.381 1.00 24.22 H new ATOM 0 HA ALA A 91 -3.123 0.928 11.889 1.00 53.10 H new ATOM 0 HB1 ALA A 91 -5.096 1.223 13.341 1.00 33.12 H new ATOM 0 HB2 ALA A 91 -4.143 -0.199 13.826 1.00 33.12 H new ATOM 0 HB3 ALA A 91 -4.038 1.306 14.770 1.00 33.12 H new ATOM 1353 N GLU A 92 -3.384 3.416 11.561 1.00 1.23 N ATOM 1354 CA GLU A 92 -3.263 4.856 11.218 1.00 43.03 C ATOM 1355 C GLU A 92 -4.425 5.329 10.311 1.00 72.25 C ATOM 1356 O GLU A 92 -4.699 4.723 9.278 1.00 14.43 O ATOM 1357 CB GLU A 92 -1.898 5.099 10.506 1.00 33.40 C ATOM 1358 CG GLU A 92 -1.590 6.568 10.131 1.00 32.52 C ATOM 1359 CD GLU A 92 -1.466 7.505 11.349 1.00 24.42 C ATOM 1360 OE1 GLU A 92 -0.358 7.601 11.921 1.00 13.13 O ATOM 1361 OE2 GLU A 92 -2.470 8.143 11.736 1.00 35.43 O ATOM 0 H GLU A 92 -3.798 2.850 10.820 1.00 1.23 H new ATOM 0 HA GLU A 92 -3.313 5.434 12.141 1.00 43.03 H new ATOM 0 HB2 GLU A 92 -1.101 4.734 11.154 1.00 33.40 H new ATOM 0 HB3 GLU A 92 -1.871 4.498 9.597 1.00 33.40 H new ATOM 0 HG2 GLU A 92 -0.661 6.601 9.562 1.00 32.52 H new ATOM 0 HG3 GLU A 92 -2.378 6.940 9.476 1.00 32.52 H new ATOM 1368 N LYS A 93 -5.093 6.436 10.701 1.00 71.34 N ATOM 1369 CA LYS A 93 -6.144 7.072 9.870 1.00 43.21 C ATOM 1370 C LYS A 93 -5.499 8.156 8.973 1.00 41.00 C ATOM 1371 O LYS A 93 -5.282 9.292 9.402 1.00 20.43 O ATOM 1372 CB LYS A 93 -7.291 7.671 10.745 1.00 62.54 C ATOM 1373 CG LYS A 93 -8.332 6.648 11.277 1.00 31.41 C ATOM 1374 CD LYS A 93 -7.740 5.586 12.232 1.00 42.43 C ATOM 1375 CE LYS A 93 -8.817 4.661 12.827 1.00 24.50 C ATOM 1376 NZ LYS A 93 -9.835 5.416 13.609 1.00 24.24 N ATOM 0 H LYS A 93 -4.924 6.910 11.588 1.00 71.34 H new ATOM 0 HA LYS A 93 -6.600 6.309 9.240 1.00 43.21 H new ATOM 0 HB2 LYS A 93 -6.844 8.184 11.597 1.00 62.54 H new ATOM 0 HB3 LYS A 93 -7.816 8.425 10.158 1.00 62.54 H new ATOM 0 HG2 LYS A 93 -9.124 7.188 11.797 1.00 31.41 H new ATOM 0 HG3 LYS A 93 -8.794 6.142 10.430 1.00 31.41 H new ATOM 0 HD2 LYS A 93 -7.008 4.985 11.693 1.00 42.43 H new ATOM 0 HD3 LYS A 93 -7.208 6.086 13.041 1.00 42.43 H new ATOM 0 HE2 LYS A 93 -9.310 4.115 12.023 1.00 24.50 H new ATOM 0 HE3 LYS A 93 -8.343 3.920 13.471 1.00 24.50 H new ATOM 0 HZ1 LYS A 93 -10.417 4.750 14.155 1.00 24.24 H new ATOM 0 HZ2 LYS A 93 -9.357 6.072 14.259 1.00 24.24 H new ATOM 0 HZ3 LYS A 93 -10.443 5.955 12.959 1.00 24.24 H new ATOM 1390 N THR A 94 -5.175 7.765 7.733 1.00 23.51 N ATOM 1391 CA THR A 94 -4.507 8.629 6.728 1.00 60.41 C ATOM 1392 C THR A 94 -5.170 8.446 5.340 1.00 23.24 C ATOM 1393 O THR A 94 -5.774 7.397 5.070 1.00 50.22 O ATOM 1394 CB THR A 94 -2.971 8.325 6.649 1.00 54.33 C ATOM 1395 OG1 THR A 94 -2.366 9.049 5.559 1.00 53.31 O ATOM 1396 CG2 THR A 94 -2.679 6.818 6.497 1.00 12.43 C ATOM 0 H THR A 94 -5.369 6.826 7.386 1.00 23.51 H new ATOM 0 HA THR A 94 -4.625 9.667 7.040 1.00 60.41 H new ATOM 0 HB THR A 94 -2.536 8.655 7.593 1.00 54.33 H new ATOM 0 HG1 THR A 94 -1.407 8.849 5.526 1.00 53.31 H new ATOM 0 HG21 THR A 94 -1.602 6.659 6.447 1.00 12.43 H new ATOM 0 HG22 THR A 94 -3.085 6.280 7.354 1.00 12.43 H new ATOM 0 HG23 THR A 94 -3.143 6.448 5.583 1.00 12.43 H new ATOM 1404 N THR A 95 -5.060 9.465 4.464 1.00 75.44 N ATOM 1405 CA THR A 95 -5.687 9.417 3.122 1.00 4.24 C ATOM 1406 C THR A 95 -4.799 8.602 2.156 1.00 72.30 C ATOM 1407 O THR A 95 -3.651 8.978 1.899 1.00 14.23 O ATOM 1408 CB THR A 95 -5.946 10.847 2.526 1.00 65.53 C ATOM 1409 OG1 THR A 95 -6.744 11.629 3.437 1.00 72.02 O ATOM 1410 CG2 THR A 95 -6.669 10.777 1.159 1.00 50.43 C ATOM 0 H THR A 95 -4.548 10.326 4.657 1.00 75.44 H new ATOM 0 HA THR A 95 -6.657 8.934 3.238 1.00 4.24 H new ATOM 0 HB THR A 95 -4.973 11.317 2.380 1.00 65.53 H new ATOM 0 HG1 THR A 95 -6.898 12.519 3.056 1.00 72.02 H new ATOM 0 HG21 THR A 95 -6.830 11.786 0.780 1.00 50.43 H new ATOM 0 HG22 THR A 95 -6.057 10.217 0.452 1.00 50.43 H new ATOM 0 HG23 THR A 95 -7.630 10.278 1.281 1.00 50.43 H new ATOM 1418 N VAL A 96 -5.351 7.508 1.602 1.00 25.20 N ATOM 1419 CA VAL A 96 -4.614 6.591 0.710 1.00 11.52 C ATOM 1420 C VAL A 96 -5.055 6.826 -0.750 1.00 42.22 C ATOM 1421 O VAL A 96 -6.248 6.917 -1.055 1.00 4.21 O ATOM 1422 CB VAL A 96 -4.811 5.073 1.114 1.00 1.12 C ATOM 1423 CG1 VAL A 96 -4.033 4.728 2.406 1.00 72.22 C ATOM 1424 CG2 VAL A 96 -6.309 4.717 1.273 1.00 4.43 C ATOM 0 H VAL A 96 -6.321 7.233 1.759 1.00 25.20 H new ATOM 0 HA VAL A 96 -3.551 6.808 0.811 1.00 11.52 H new ATOM 0 HB VAL A 96 -4.406 4.471 0.301 1.00 1.12 H new ATOM 0 HG11 VAL A 96 -4.190 3.679 2.656 1.00 72.22 H new ATOM 0 HG12 VAL A 96 -2.970 4.909 2.250 1.00 72.22 H new ATOM 0 HG13 VAL A 96 -4.391 5.353 3.224 1.00 72.22 H new ATOM 0 HG21 VAL A 96 -6.406 3.667 1.551 1.00 4.43 H new ATOM 0 HG22 VAL A 96 -6.751 5.340 2.051 1.00 4.43 H new ATOM 0 HG23 VAL A 96 -6.827 4.892 0.330 1.00 4.43 H new ATOM 1434 N TYR A 97 -4.072 6.942 -1.637 1.00 53.03 N ATOM 1435 CA TYR A 97 -4.271 7.246 -3.059 1.00 1.22 C ATOM 1436 C TYR A 97 -3.935 6.028 -3.939 1.00 61.24 C ATOM 1437 O TYR A 97 -2.921 5.349 -3.732 1.00 72.32 O ATOM 1438 CB TYR A 97 -3.374 8.446 -3.470 1.00 32.33 C ATOM 1439 CG TYR A 97 -3.604 9.730 -2.644 1.00 70.11 C ATOM 1440 CD1 TYR A 97 -4.616 10.634 -2.979 1.00 41.24 C ATOM 1441 CD2 TYR A 97 -2.819 10.023 -1.523 1.00 53.42 C ATOM 1442 CE1 TYR A 97 -4.821 11.786 -2.241 1.00 32.34 C ATOM 1443 CE2 TYR A 97 -3.025 11.174 -0.786 1.00 21.30 C ATOM 1444 CZ TYR A 97 -4.029 12.048 -1.144 1.00 21.33 C ATOM 1445 OH TYR A 97 -4.224 13.206 -0.414 1.00 74.11 O ATOM 0 H TYR A 97 -3.090 6.825 -1.386 1.00 53.03 H new ATOM 0 HA TYR A 97 -5.320 7.500 -3.209 1.00 1.22 H new ATOM 0 HB2 TYR A 97 -2.329 8.151 -3.376 1.00 32.33 H new ATOM 0 HB3 TYR A 97 -3.548 8.670 -4.522 1.00 32.33 H new ATOM 0 HD1 TYR A 97 -5.249 10.429 -3.829 1.00 41.24 H new ATOM 0 HD2 TYR A 97 -2.038 9.337 -1.229 1.00 53.42 H new ATOM 0 HE1 TYR A 97 -5.600 12.479 -2.524 1.00 32.34 H new ATOM 0 HE2 TYR A 97 -2.401 11.388 0.069 1.00 21.30 H new ATOM 0 HH TYR A 97 -3.375 13.689 -0.335 1.00 74.11 H new ATOM 1455 N MET A 98 -4.812 5.757 -4.909 1.00 23.02 N ATOM 1456 CA MET A 98 -4.530 4.838 -6.017 1.00 23.10 C ATOM 1457 C MET A 98 -4.004 5.675 -7.208 1.00 43.34 C ATOM 1458 O MET A 98 -4.689 6.595 -7.667 1.00 11.52 O ATOM 1459 CB MET A 98 -5.811 4.058 -6.388 1.00 71.34 C ATOM 1460 CG MET A 98 -5.622 3.023 -7.497 1.00 50.33 C ATOM 1461 SD MET A 98 -7.158 2.205 -7.976 1.00 34.02 S ATOM 1462 CE MET A 98 -8.129 3.578 -8.600 1.00 31.22 C ATOM 0 H MET A 98 -5.743 6.171 -4.949 1.00 23.02 H new ATOM 0 HA MET A 98 -3.775 4.104 -5.735 1.00 23.10 H new ATOM 0 HB2 MET A 98 -6.185 3.554 -5.497 1.00 71.34 H new ATOM 0 HB3 MET A 98 -6.577 4.769 -6.698 1.00 71.34 H new ATOM 0 HG2 MET A 98 -5.190 3.511 -8.371 1.00 50.33 H new ATOM 0 HG3 MET A 98 -4.906 2.271 -7.165 1.00 50.33 H new ATOM 0 HE1 MET A 98 -8.607 3.290 -9.536 1.00 31.22 H new ATOM 0 HE2 MET A 98 -8.893 3.845 -7.870 1.00 31.22 H new ATOM 0 HE3 MET A 98 -7.478 4.435 -8.774 1.00 31.22 H new ATOM 1472 N VAL A 99 -2.777 5.380 -7.679 1.00 21.52 N ATOM 1473 CA VAL A 99 -2.054 6.234 -8.666 1.00 54.21 C ATOM 1474 C VAL A 99 -1.616 5.450 -9.932 1.00 71.41 C ATOM 1475 O VAL A 99 -1.704 4.225 -9.981 1.00 64.13 O ATOM 1476 CB VAL A 99 -0.796 6.920 -7.993 1.00 70.33 C ATOM 1477 CG1 VAL A 99 -1.223 7.947 -6.905 1.00 73.03 C ATOM 1478 CG2 VAL A 99 0.185 5.860 -7.410 1.00 12.22 C ATOM 0 H VAL A 99 -2.255 4.551 -7.394 1.00 21.52 H new ATOM 0 HA VAL A 99 -2.759 7.000 -8.988 1.00 54.21 H new ATOM 0 HB VAL A 99 -0.267 7.466 -8.774 1.00 70.33 H new ATOM 0 HG11 VAL A 99 -0.335 8.399 -6.463 1.00 73.03 H new ATOM 0 HG12 VAL A 99 -1.838 8.724 -7.359 1.00 73.03 H new ATOM 0 HG13 VAL A 99 -1.795 7.438 -6.129 1.00 73.03 H new ATOM 0 HG21 VAL A 99 1.038 6.364 -6.955 1.00 12.22 H new ATOM 0 HG22 VAL A 99 -0.329 5.265 -6.655 1.00 12.22 H new ATOM 0 HG23 VAL A 99 0.534 5.208 -8.211 1.00 12.22 H new ATOM 1488 N ASP A 100 -1.152 6.193 -10.963 1.00 62.44 N ATOM 1489 CA ASP A 100 -0.578 5.602 -12.202 1.00 4.43 C ATOM 1490 C ASP A 100 0.702 6.367 -12.640 1.00 72.34 C ATOM 1491 O ASP A 100 0.717 7.600 -12.689 1.00 33.34 O ATOM 1492 CB ASP A 100 -1.639 5.570 -13.338 1.00 34.12 C ATOM 1493 CG ASP A 100 -2.014 6.954 -13.896 1.00 62.22 C ATOM 1494 OD1 ASP A 100 -2.603 7.752 -13.154 1.00 40.43 O ATOM 1495 OD2 ASP A 100 -1.736 7.233 -15.085 1.00 61.05 O ATOM 0 H ASP A 100 -1.163 7.213 -10.964 1.00 62.44 H new ATOM 0 HA ASP A 100 -0.288 4.573 -11.989 1.00 4.43 H new ATOM 0 HB2 ASP A 100 -1.262 4.953 -14.154 1.00 34.12 H new ATOM 0 HB3 ASP A 100 -2.541 5.086 -12.963 1.00 34.12 H new ATOM 1500 N TYR A 101 1.767 5.620 -12.968 1.00 1.30 N ATOM 1501 CA TYR A 101 3.109 6.179 -13.264 1.00 12.14 C ATOM 1502 C TYR A 101 3.809 5.390 -14.392 1.00 41.30 C ATOM 1503 O TYR A 101 3.283 4.402 -14.908 1.00 40.12 O ATOM 1504 CB TYR A 101 3.991 6.169 -11.971 1.00 15.22 C ATOM 1505 CG TYR A 101 4.199 4.778 -11.328 1.00 1.42 C ATOM 1506 CD1 TYR A 101 3.310 4.283 -10.366 1.00 53.53 C ATOM 1507 CD2 TYR A 101 5.272 3.954 -11.696 1.00 44.44 C ATOM 1508 CE1 TYR A 101 3.489 3.041 -9.797 1.00 53.03 C ATOM 1509 CE2 TYR A 101 5.449 2.708 -11.122 1.00 60.23 C ATOM 1510 CZ TYR A 101 4.551 2.254 -10.178 1.00 34.33 C ATOM 1511 OH TYR A 101 4.715 1.005 -9.608 1.00 4.50 O ATOM 0 H TYR A 101 1.728 4.603 -13.038 1.00 1.30 H new ATOM 0 HA TYR A 101 2.980 7.207 -13.603 1.00 12.14 H new ATOM 0 HB2 TYR A 101 4.967 6.590 -12.213 1.00 15.22 H new ATOM 0 HB3 TYR A 101 3.534 6.828 -11.233 1.00 15.22 H new ATOM 0 HD1 TYR A 101 2.467 4.887 -10.064 1.00 53.53 H new ATOM 0 HD2 TYR A 101 5.973 4.299 -12.442 1.00 44.44 H new ATOM 0 HE1 TYR A 101 2.794 2.685 -9.051 1.00 53.03 H new ATOM 0 HE2 TYR A 101 6.288 2.092 -11.412 1.00 60.23 H new ATOM 0 HH TYR A 101 4.930 1.105 -8.657 1.00 4.50 H new ATOM 1521 N THR A 102 5.012 5.854 -14.765 1.00 74.31 N ATOM 1522 CA THR A 102 5.935 5.111 -15.654 1.00 11.20 C ATOM 1523 C THR A 102 7.247 4.860 -14.886 1.00 35.55 C ATOM 1524 O THR A 102 7.899 5.813 -14.452 1.00 21.12 O ATOM 1525 CB THR A 102 6.226 5.889 -16.985 1.00 54.21 C ATOM 1526 OG1 THR A 102 4.988 6.168 -17.664 1.00 2.24 O ATOM 1527 CG2 THR A 102 7.154 5.103 -17.937 1.00 61.41 C ATOM 0 H THR A 102 5.378 6.756 -14.461 1.00 74.31 H new ATOM 0 HA THR A 102 5.467 4.168 -15.937 1.00 11.20 H new ATOM 0 HB THR A 102 6.733 6.814 -16.711 1.00 54.21 H new ATOM 0 HG1 THR A 102 5.173 6.655 -18.494 1.00 2.24 H new ATOM 0 HG21 THR A 102 7.324 5.685 -18.843 1.00 61.41 H new ATOM 0 HG22 THR A 102 8.107 4.915 -17.443 1.00 61.41 H new ATOM 0 HG23 THR A 102 6.687 4.153 -18.198 1.00 61.41 H new ATOM 1535 N SER A 103 7.600 3.577 -14.690 1.00 22.15 N ATOM 1536 CA SER A 103 8.808 3.171 -13.937 1.00 60.32 C ATOM 1537 C SER A 103 10.115 3.695 -14.589 1.00 2.34 C ATOM 1538 O SER A 103 10.287 3.610 -15.804 1.00 34.23 O ATOM 1539 CB SER A 103 8.860 1.631 -13.800 1.00 11.45 C ATOM 1540 OG SER A 103 7.732 1.139 -13.089 1.00 31.12 O ATOM 0 H SER A 103 7.058 2.790 -15.048 1.00 22.15 H new ATOM 0 HA SER A 103 8.738 3.623 -12.947 1.00 60.32 H new ATOM 0 HB2 SER A 103 8.896 1.176 -14.790 1.00 11.45 H new ATOM 0 HB3 SER A 103 9.774 1.340 -13.283 1.00 11.45 H new ATOM 0 HG SER A 103 7.790 0.163 -13.019 1.00 31.12 H new ATOM 1546 N THR A 104 11.015 4.240 -13.754 1.00 34.23 N ATOM 1547 CA THR A 104 12.311 4.813 -14.183 1.00 53.42 C ATOM 1548 C THR A 104 13.261 3.736 -14.775 1.00 72.21 C ATOM 1549 O THR A 104 13.835 3.921 -15.855 1.00 22.41 O ATOM 1550 CB THR A 104 13.020 5.515 -12.974 1.00 62.32 C ATOM 1551 OG1 THR A 104 13.251 4.553 -11.926 1.00 32.42 O ATOM 1552 CG2 THR A 104 12.187 6.685 -12.407 1.00 2.53 C ATOM 0 H THR A 104 10.865 4.298 -12.747 1.00 34.23 H new ATOM 0 HA THR A 104 12.094 5.541 -14.965 1.00 53.42 H new ATOM 0 HB THR A 104 13.963 5.921 -13.340 1.00 62.32 H new ATOM 0 HG1 THR A 104 13.696 4.992 -11.171 1.00 32.42 H new ATOM 0 HG21 THR A 104 12.719 7.139 -11.571 1.00 2.53 H new ATOM 0 HG22 THR A 104 12.030 7.431 -13.186 1.00 2.53 H new ATOM 0 HG23 THR A 104 11.223 6.312 -12.063 1.00 2.53 H new ATOM 1560 N THR A 105 13.399 2.605 -14.056 1.00 1.44 N ATOM 1561 CA THR A 105 14.301 1.491 -14.447 1.00 11.44 C ATOM 1562 C THR A 105 13.718 0.652 -15.610 1.00 43.23 C ATOM 1563 O THR A 105 14.390 0.403 -16.616 1.00 53.42 O ATOM 1564 CB THR A 105 14.593 0.541 -13.231 1.00 31.01 C ATOM 1565 OG1 THR A 105 13.367 -0.059 -12.766 1.00 32.13 O ATOM 1566 CG2 THR A 105 15.268 1.290 -12.065 1.00 3.24 C ATOM 0 H THR A 105 12.891 2.433 -13.188 1.00 1.44 H new ATOM 0 HA THR A 105 15.230 1.953 -14.780 1.00 11.44 H new ATOM 0 HB THR A 105 15.278 -0.232 -13.580 1.00 31.01 H new ATOM 0 HG1 THR A 105 13.559 -0.651 -12.009 1.00 32.13 H new ATOM 0 HG21 THR A 105 15.452 0.596 -11.245 1.00 3.24 H new ATOM 0 HG22 THR A 105 16.215 1.712 -12.403 1.00 3.24 H new ATOM 0 HG23 THR A 105 14.615 2.092 -11.722 1.00 3.24 H new ATOM 1574 N SER A 106 12.455 0.222 -15.451 1.00 33.50 N ATOM 1575 CA SER A 106 11.762 -0.664 -16.422 1.00 52.14 C ATOM 1576 C SER A 106 11.315 0.086 -17.701 1.00 72.10 C ATOM 1577 O SER A 106 11.310 -0.488 -18.796 1.00 75.21 O ATOM 1578 CB SER A 106 10.533 -1.316 -15.741 1.00 5.12 C ATOM 1579 OG SER A 106 10.916 -2.043 -14.582 1.00 21.42 O ATOM 0 H SER A 106 11.879 0.475 -14.648 1.00 33.50 H new ATOM 0 HA SER A 106 12.475 -1.428 -16.731 1.00 52.14 H new ATOM 0 HB2 SER A 106 9.813 -0.545 -15.469 1.00 5.12 H new ATOM 0 HB3 SER A 106 10.035 -1.983 -16.444 1.00 5.12 H new ATOM 0 HG SER A 106 10.122 -2.443 -14.170 1.00 21.42 H new ATOM 1585 N GLY A 107 10.943 1.373 -17.546 1.00 71.43 N ATOM 1586 CA GLY A 107 10.339 2.161 -18.640 1.00 15.21 C ATOM 1587 C GLY A 107 8.885 1.766 -18.950 1.00 2.21 C ATOM 1588 O GLY A 107 8.321 2.185 -19.966 1.00 53.04 O ATOM 0 H GLY A 107 11.050 1.889 -16.673 1.00 71.43 H new ATOM 0 HA2 GLY A 107 10.372 3.218 -18.377 1.00 15.21 H new ATOM 0 HA3 GLY A 107 10.941 2.038 -19.541 1.00 15.21 H new ATOM 1592 N GLU A 108 8.278 0.961 -18.055 1.00 2.32 N ATOM 1593 CA GLU A 108 6.915 0.414 -18.238 1.00 53.35 C ATOM 1594 C GLU A 108 5.873 1.223 -17.429 1.00 50.32 C ATOM 1595 O GLU A 108 6.125 1.612 -16.289 1.00 4.34 O ATOM 1596 CB GLU A 108 6.881 -1.089 -17.824 1.00 40.24 C ATOM 1597 CG GLU A 108 5.531 -1.810 -18.068 1.00 55.51 C ATOM 1598 CD GLU A 108 5.094 -1.814 -19.548 1.00 65.03 C ATOM 1599 OE1 GLU A 108 5.495 -2.727 -20.300 1.00 65.02 O ATOM 1600 OE2 GLU A 108 4.349 -0.897 -19.972 1.00 71.30 O ATOM 0 H GLU A 108 8.719 0.670 -17.182 1.00 2.32 H new ATOM 0 HA GLU A 108 6.654 0.497 -19.293 1.00 53.35 H new ATOM 0 HB2 GLU A 108 7.661 -1.618 -18.371 1.00 40.24 H new ATOM 0 HB3 GLU A 108 7.128 -1.163 -16.765 1.00 40.24 H new ATOM 0 HG2 GLU A 108 5.609 -2.839 -17.718 1.00 55.51 H new ATOM 0 HG3 GLU A 108 4.757 -1.328 -17.470 1.00 55.51 H new ATOM 1607 N LYS A 109 4.694 1.446 -18.038 1.00 31.22 N ATOM 1608 CA LYS A 109 3.570 2.167 -17.406 1.00 75.44 C ATOM 1609 C LYS A 109 2.765 1.227 -16.461 1.00 1.30 C ATOM 1610 O LYS A 109 2.162 0.237 -16.896 1.00 22.52 O ATOM 1611 CB LYS A 109 2.646 2.799 -18.495 1.00 72.45 C ATOM 1612 CG LYS A 109 2.194 1.818 -19.605 1.00 1.42 C ATOM 1613 CD LYS A 109 1.127 2.405 -20.554 1.00 53.44 C ATOM 1614 CE LYS A 109 0.702 1.403 -21.641 1.00 24.31 C ATOM 1615 NZ LYS A 109 0.247 0.109 -21.068 1.00 70.25 N ATOM 0 H LYS A 109 4.492 1.130 -18.987 1.00 31.22 H new ATOM 0 HA LYS A 109 3.978 2.974 -16.797 1.00 75.44 H new ATOM 0 HB2 LYS A 109 1.761 3.209 -18.008 1.00 72.45 H new ATOM 0 HB3 LYS A 109 3.171 3.634 -18.958 1.00 72.45 H new ATOM 0 HG2 LYS A 109 3.064 1.520 -20.190 1.00 1.42 H new ATOM 0 HG3 LYS A 109 1.797 0.915 -19.141 1.00 1.42 H new ATOM 0 HD2 LYS A 109 0.253 2.703 -19.975 1.00 53.44 H new ATOM 0 HD3 LYS A 109 1.519 3.306 -21.026 1.00 53.44 H new ATOM 0 HE2 LYS A 109 -0.101 1.836 -22.237 1.00 24.31 H new ATOM 0 HE3 LYS A 109 1.540 1.225 -22.315 1.00 24.31 H new ATOM 0 HZ1 LYS A 109 -0.216 -0.455 -21.809 1.00 70.25 H new ATOM 0 HZ2 LYS A 109 1.066 -0.413 -20.696 1.00 70.25 H new ATOM 0 HZ3 LYS A 109 -0.428 0.289 -20.297 1.00 70.25 H new ATOM 1629 N VAL A 110 2.785 1.543 -15.159 1.00 22.14 N ATOM 1630 CA VAL A 110 2.018 0.817 -14.122 1.00 24.54 C ATOM 1631 C VAL A 110 0.797 1.665 -13.693 1.00 42.33 C ATOM 1632 O VAL A 110 0.956 2.792 -13.227 1.00 54.24 O ATOM 1633 CB VAL A 110 2.917 0.485 -12.871 1.00 63.42 C ATOM 1634 CG1 VAL A 110 2.094 -0.160 -11.721 1.00 31.34 C ATOM 1635 CG2 VAL A 110 4.123 -0.410 -13.271 1.00 31.11 C ATOM 0 H VAL A 110 3.337 2.316 -14.787 1.00 22.14 H new ATOM 0 HA VAL A 110 1.676 -0.128 -14.545 1.00 24.54 H new ATOM 0 HB VAL A 110 3.309 1.430 -12.494 1.00 63.42 H new ATOM 0 HG11 VAL A 110 2.752 -0.373 -10.878 1.00 31.34 H new ATOM 0 HG12 VAL A 110 1.310 0.528 -11.405 1.00 31.34 H new ATOM 0 HG13 VAL A 110 1.643 -1.088 -12.073 1.00 31.34 H new ATOM 0 HG21 VAL A 110 4.726 -0.623 -12.389 1.00 31.11 H new ATOM 0 HG22 VAL A 110 3.757 -1.345 -13.695 1.00 31.11 H new ATOM 0 HG23 VAL A 110 4.733 0.110 -14.010 1.00 31.11 H new ATOM 1645 N LYS A 111 -0.416 1.100 -13.832 1.00 61.31 N ATOM 1646 CA LYS A 111 -1.681 1.804 -13.494 1.00 45.43 C ATOM 1647 C LYS A 111 -2.364 1.170 -12.259 1.00 12.32 C ATOM 1648 O LYS A 111 -2.060 0.027 -11.890 1.00 73.53 O ATOM 1649 CB LYS A 111 -2.655 1.811 -14.702 1.00 74.11 C ATOM 1650 CG LYS A 111 -3.050 0.416 -15.225 1.00 5.50 C ATOM 1651 CD LYS A 111 -4.212 0.434 -16.257 1.00 32.12 C ATOM 1652 CE LYS A 111 -3.916 1.237 -17.551 1.00 0.54 C ATOM 1653 NZ LYS A 111 -4.179 2.700 -17.405 1.00 54.53 N ATOM 0 H LYS A 111 -0.554 0.151 -14.178 1.00 61.31 H new ATOM 0 HA LYS A 111 -1.425 2.835 -13.250 1.00 45.43 H new ATOM 0 HB2 LYS A 111 -3.561 2.346 -14.417 1.00 74.11 H new ATOM 0 HB3 LYS A 111 -2.197 2.372 -15.516 1.00 74.11 H new ATOM 0 HG2 LYS A 111 -2.178 -0.049 -15.684 1.00 5.50 H new ATOM 0 HG3 LYS A 111 -3.338 -0.210 -14.380 1.00 5.50 H new ATOM 0 HD2 LYS A 111 -4.453 -0.593 -16.530 1.00 32.12 H new ATOM 0 HD3 LYS A 111 -5.098 0.853 -15.780 1.00 32.12 H new ATOM 0 HE2 LYS A 111 -2.874 1.088 -17.834 1.00 0.54 H new ATOM 0 HE3 LYS A 111 -4.527 0.843 -18.364 1.00 0.54 H new ATOM 0 HZ1 LYS A 111 -4.575 3.072 -18.292 1.00 54.53 H new ATOM 0 HZ2 LYS A 111 -4.856 2.855 -16.631 1.00 54.53 H new ATOM 0 HZ3 LYS A 111 -3.289 3.193 -17.190 1.00 54.53 H new ATOM 1667 N ASN A 112 -3.273 1.949 -11.626 1.00 63.43 N ATOM 1668 CA ASN A 112 -4.095 1.501 -10.462 1.00 21.31 C ATOM 1669 C ASN A 112 -3.231 0.992 -9.270 1.00 40.11 C ATOM 1670 O ASN A 112 -3.685 0.159 -8.470 1.00 2.43 O ATOM 1671 CB ASN A 112 -5.129 0.417 -10.906 1.00 65.02 C ATOM 1672 CG ASN A 112 -6.137 0.939 -11.929 1.00 55.42 C ATOM 1673 OD1 ASN A 112 -5.920 0.880 -13.137 1.00 31.52 O ATOM 1674 ND2 ASN A 112 -7.252 1.457 -11.454 1.00 11.04 N ATOM 0 H ASN A 112 -3.462 2.912 -11.905 1.00 63.43 H new ATOM 0 HA ASN A 112 -4.634 2.377 -10.100 1.00 21.31 H new ATOM 0 HB2 ASN A 112 -4.596 -0.434 -11.330 1.00 65.02 H new ATOM 0 HB3 ASN A 112 -5.665 0.053 -10.029 1.00 65.02 H new ATOM 0 HD21 ASN A 112 -7.959 1.820 -12.094 1.00 11.04 H new ATOM 0 HD22 ASN A 112 -7.408 1.494 -10.447 1.00 11.04 H new ATOM 1681 N HIS A 113 -2.004 1.533 -9.143 1.00 3.10 N ATOM 1682 CA HIS A 113 -1.050 1.154 -8.078 1.00 63.42 C ATOM 1683 C HIS A 113 -1.575 1.535 -6.669 1.00 52.44 C ATOM 1684 O HIS A 113 -2.106 2.630 -6.463 1.00 35.43 O ATOM 1685 CB HIS A 113 0.332 1.805 -8.328 1.00 41.15 C ATOM 1686 CG HIS A 113 1.375 1.408 -7.305 1.00 3.32 C ATOM 1687 ND1 HIS A 113 2.022 0.201 -7.386 1.00 42.25 N ATOM 1688 CD2 HIS A 113 1.783 2.049 -6.176 1.00 53.21 C ATOM 1689 CE1 HIS A 113 2.789 0.129 -6.317 1.00 34.54 C ATOM 1690 NE2 HIS A 113 2.678 1.222 -5.554 1.00 34.51 N ATOM 0 H HIS A 113 -1.644 2.247 -9.776 1.00 3.10 H new ATOM 0 HA HIS A 113 -0.943 0.070 -8.110 1.00 63.42 H new ATOM 0 HB2 HIS A 113 0.683 1.526 -9.322 1.00 41.15 H new ATOM 0 HB3 HIS A 113 0.221 2.889 -8.322 1.00 41.15 H new ATOM 0 HD1 HIS A 113 1.928 -0.498 -8.123 1.00 42.25 H new ATOM 0 HD2 HIS A 113 1.462 3.023 -5.836 1.00 53.21 H new ATOM 0 HE1 HIS A 113 3.429 -0.710 -6.085 1.00 34.54 H new ATOM 1698 N LYS A 114 -1.387 0.614 -5.709 1.00 54.24 N ATOM 1699 CA LYS A 114 -1.918 0.746 -4.337 1.00 3.12 C ATOM 1700 C LYS A 114 -1.085 -0.090 -3.303 1.00 62.21 C ATOM 1701 O LYS A 114 -0.533 -1.127 -3.665 1.00 52.15 O ATOM 1702 CB LYS A 114 -3.411 0.301 -4.337 1.00 42.04 C ATOM 1703 CG LYS A 114 -3.675 -1.089 -4.960 1.00 65.21 C ATOM 1704 CD LYS A 114 -5.132 -1.577 -4.764 1.00 5.35 C ATOM 1705 CE LYS A 114 -6.165 -0.691 -5.483 1.00 74.21 C ATOM 1706 NZ LYS A 114 -5.984 -0.685 -6.960 1.00 5.33 N ATOM 0 H LYS A 114 -0.861 -0.247 -5.861 1.00 54.24 H new ATOM 0 HA LYS A 114 -1.840 1.788 -4.027 1.00 3.12 H new ATOM 0 HB2 LYS A 114 -3.774 0.297 -3.309 1.00 42.04 H new ATOM 0 HB3 LYS A 114 -3.996 1.043 -4.879 1.00 42.04 H new ATOM 0 HG2 LYS A 114 -3.451 -1.051 -6.026 1.00 65.21 H new ATOM 0 HG3 LYS A 114 -2.993 -1.814 -4.517 1.00 65.21 H new ATOM 0 HD2 LYS A 114 -5.220 -2.599 -5.132 1.00 5.35 H new ATOM 0 HD3 LYS A 114 -5.361 -1.601 -3.699 1.00 5.35 H new ATOM 0 HE2 LYS A 114 -7.169 -1.043 -5.245 1.00 74.21 H new ATOM 0 HE3 LYS A 114 -6.088 0.329 -5.107 1.00 74.21 H new ATOM 0 HZ1 LYS A 114 -6.612 0.027 -7.384 1.00 5.33 H new ATOM 0 HZ2 LYS A 114 -4.996 -0.454 -7.188 1.00 5.33 H new ATOM 0 HZ3 LYS A 114 -6.217 -1.624 -7.342 1.00 5.33 H new ATOM 1720 N TRP A 115 -0.959 0.349 -2.012 1.00 24.32 N ATOM 1721 CA TRP A 115 -1.412 1.678 -1.500 1.00 51.33 C ATOM 1722 C TRP A 115 -0.229 2.593 -1.095 1.00 10.41 C ATOM 1723 O TRP A 115 0.791 2.137 -0.567 1.00 60.34 O ATOM 1724 CB TRP A 115 -2.368 1.519 -0.281 1.00 64.33 C ATOM 1725 CG TRP A 115 -3.692 0.880 -0.613 1.00 54.42 C ATOM 1726 CD1 TRP A 115 -4.110 -0.392 -0.318 1.00 63.12 C ATOM 1727 CD2 TRP A 115 -4.765 1.500 -1.329 1.00 73.01 C ATOM 1728 NE1 TRP A 115 -5.375 -0.590 -0.810 1.00 62.53 N ATOM 1729 CE2 TRP A 115 -5.795 0.553 -1.440 1.00 24.52 C ATOM 1730 CE3 TRP A 115 -4.947 2.769 -1.897 1.00 62.30 C ATOM 1731 CZ2 TRP A 115 -6.992 0.833 -2.089 1.00 62.52 C ATOM 1732 CZ3 TRP A 115 -6.131 3.043 -2.540 1.00 42.32 C ATOM 1733 CH2 TRP A 115 -7.141 2.077 -2.633 1.00 44.41 C ATOM 0 H TRP A 115 -0.531 -0.225 -1.286 1.00 24.32 H new ATOM 0 HA TRP A 115 -1.945 2.150 -2.326 1.00 51.33 H new ATOM 0 HB2 TRP A 115 -1.870 0.921 0.482 1.00 64.33 H new ATOM 0 HB3 TRP A 115 -2.551 2.502 0.154 1.00 64.33 H new ATOM 0 HD1 TRP A 115 -3.531 -1.127 0.221 1.00 63.12 H new ATOM 0 HE1 TRP A 115 -5.916 -1.450 -0.721 1.00 62.53 H new ATOM 0 HE3 TRP A 115 -4.171 3.518 -1.831 1.00 62.30 H new ATOM 0 HZ2 TRP A 115 -7.776 0.094 -2.161 1.00 62.52 H new ATOM 0 HZ3 TRP A 115 -6.285 4.017 -2.980 1.00 42.32 H new ATOM 0 HH2 TRP A 115 -8.059 2.321 -3.147 1.00 44.41 H new ATOM 1744 N VAL A 116 -0.420 3.896 -1.346 1.00 15.52 N ATOM 1745 CA VAL A 116 0.499 4.991 -0.938 1.00 14.33 C ATOM 1746 C VAL A 116 -0.328 6.138 -0.317 1.00 51.11 C ATOM 1747 O VAL A 116 -1.509 6.264 -0.607 1.00 14.41 O ATOM 1748 CB VAL A 116 1.340 5.543 -2.160 1.00 65.24 C ATOM 1749 CG1 VAL A 116 2.359 4.491 -2.681 1.00 11.33 C ATOM 1750 CG2 VAL A 116 0.408 6.027 -3.308 1.00 61.41 C ATOM 0 H VAL A 116 -1.238 4.236 -1.852 1.00 15.52 H new ATOM 0 HA VAL A 116 1.203 4.590 -0.209 1.00 14.33 H new ATOM 0 HB VAL A 116 1.909 6.400 -1.799 1.00 65.24 H new ATOM 0 HG11 VAL A 116 2.916 4.908 -3.520 1.00 11.33 H new ATOM 0 HG12 VAL A 116 3.051 4.227 -1.881 1.00 11.33 H new ATOM 0 HG13 VAL A 116 1.825 3.599 -3.008 1.00 11.33 H new ATOM 0 HG21 VAL A 116 1.013 6.401 -4.134 1.00 61.41 H new ATOM 0 HG22 VAL A 116 -0.205 5.195 -3.654 1.00 61.41 H new ATOM 0 HG23 VAL A 116 -0.238 6.825 -2.941 1.00 61.41 H new ATOM 1760 N THR A 117 0.280 6.947 0.559 1.00 21.34 N ATOM 1761 CA THR A 117 -0.373 8.166 1.123 1.00 43.23 C ATOM 1762 C THR A 117 0.392 9.433 0.720 1.00 73.34 C ATOM 1763 O THR A 117 1.450 9.362 0.090 1.00 74.22 O ATOM 1764 CB THR A 117 -0.493 8.137 2.690 1.00 22.54 C ATOM 1765 OG1 THR A 117 0.797 8.239 3.316 1.00 60.12 O ATOM 1766 CG2 THR A 117 -1.200 6.874 3.180 1.00 3.44 C ATOM 0 H THR A 117 1.228 6.790 0.903 1.00 21.34 H new ATOM 0 HA THR A 117 -1.380 8.176 0.705 1.00 43.23 H new ATOM 0 HB THR A 117 -1.093 9.002 2.973 1.00 22.54 H new ATOM 0 HG1 THR A 117 1.424 7.630 2.874 1.00 60.12 H new ATOM 0 HG21 THR A 117 -1.263 6.891 4.268 1.00 3.44 H new ATOM 0 HG22 THR A 117 -2.204 6.833 2.759 1.00 3.44 H new ATOM 0 HG23 THR A 117 -0.637 5.996 2.863 1.00 3.44 H new ATOM 1774 N GLU A 118 -0.137 10.601 1.135 1.00 13.54 N ATOM 1775 CA GLU A 118 0.491 11.915 0.884 1.00 41.51 C ATOM 1776 C GLU A 118 1.848 12.066 1.642 1.00 43.03 C ATOM 1777 O GLU A 118 2.641 12.963 1.346 1.00 23.03 O ATOM 1778 CB GLU A 118 -0.508 13.031 1.287 1.00 33.05 C ATOM 1779 CG GLU A 118 -0.144 14.449 0.792 1.00 54.35 C ATOM 1780 CD GLU A 118 -1.231 15.495 1.088 1.00 5.32 C ATOM 1781 OE1 GLU A 118 -2.318 15.416 0.472 1.00 24.04 O ATOM 1782 OE2 GLU A 118 -1.025 16.376 1.946 1.00 10.43 O ATOM 0 H GLU A 118 -1.013 10.661 1.654 1.00 13.54 H new ATOM 0 HA GLU A 118 0.723 12.000 -0.178 1.00 41.51 H new ATOM 0 HB2 GLU A 118 -1.494 12.771 0.902 1.00 33.05 H new ATOM 0 HB3 GLU A 118 -0.586 13.052 2.374 1.00 33.05 H new ATOM 0 HG2 GLU A 118 0.789 14.762 1.262 1.00 54.35 H new ATOM 0 HG3 GLU A 118 0.036 14.416 -0.283 1.00 54.35 H new ATOM 1789 N ASP A 119 2.111 11.165 2.616 1.00 50.22 N ATOM 1790 CA ASP A 119 3.393 11.126 3.351 1.00 21.52 C ATOM 1791 C ASP A 119 4.529 10.554 2.454 1.00 11.33 C ATOM 1792 O ASP A 119 5.677 11.004 2.531 1.00 71.24 O ATOM 1793 CB ASP A 119 3.238 10.308 4.658 1.00 35.13 C ATOM 1794 CG ASP A 119 4.455 10.435 5.595 1.00 71.24 C ATOM 1795 OD1 ASP A 119 4.611 11.498 6.235 1.00 11.04 O ATOM 1796 OD2 ASP A 119 5.266 9.493 5.689 1.00 60.05 O ATOM 0 H ASP A 119 1.446 10.451 2.912 1.00 50.22 H new ATOM 0 HA ASP A 119 3.671 12.145 3.621 1.00 21.52 H new ATOM 0 HB2 ASP A 119 2.344 10.641 5.185 1.00 35.13 H new ATOM 0 HB3 ASP A 119 3.087 9.258 4.407 1.00 35.13 H new ATOM 1801 N GLU A 120 4.189 9.573 1.585 1.00 25.14 N ATOM 1802 CA GLU A 120 5.144 8.997 0.596 1.00 71.32 C ATOM 1803 C GLU A 120 5.025 9.690 -0.783 1.00 13.24 C ATOM 1804 O GLU A 120 5.808 9.396 -1.695 1.00 24.22 O ATOM 1805 CB GLU A 120 4.936 7.464 0.412 1.00 51.22 C ATOM 1806 CG GLU A 120 5.094 6.610 1.696 1.00 50.20 C ATOM 1807 CD GLU A 120 3.863 6.634 2.609 1.00 44.10 C ATOM 1808 OE1 GLU A 120 2.751 6.475 2.082 1.00 60.35 O ATOM 1809 OE2 GLU A 120 3.997 6.819 3.841 1.00 23.43 O ATOM 0 H GLU A 120 3.257 9.159 1.545 1.00 25.14 H new ATOM 0 HA GLU A 120 6.141 9.173 1.001 1.00 71.32 H new ATOM 0 HB2 GLU A 120 3.938 7.297 0.006 1.00 51.22 H new ATOM 0 HB3 GLU A 120 5.647 7.105 -0.332 1.00 51.22 H new ATOM 0 HG2 GLU A 120 5.304 5.579 1.412 1.00 50.20 H new ATOM 0 HG3 GLU A 120 5.958 6.969 2.256 1.00 50.20 H new ATOM 1816 N LEU A 121 4.046 10.605 -0.937 1.00 64.20 N ATOM 1817 CA LEU A 121 3.825 11.342 -2.199 1.00 2.32 C ATOM 1818 C LEU A 121 4.248 12.819 -2.057 1.00 63.43 C ATOM 1819 O LEU A 121 3.941 13.490 -1.074 1.00 35.15 O ATOM 1820 CB LEU A 121 2.338 11.256 -2.659 1.00 51.11 C ATOM 1821 CG LEU A 121 1.844 9.856 -3.155 1.00 71.42 C ATOM 1822 CD1 LEU A 121 0.362 9.916 -3.586 1.00 2.42 C ATOM 1823 CD2 LEU A 121 2.737 9.307 -4.296 1.00 5.04 C ATOM 0 H LEU A 121 3.390 10.853 -0.196 1.00 64.20 H new ATOM 0 HA LEU A 121 4.446 10.870 -2.961 1.00 2.32 H new ATOM 0 HB2 LEU A 121 1.705 11.567 -1.828 1.00 51.11 H new ATOM 0 HB3 LEU A 121 2.187 11.976 -3.463 1.00 51.11 H new ATOM 0 HG LEU A 121 1.925 9.162 -2.318 1.00 71.42 H new ATOM 0 HD11 LEU A 121 0.042 8.931 -3.927 1.00 2.42 H new ATOM 0 HD12 LEU A 121 -0.251 10.224 -2.739 1.00 2.42 H new ATOM 0 HD13 LEU A 121 0.248 10.635 -4.397 1.00 2.42 H new ATOM 0 HD21 LEU A 121 2.363 8.334 -4.614 1.00 5.04 H new ATOM 0 HD22 LEU A 121 2.716 9.997 -5.139 1.00 5.04 H new ATOM 0 HD23 LEU A 121 3.761 9.203 -3.938 1.00 5.04 H new ATOM 1835 N SER A 122 4.969 13.281 -3.063 1.00 75.52 N ATOM 1836 CA SER A 122 5.331 14.694 -3.276 1.00 63.40 C ATOM 1837 C SER A 122 4.411 15.287 -4.354 1.00 71.44 C ATOM 1838 O SER A 122 3.853 14.551 -5.165 1.00 52.33 O ATOM 1839 CB SER A 122 6.803 14.775 -3.748 1.00 60.15 C ATOM 1840 OG SER A 122 7.180 16.089 -4.115 1.00 73.22 O ATOM 0 H SER A 122 5.339 12.668 -3.789 1.00 75.52 H new ATOM 0 HA SER A 122 5.216 15.254 -2.348 1.00 63.40 H new ATOM 0 HB2 SER A 122 7.457 14.421 -2.951 1.00 60.15 H new ATOM 0 HB3 SER A 122 6.946 14.108 -4.598 1.00 60.15 H new ATOM 0 HG SER A 122 8.116 16.092 -4.404 1.00 73.22 H new ATOM 1846 N ALA A 123 4.242 16.608 -4.361 1.00 21.35 N ATOM 1847 CA ALA A 123 3.458 17.306 -5.402 1.00 4.44 C ATOM 1848 C ALA A 123 4.394 18.083 -6.344 1.00 51.40 C ATOM 1849 O ALA A 123 5.552 18.346 -6.008 1.00 44.25 O ATOM 1850 CB ALA A 123 2.437 18.244 -4.751 1.00 24.33 C ATOM 0 H ALA A 123 4.638 17.229 -3.655 1.00 21.35 H new ATOM 0 HA ALA A 123 2.918 16.567 -5.994 1.00 4.44 H new ATOM 0 HB1 ALA A 123 1.865 18.753 -5.526 1.00 24.33 H new ATOM 0 HB2 ALA A 123 1.761 17.665 -4.122 1.00 24.33 H new ATOM 0 HB3 ALA A 123 2.958 18.982 -4.141 1.00 24.33 H new ATOM 1856 N LYS A 124 3.896 18.428 -7.539 1.00 71.42 N ATOM 1857 CA LYS A 124 4.640 19.280 -8.495 1.00 41.12 C ATOM 1858 C LYS A 124 3.942 20.656 -8.636 1.00 64.54 C ATOM 1859 O LYS A 124 2.761 20.778 -8.295 1.00 12.25 O ATOM 1860 CB LYS A 124 4.783 18.554 -9.861 1.00 75.15 C ATOM 1861 CG LYS A 124 5.892 19.112 -10.813 1.00 51.35 C ATOM 1862 CD LYS A 124 7.332 18.579 -10.521 1.00 63.42 C ATOM 1863 CE LYS A 124 7.975 19.132 -9.232 1.00 31.41 C ATOM 1864 NZ LYS A 124 9.305 18.540 -8.963 1.00 3.13 N ATOM 0 H LYS A 124 2.979 18.132 -7.873 1.00 71.42 H new ATOM 0 HA LYS A 124 5.646 19.460 -8.116 1.00 41.12 H new ATOM 0 HB2 LYS A 124 4.989 17.500 -9.672 1.00 75.15 H new ATOM 0 HB3 LYS A 124 3.826 18.604 -10.380 1.00 75.15 H new ATOM 0 HG2 LYS A 124 5.629 18.863 -11.841 1.00 51.35 H new ATOM 0 HG3 LYS A 124 5.900 20.200 -10.741 1.00 51.35 H new ATOM 0 HD2 LYS A 124 7.296 17.492 -10.455 1.00 63.42 H new ATOM 0 HD3 LYS A 124 7.974 18.826 -11.366 1.00 63.42 H new ATOM 0 HE2 LYS A 124 8.073 20.215 -9.314 1.00 31.41 H new ATOM 0 HE3 LYS A 124 7.315 18.934 -8.387 1.00 31.41 H new ATOM 0 HZ1 LYS A 124 9.694 18.944 -8.087 1.00 3.13 H new ATOM 0 HZ2 LYS A 124 9.211 17.510 -8.857 1.00 3.13 H new ATOM 0 HZ3 LYS A 124 9.945 18.750 -9.755 1.00 3.13 H new