USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 996 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 73 HIS : no HD1:sc= -0.11 K(o=0.0091,f=-0.53) USER MOD Set 1.2: A 92 SER OG : rot 90:sc= 0.119 USER MOD Set 2.1: A 62 MET CE :methyl -159:sc= -0.238 (180deg=-1.32) USER MOD Set 2.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 31 LYS NZ :NH3+ 177:sc= 1.11 (180deg=0) USER MOD Set 3.2: A 106 ASN : amide:sc= 0.419 K(o=1.5,f=-8!) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0874 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.03 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 26 THR OG1 : rot -34:sc= 0.826 USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0228) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -31:sc= 1.04 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 143:sc= 1.17 (180deg=0.72) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 74:sc= 1.29 USER MOD Single : A 49 THR OG1 : rot -78:sc= 0.821 USER MOD Single : A 50 MET CE :methyl -147:sc= -0.903 (180deg=-2.07) USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= 1.45 (180deg=1.12!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.151 K(o=0.15,f=-0.5) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -136:sc= 1.24 (180deg=1.05) USER MOD Single : A 71 GLN : amide:sc= -2.05 K(o=-2.1,f=-0.38) USER MOD Single : A 72 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.45) USER MOD Single : A 76 TYR OH : rot 47:sc= 1.07 USER MOD Single : A 77 CYS SG : rot 22:sc= -5.12! USER MOD Single : A 78 SER OG : rot -51:sc= 0.383 USER MOD Single : A 79 ASN : amide:sc= -0.0309 X(o=-0.031,f=-0.021) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0582) USER MOD Single : A 96 HIS : no HE2:sc= -0.63 K(o=-0.63,f=-2.6!) USER MOD Single : A 98 LYS NZ :NH3+ -162:sc= 0.93 (180deg=0.685) USER MOD Single : A 100 TYR OH : rot 57:sc= 1.34 USER MOD Single : A 101 THR OG1 : rot 20:sc= -0.403 USER MOD Single : A 102 MET CE :methyl -174:sc= -0.489 (180deg=-0.592) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 304 THR OG1 : rot 54:sc= 0.0158 USER MOD Single : B 305 THR OG1 : rot -164:sc= 0.782 USER MOD Single : B 308 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 311 SER OG : rot 111:sc= 1.24 USER MOD Single : B 312 SER OG : rot 85:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 3.758 -22.129 8.267 1.00 1.00 N ATOM 2 CA ASN A 3 3.565 -20.948 7.435 1.00 64.21 C ATOM 3 C ASN A 3 4.463 -21.034 6.226 1.00 1.42 C ATOM 4 O ASN A 3 5.682 -20.884 6.326 1.00 73.22 O ATOM 5 CB ASN A 3 3.869 -19.672 8.220 1.00 71.21 C ATOM 6 CG ASN A 3 3.686 -18.398 7.410 1.00 24.41 C ATOM 7 OD1 ASN A 3 2.827 -18.304 6.524 1.00 11.41 O ATOM 8 ND2 ASN A 3 4.491 -17.409 7.700 1.00 41.45 N ATOM 0 HA ASN A 3 2.523 -20.911 7.117 1.00 64.21 H new ATOM 0 HB2 ASN A 3 3.221 -19.632 9.096 1.00 71.21 H new ATOM 0 HB3 ASN A 3 4.895 -19.716 8.585 1.00 71.21 H new ATOM 0 HD21 ASN A 3 4.421 -16.528 7.190 1.00 41.45 H new ATOM 0 HD22 ASN A 3 5.189 -17.518 8.436 1.00 41.45 H new ATOM 17 N THR A 4 3.876 -21.319 5.107 1.00 21.23 N ATOM 18 CA THR A 4 4.585 -21.436 3.876 1.00 20.42 C ATOM 19 C THR A 4 4.986 -20.049 3.382 1.00 62.42 C ATOM 20 O THR A 4 4.158 -19.126 3.358 1.00 2.41 O ATOM 21 CB THR A 4 3.688 -22.133 2.852 1.00 43.05 C ATOM 22 OG1 THR A 4 3.228 -23.364 3.432 1.00 52.05 O ATOM 23 CG2 THR A 4 4.444 -22.437 1.573 1.00 0.45 C ATOM 0 H THR A 4 2.872 -21.480 5.024 1.00 21.23 H new ATOM 0 HA THR A 4 5.490 -22.026 4.019 1.00 20.42 H new ATOM 0 HB THR A 4 2.854 -21.477 2.601 1.00 43.05 H new ATOM 0 HG1 THR A 4 2.648 -23.830 2.794 1.00 52.05 H new ATOM 0 HG21 THR A 4 3.778 -22.932 0.866 1.00 0.45 H new ATOM 0 HG22 THR A 4 4.810 -21.507 1.137 1.00 0.45 H new ATOM 0 HG23 THR A 4 5.288 -23.090 1.796 1.00 0.45 H new ATOM 31 N ASN A 5 6.251 -19.903 3.035 1.00 20.55 N ATOM 32 CA ASN A 5 6.781 -18.640 2.559 1.00 31.42 C ATOM 33 C ASN A 5 6.137 -18.264 1.253 1.00 64.24 C ATOM 34 O ASN A 5 6.245 -18.989 0.254 1.00 43.23 O ATOM 35 CB ASN A 5 8.306 -18.692 2.391 1.00 31.43 C ATOM 36 CG ASN A 5 9.043 -18.913 3.688 1.00 2.30 C ATOM 37 OD1 ASN A 5 9.294 -20.048 4.094 1.00 54.43 O ATOM 38 ND2 ASN A 5 9.415 -17.852 4.341 1.00 40.12 N ATOM 0 H ASN A 5 6.939 -20.655 3.075 1.00 20.55 H new ATOM 0 HA ASN A 5 6.550 -17.884 3.309 1.00 31.42 H new ATOM 0 HB2 ASN A 5 8.561 -19.492 1.696 1.00 31.43 H new ATOM 0 HB3 ASN A 5 8.647 -17.759 1.942 1.00 31.43 H new ATOM 0 HD21 ASN A 5 9.930 -17.946 5.216 1.00 40.12 H new ATOM 0 HD22 ASN A 5 9.192 -16.925 3.978 1.00 40.12 H new ATOM 45 N MET A 6 5.444 -17.160 1.269 1.00 50.32 N ATOM 46 CA MET A 6 4.767 -16.645 0.098 1.00 55.35 C ATOM 47 C MET A 6 5.779 -15.944 -0.780 1.00 55.10 C ATOM 48 O MET A 6 5.625 -15.863 -1.999 1.00 33.22 O ATOM 49 CB MET A 6 3.662 -15.667 0.499 1.00 43.32 C ATOM 50 CG MET A 6 2.559 -16.271 1.351 1.00 31.30 C ATOM 51 SD MET A 6 1.327 -15.046 1.842 1.00 50.44 S ATOM 52 CE MET A 6 0.210 -16.065 2.801 1.00 54.43 C ATOM 0 H MET A 6 5.328 -16.582 2.101 1.00 50.32 H new ATOM 0 HA MET A 6 4.309 -17.472 -0.445 1.00 55.35 H new ATOM 0 HB2 MET A 6 4.111 -14.837 1.045 1.00 43.32 H new ATOM 0 HB3 MET A 6 3.218 -15.251 -0.405 1.00 43.32 H new ATOM 0 HG2 MET A 6 2.071 -17.072 0.796 1.00 31.30 H new ATOM 0 HG3 MET A 6 2.996 -16.721 2.242 1.00 31.30 H new ATOM 0 HE1 MET A 6 -0.610 -15.452 3.177 1.00 54.43 H new ATOM 0 HE2 MET A 6 -0.190 -16.859 2.171 1.00 54.43 H new ATOM 0 HE3 MET A 6 0.749 -16.505 3.641 1.00 54.43 H new ATOM 62 N SER A 7 6.819 -15.468 -0.158 1.00 73.11 N ATOM 63 CA SER A 7 7.881 -14.817 -0.833 1.00 53.24 C ATOM 64 C SER A 7 9.181 -15.458 -0.360 1.00 5.33 C ATOM 65 O SER A 7 9.432 -15.549 0.850 1.00 12.05 O ATOM 66 CB SER A 7 7.846 -13.314 -0.512 1.00 51.30 C ATOM 67 OG SER A 7 8.780 -12.584 -1.292 1.00 14.32 O ATOM 0 H SER A 7 6.946 -15.528 0.852 1.00 73.11 H new ATOM 0 HA SER A 7 7.794 -14.923 -1.914 1.00 53.24 H new ATOM 0 HB2 SER A 7 6.843 -12.928 -0.692 1.00 51.30 H new ATOM 0 HB3 SER A 7 8.061 -13.164 0.546 1.00 51.30 H new ATOM 0 HG SER A 7 8.727 -11.633 -1.061 1.00 14.32 H new ATOM 73 N VAL A 8 9.965 -15.958 -1.286 1.00 21.31 N ATOM 74 CA VAL A 8 11.201 -16.604 -0.944 1.00 5.42 C ATOM 75 C VAL A 8 12.401 -15.763 -1.374 1.00 40.44 C ATOM 76 O VAL A 8 12.337 -15.048 -2.386 1.00 42.14 O ATOM 77 CB VAL A 8 11.306 -18.050 -1.523 1.00 10.22 C ATOM 78 CG1 VAL A 8 10.280 -18.961 -0.876 1.00 74.14 C ATOM 79 CG2 VAL A 8 11.136 -18.063 -3.033 1.00 45.33 C ATOM 0 H VAL A 8 9.764 -15.927 -2.285 1.00 21.31 H new ATOM 0 HA VAL A 8 11.210 -16.695 0.142 1.00 5.42 H new ATOM 0 HB VAL A 8 12.305 -18.420 -1.294 1.00 10.22 H new ATOM 0 HG11 VAL A 8 10.370 -19.964 -1.293 1.00 74.14 H new ATOM 0 HG12 VAL A 8 10.453 -18.998 0.199 1.00 74.14 H new ATOM 0 HG13 VAL A 8 9.279 -18.576 -1.069 1.00 74.14 H new ATOM 0 HG21 VAL A 8 11.215 -19.087 -3.399 1.00 45.33 H new ATOM 0 HG22 VAL A 8 10.157 -17.660 -3.292 1.00 45.33 H new ATOM 0 HG23 VAL A 8 11.913 -17.452 -3.492 1.00 45.33 H new ATOM 89 N PRO A 9 13.497 -15.812 -0.590 1.00 74.40 N ATOM 90 CA PRO A 9 14.752 -15.090 -0.889 1.00 52.31 C ATOM 91 C PRO A 9 15.317 -15.446 -2.274 1.00 2.24 C ATOM 92 O PRO A 9 15.865 -14.597 -2.972 1.00 32.11 O ATOM 93 CB PRO A 9 15.720 -15.575 0.195 1.00 13.22 C ATOM 94 CG PRO A 9 14.859 -16.066 1.308 1.00 22.03 C ATOM 95 CD PRO A 9 13.581 -16.553 0.687 1.00 41.32 C ATOM 0 HA PRO A 9 14.595 -14.011 -0.898 1.00 52.31 H new ATOM 0 HB2 PRO A 9 16.365 -16.369 -0.182 1.00 13.22 H new ATOM 0 HB3 PRO A 9 16.371 -14.767 0.530 1.00 13.22 H new ATOM 0 HG2 PRO A 9 15.354 -16.869 1.854 1.00 22.03 H new ATOM 0 HG3 PRO A 9 14.661 -15.269 2.024 1.00 22.03 H new ATOM 0 HD2 PRO A 9 13.603 -17.630 0.522 1.00 41.32 H new ATOM 0 HD3 PRO A 9 12.723 -16.345 1.326 1.00 41.32 H new ATOM 103 N THR A 10 15.148 -16.690 -2.660 1.00 55.24 N ATOM 104 CA THR A 10 15.615 -17.194 -3.926 1.00 33.05 C ATOM 105 C THR A 10 14.768 -16.649 -5.087 1.00 33.12 C ATOM 106 O THR A 10 15.241 -16.551 -6.238 1.00 40.24 O ATOM 107 CB THR A 10 15.543 -18.720 -3.876 1.00 53.43 C ATOM 108 OG1 THR A 10 14.351 -19.078 -3.147 1.00 13.43 O ATOM 109 CG2 THR A 10 16.762 -19.295 -3.168 1.00 1.43 C ATOM 0 H THR A 10 14.673 -17.391 -2.091 1.00 55.24 H new ATOM 0 HA THR A 10 16.640 -16.867 -4.100 1.00 33.05 H new ATOM 0 HB THR A 10 15.520 -19.122 -4.889 1.00 53.43 H new ATOM 0 HG1 THR A 10 14.277 -20.054 -3.100 1.00 13.43 H new ATOM 0 HG21 THR A 10 16.690 -20.382 -3.144 1.00 1.43 H new ATOM 0 HG22 THR A 10 17.665 -19.003 -3.704 1.00 1.43 H new ATOM 0 HG23 THR A 10 16.805 -18.912 -2.149 1.00 1.43 H new ATOM 117 N ASP A 11 13.521 -16.291 -4.751 1.00 22.24 N ATOM 118 CA ASP A 11 12.475 -15.738 -5.651 1.00 52.52 C ATOM 119 C ASP A 11 11.972 -16.740 -6.687 1.00 21.43 C ATOM 120 O ASP A 11 10.769 -16.903 -6.876 1.00 1.43 O ATOM 121 CB ASP A 11 12.896 -14.417 -6.323 1.00 60.33 C ATOM 122 CG ASP A 11 11.799 -13.844 -7.211 1.00 32.54 C ATOM 123 OD1 ASP A 11 10.823 -13.271 -6.682 1.00 11.52 O ATOM 124 OD2 ASP A 11 11.889 -13.953 -8.445 1.00 72.40 O ATOM 0 H ASP A 11 13.187 -16.381 -3.792 1.00 22.24 H new ATOM 0 HA ASP A 11 11.636 -15.516 -4.991 1.00 52.52 H new ATOM 0 HB2 ASP A 11 13.156 -13.688 -5.555 1.00 60.33 H new ATOM 0 HB3 ASP A 11 13.792 -14.585 -6.920 1.00 60.33 H new ATOM 129 N GLY A 12 12.877 -17.430 -7.298 1.00 24.21 N ATOM 130 CA GLY A 12 12.539 -18.334 -8.352 1.00 13.41 C ATOM 131 C GLY A 12 13.174 -17.869 -9.627 1.00 44.33 C ATOM 132 O GLY A 12 12.654 -18.089 -10.724 1.00 44.55 O ATOM 0 H GLY A 12 13.873 -17.385 -7.082 1.00 24.21 H new ATOM 0 HA2 GLY A 12 12.881 -19.340 -8.108 1.00 13.41 H new ATOM 0 HA3 GLY A 12 11.457 -18.385 -8.469 1.00 13.41 H new ATOM 136 N ALA A 13 14.303 -17.206 -9.482 1.00 25.35 N ATOM 137 CA ALA A 13 15.027 -16.670 -10.598 1.00 53.32 C ATOM 138 C ALA A 13 15.714 -17.784 -11.354 1.00 12.11 C ATOM 139 O ALA A 13 16.356 -18.664 -10.744 1.00 52.51 O ATOM 140 CB ALA A 13 16.035 -15.635 -10.128 1.00 34.21 C ATOM 0 H ALA A 13 14.740 -17.027 -8.578 1.00 25.35 H new ATOM 0 HA ALA A 13 14.325 -16.178 -11.271 1.00 53.32 H new ATOM 0 HB1 ALA A 13 16.576 -15.238 -10.987 1.00 34.21 H new ATOM 0 HB2 ALA A 13 15.513 -14.823 -9.621 1.00 34.21 H new ATOM 0 HB3 ALA A 13 16.740 -16.100 -9.439 1.00 34.21 H new ATOM 146 N VAL A 14 15.558 -17.781 -12.655 1.00 54.25 N ATOM 147 CA VAL A 14 16.177 -18.776 -13.487 1.00 44.45 C ATOM 148 C VAL A 14 17.644 -18.445 -13.767 1.00 64.41 C ATOM 149 O VAL A 14 18.015 -17.943 -14.826 1.00 53.45 O ATOM 150 CB VAL A 14 15.377 -19.088 -14.798 1.00 44.03 C ATOM 151 CG1 VAL A 14 14.072 -19.792 -14.460 1.00 13.21 C ATOM 152 CG2 VAL A 14 15.078 -17.815 -15.594 1.00 42.41 C ATOM 0 H VAL A 14 15.002 -17.092 -13.162 1.00 54.25 H new ATOM 0 HA VAL A 14 16.154 -19.702 -12.912 1.00 44.45 H new ATOM 0 HB VAL A 14 15.998 -19.738 -15.415 1.00 44.03 H new ATOM 0 HG11 VAL A 14 13.524 -20.004 -15.378 1.00 13.21 H new ATOM 0 HG12 VAL A 14 14.286 -20.727 -13.942 1.00 13.21 H new ATOM 0 HG13 VAL A 14 13.469 -19.151 -13.817 1.00 13.21 H new ATOM 0 HG21 VAL A 14 14.522 -18.072 -16.496 1.00 42.41 H new ATOM 0 HG22 VAL A 14 14.484 -17.135 -14.983 1.00 42.41 H new ATOM 0 HG23 VAL A 14 16.014 -17.330 -15.871 1.00 42.41 H new ATOM 162 N THR A 15 18.463 -18.693 -12.779 1.00 62.35 N ATOM 163 CA THR A 15 19.887 -18.473 -12.867 1.00 70.21 C ATOM 164 C THR A 15 20.576 -19.739 -13.374 1.00 24.34 C ATOM 165 O THR A 15 21.746 -19.969 -13.124 1.00 4.22 O ATOM 166 CB THR A 15 20.444 -18.062 -11.483 1.00 71.00 C ATOM 167 OG1 THR A 15 19.974 -18.976 -10.458 1.00 53.52 O ATOM 168 CG2 THR A 15 20.015 -16.644 -11.128 1.00 33.25 C ATOM 0 H THR A 15 18.158 -19.059 -11.877 1.00 62.35 H new ATOM 0 HA THR A 15 20.085 -17.665 -13.571 1.00 70.21 H new ATOM 0 HB THR A 15 21.532 -18.102 -11.534 1.00 71.00 H new ATOM 0 HG1 THR A 15 20.335 -18.706 -9.588 1.00 53.52 H new ATOM 0 HG21 THR A 15 20.418 -16.376 -10.151 1.00 33.25 H new ATOM 0 HG22 THR A 15 20.393 -15.951 -11.879 1.00 33.25 H new ATOM 0 HG23 THR A 15 18.927 -16.590 -11.099 1.00 33.25 H new ATOM 176 N THR A 16 19.828 -20.530 -14.102 1.00 34.01 N ATOM 177 CA THR A 16 20.267 -21.778 -14.651 1.00 62.33 C ATOM 178 C THR A 16 21.266 -21.554 -15.784 1.00 62.33 C ATOM 179 O THR A 16 22.231 -22.301 -15.938 1.00 4.14 O ATOM 180 CB THR A 16 19.034 -22.519 -15.157 1.00 32.31 C ATOM 181 OG1 THR A 16 18.173 -21.565 -15.813 1.00 45.44 O ATOM 182 CG2 THR A 16 18.283 -23.158 -14.004 1.00 52.43 C ATOM 0 H THR A 16 18.860 -20.309 -14.334 1.00 34.01 H new ATOM 0 HA THR A 16 20.776 -22.366 -13.888 1.00 62.33 H new ATOM 0 HB THR A 16 19.341 -23.305 -15.847 1.00 32.31 H new ATOM 0 HG1 THR A 16 17.373 -22.022 -16.148 1.00 45.44 H new ATOM 0 HG21 THR A 16 17.407 -23.682 -14.386 1.00 52.43 H new ATOM 0 HG22 THR A 16 18.935 -23.867 -13.493 1.00 52.43 H new ATOM 0 HG23 THR A 16 17.967 -22.385 -13.303 1.00 52.43 H new ATOM 190 N SER A 17 21.034 -20.510 -16.546 1.00 53.04 N ATOM 191 CA SER A 17 21.885 -20.133 -17.634 1.00 52.10 C ATOM 192 C SER A 17 23.242 -19.668 -17.100 1.00 61.15 C ATOM 193 O SER A 17 24.292 -20.246 -17.412 1.00 12.35 O ATOM 194 CB SER A 17 21.179 -19.025 -18.406 1.00 13.42 C ATOM 195 OG SER A 17 20.666 -18.053 -17.488 1.00 72.44 O ATOM 0 H SER A 17 20.232 -19.892 -16.419 1.00 53.04 H new ATOM 0 HA SER A 17 22.073 -20.978 -18.297 1.00 52.10 H new ATOM 0 HB2 SER A 17 21.873 -18.553 -19.101 1.00 13.42 H new ATOM 0 HB3 SER A 17 20.367 -19.443 -19.001 1.00 13.42 H new ATOM 0 HG SER A 17 20.214 -17.340 -17.985 1.00 72.44 H new ATOM 201 N GLN A 18 23.216 -18.652 -16.279 1.00 32.21 N ATOM 202 CA GLN A 18 24.409 -18.143 -15.672 1.00 74.22 C ATOM 203 C GLN A 18 24.302 -18.226 -14.179 1.00 44.22 C ATOM 204 O GLN A 18 23.614 -17.413 -13.555 1.00 45.43 O ATOM 205 CB GLN A 18 24.694 -16.704 -16.079 1.00 3.15 C ATOM 206 CG GLN A 18 24.957 -16.501 -17.551 1.00 61.15 C ATOM 207 CD GLN A 18 25.429 -15.100 -17.835 1.00 34.22 C ATOM 208 OE1 GLN A 18 26.622 -14.830 -17.811 1.00 45.24 O ATOM 209 NE2 GLN A 18 24.517 -14.206 -18.098 1.00 0.13 N ATOM 0 H GLN A 18 22.365 -18.156 -16.014 1.00 32.21 H new ATOM 0 HA GLN A 18 25.236 -18.759 -16.023 1.00 74.22 H new ATOM 0 HB2 GLN A 18 23.846 -16.084 -15.787 1.00 3.15 H new ATOM 0 HB3 GLN A 18 25.558 -16.347 -15.518 1.00 3.15 H new ATOM 0 HG2 GLN A 18 25.707 -17.215 -17.890 1.00 61.15 H new ATOM 0 HG3 GLN A 18 24.047 -16.702 -18.116 1.00 61.15 H new ATOM 0 HE21 GLN A 18 23.532 -14.470 -18.109 1.00 0.13 H new ATOM 0 HE22 GLN A 18 24.789 -13.242 -18.293 1.00 0.13 H new ATOM 218 N ILE A 19 24.931 -19.213 -13.612 1.00 44.01 N ATOM 219 CA ILE A 19 24.943 -19.352 -12.183 1.00 23.43 C ATOM 220 C ILE A 19 26.034 -18.434 -11.649 1.00 41.50 C ATOM 221 O ILE A 19 27.182 -18.518 -12.100 1.00 14.42 O ATOM 222 CB ILE A 19 25.223 -20.814 -11.739 1.00 12.45 C ATOM 223 CG1 ILE A 19 24.230 -21.779 -12.407 1.00 22.44 C ATOM 224 CG2 ILE A 19 25.132 -20.932 -10.218 1.00 51.15 C ATOM 225 CD1 ILE A 19 24.421 -23.231 -12.032 1.00 62.31 C ATOM 0 H ILE A 19 25.444 -19.936 -14.117 1.00 44.01 H new ATOM 0 HA ILE A 19 23.963 -19.086 -11.787 1.00 23.43 H new ATOM 0 HB ILE A 19 26.232 -21.083 -12.052 1.00 12.45 H new ATOM 0 HG12 ILE A 19 23.216 -21.478 -12.142 1.00 22.44 H new ATOM 0 HG13 ILE A 19 24.319 -21.681 -13.489 1.00 22.44 H new ATOM 0 HG21 ILE A 19 25.330 -21.962 -9.920 1.00 51.15 H new ATOM 0 HG22 ILE A 19 25.868 -20.273 -9.757 1.00 51.15 H new ATOM 0 HG23 ILE A 19 24.133 -20.646 -9.890 1.00 51.15 H new ATOM 0 HD11 ILE A 19 23.679 -23.841 -12.548 1.00 62.31 H new ATOM 0 HD12 ILE A 19 25.421 -23.553 -12.322 1.00 62.31 H new ATOM 0 HD13 ILE A 19 24.301 -23.347 -10.955 1.00 62.31 H new ATOM 237 N PRO A 20 25.692 -17.520 -10.736 1.00 42.12 N ATOM 238 CA PRO A 20 26.646 -16.560 -10.205 1.00 24.14 C ATOM 239 C PRO A 20 27.781 -17.232 -9.442 1.00 41.43 C ATOM 240 O PRO A 20 27.566 -17.921 -8.425 1.00 54.35 O ATOM 241 CB PRO A 20 25.819 -15.664 -9.284 1.00 53.30 C ATOM 242 CG PRO A 20 24.590 -16.449 -8.976 1.00 1.42 C ATOM 243 CD PRO A 20 24.350 -17.347 -10.152 1.00 14.14 C ATOM 0 HA PRO A 20 27.136 -16.003 -11.004 1.00 24.14 H new ATOM 0 HB2 PRO A 20 26.368 -15.420 -8.375 1.00 53.30 H new ATOM 0 HB3 PRO A 20 25.572 -14.720 -9.770 1.00 53.30 H new ATOM 0 HG2 PRO A 20 24.721 -17.031 -8.064 1.00 1.42 H new ATOM 0 HG3 PRO A 20 23.739 -15.788 -8.813 1.00 1.42 H new ATOM 0 HD2 PRO A 20 23.920 -18.301 -9.847 1.00 14.14 H new ATOM 0 HD3 PRO A 20 23.658 -16.898 -10.864 1.00 14.14 H new ATOM 251 N ALA A 21 28.967 -17.065 -9.947 1.00 65.43 N ATOM 252 CA ALA A 21 30.145 -17.624 -9.344 1.00 14.44 C ATOM 253 C ALA A 21 30.958 -16.507 -8.724 1.00 3.11 C ATOM 254 O ALA A 21 30.595 -15.328 -8.844 1.00 3.25 O ATOM 255 CB ALA A 21 30.960 -18.388 -10.381 1.00 30.13 C ATOM 0 H ALA A 21 29.148 -16.532 -10.798 1.00 65.43 H new ATOM 0 HA ALA A 21 29.861 -18.330 -8.564 1.00 14.44 H new ATOM 0 HB1 ALA A 21 31.849 -18.806 -9.909 1.00 30.13 H new ATOM 0 HB2 ALA A 21 30.356 -19.195 -10.796 1.00 30.13 H new ATOM 0 HB3 ALA A 21 31.258 -17.710 -11.181 1.00 30.13 H new ATOM 261 N SER A 22 32.007 -16.854 -8.032 1.00 30.10 N ATOM 262 CA SER A 22 32.876 -15.884 -7.411 1.00 45.52 C ATOM 263 C SER A 22 34.302 -16.430 -7.402 1.00 75.41 C ATOM 264 O SER A 22 34.555 -17.511 -6.868 1.00 42.35 O ATOM 265 CB SER A 22 32.396 -15.598 -5.980 1.00 50.13 C ATOM 266 OG SER A 22 31.032 -15.178 -5.979 1.00 10.35 O ATOM 0 H SER A 22 32.288 -17.823 -7.880 1.00 30.10 H new ATOM 0 HA SER A 22 32.855 -14.950 -7.972 1.00 45.52 H new ATOM 0 HB2 SER A 22 32.506 -16.494 -5.369 1.00 50.13 H new ATOM 0 HB3 SER A 22 33.020 -14.826 -5.530 1.00 50.13 H new ATOM 0 HG SER A 22 30.744 -15.002 -5.059 1.00 10.35 H new ATOM 272 N GLU A 23 35.217 -15.720 -8.008 1.00 72.13 N ATOM 273 CA GLU A 23 36.579 -16.169 -8.059 1.00 51.30 C ATOM 274 C GLU A 23 37.326 -15.632 -6.856 1.00 35.14 C ATOM 275 O GLU A 23 37.936 -14.557 -6.899 1.00 1.53 O ATOM 276 CB GLU A 23 37.255 -15.776 -9.385 1.00 40.41 C ATOM 277 CG GLU A 23 38.647 -16.361 -9.576 1.00 65.24 C ATOM 278 CD GLU A 23 38.654 -17.864 -9.443 1.00 41.23 C ATOM 279 OE1 GLU A 23 38.173 -18.561 -10.361 1.00 12.14 O ATOM 280 OE2 GLU A 23 39.096 -18.379 -8.390 1.00 64.50 O ATOM 0 H GLU A 23 35.042 -14.829 -8.472 1.00 72.13 H new ATOM 0 HA GLU A 23 36.599 -17.258 -8.022 1.00 51.30 H new ATOM 0 HB2 GLU A 23 36.622 -16.098 -10.212 1.00 40.41 H new ATOM 0 HB3 GLU A 23 37.320 -14.689 -9.438 1.00 40.41 H new ATOM 0 HG2 GLU A 23 39.025 -16.083 -10.560 1.00 65.24 H new ATOM 0 HG3 GLU A 23 39.325 -15.929 -8.840 1.00 65.24 H new ATOM 287 N GLN A 24 37.203 -16.343 -5.767 1.00 53.33 N ATOM 288 CA GLN A 24 37.801 -15.948 -4.519 1.00 25.11 C ATOM 289 C GLN A 24 38.990 -16.830 -4.208 1.00 21.45 C ATOM 290 O GLN A 24 40.131 -16.361 -4.155 1.00 14.43 O ATOM 291 CB GLN A 24 36.770 -16.044 -3.408 1.00 75.42 C ATOM 292 CG GLN A 24 35.561 -15.166 -3.631 1.00 1.02 C ATOM 293 CD GLN A 24 34.501 -15.392 -2.596 1.00 43.30 C ATOM 294 OE1 GLN A 24 33.630 -16.243 -2.767 1.00 22.24 O ATOM 295 NE2 GLN A 24 34.549 -14.645 -1.532 1.00 2.23 N ATOM 0 H GLN A 24 36.682 -17.218 -5.720 1.00 53.33 H new ATOM 0 HA GLN A 24 38.146 -14.917 -4.597 1.00 25.11 H new ATOM 0 HB2 GLN A 24 36.444 -17.080 -3.314 1.00 75.42 H new ATOM 0 HB3 GLN A 24 37.239 -15.770 -2.463 1.00 75.42 H new ATOM 0 HG2 GLN A 24 35.866 -14.120 -3.615 1.00 1.02 H new ATOM 0 HG3 GLN A 24 35.148 -15.363 -4.621 1.00 1.02 H new ATOM 0 HE21 GLN A 24 35.289 -13.950 -1.429 1.00 2.23 H new ATOM 0 HE22 GLN A 24 33.847 -14.754 -0.800 1.00 2.23 H new ATOM 304 N GLU A 25 38.731 -18.107 -4.042 1.00 20.02 N ATOM 305 CA GLU A 25 39.768 -19.062 -3.743 1.00 11.33 C ATOM 306 C GLU A 25 40.466 -19.468 -5.029 1.00 22.14 C ATOM 307 O GLU A 25 40.166 -20.520 -5.624 1.00 34.32 O ATOM 308 CB GLU A 25 39.201 -20.293 -3.054 1.00 63.05 C ATOM 309 CG GLU A 25 38.456 -20.021 -1.765 1.00 74.12 C ATOM 310 CD GLU A 25 37.893 -21.287 -1.187 1.00 42.43 C ATOM 311 OE1 GLU A 25 38.647 -22.035 -0.523 1.00 53.42 O ATOM 312 OE2 GLU A 25 36.707 -21.588 -1.418 1.00 41.50 O ATOM 0 H GLU A 25 37.797 -18.510 -4.111 1.00 20.02 H new ATOM 0 HA GLU A 25 40.482 -18.595 -3.065 1.00 11.33 H new ATOM 0 HB2 GLU A 25 38.527 -20.799 -3.745 1.00 63.05 H new ATOM 0 HB3 GLU A 25 40.019 -20.982 -2.844 1.00 63.05 H new ATOM 0 HG2 GLU A 25 39.129 -19.556 -1.044 1.00 74.12 H new ATOM 0 HG3 GLU A 25 37.649 -19.312 -1.951 1.00 74.12 H new ATOM 319 N THR A 26 41.313 -18.608 -5.495 1.00 51.52 N ATOM 320 CA THR A 26 42.033 -18.832 -6.692 1.00 53.31 C ATOM 321 C THR A 26 43.290 -19.631 -6.396 1.00 53.35 C ATOM 322 O THR A 26 44.199 -19.164 -5.701 1.00 30.52 O ATOM 323 CB THR A 26 42.380 -17.500 -7.365 1.00 42.31 C ATOM 324 OG1 THR A 26 41.167 -16.729 -7.497 1.00 20.15 O ATOM 325 CG2 THR A 26 42.970 -17.740 -8.751 1.00 70.41 C ATOM 0 H THR A 26 41.522 -17.718 -5.042 1.00 51.52 H new ATOM 0 HA THR A 26 41.410 -19.405 -7.379 1.00 53.31 H new ATOM 0 HB THR A 26 43.114 -16.968 -6.760 1.00 42.31 H new ATOM 0 HG1 THR A 26 40.411 -17.333 -7.655 1.00 20.15 H new ATOM 0 HG21 THR A 26 43.211 -16.783 -9.215 1.00 70.41 H new ATOM 0 HG22 THR A 26 43.877 -18.338 -8.662 1.00 70.41 H new ATOM 0 HG23 THR A 26 42.245 -18.270 -9.368 1.00 70.41 H new ATOM 333 N LEU A 27 43.311 -20.831 -6.875 1.00 5.11 N ATOM 334 CA LEU A 27 44.434 -21.697 -6.690 1.00 60.50 C ATOM 335 C LEU A 27 45.369 -21.505 -7.831 1.00 75.55 C ATOM 336 O LEU A 27 44.938 -21.271 -8.956 1.00 13.21 O ATOM 337 CB LEU A 27 43.986 -23.148 -6.603 1.00 70.13 C ATOM 338 CG LEU A 27 43.058 -23.475 -5.443 1.00 24.53 C ATOM 339 CD1 LEU A 27 42.621 -24.913 -5.508 1.00 0.21 C ATOM 340 CD2 LEU A 27 43.737 -23.197 -4.120 1.00 40.21 C ATOM 0 H LEU A 27 42.546 -21.243 -7.409 1.00 5.11 H new ATOM 0 HA LEU A 27 44.937 -21.452 -5.754 1.00 60.50 H new ATOM 0 HB2 LEU A 27 43.484 -23.412 -7.534 1.00 70.13 H new ATOM 0 HB3 LEU A 27 44.871 -23.780 -6.528 1.00 70.13 H new ATOM 0 HG LEU A 27 42.178 -22.837 -5.522 1.00 24.53 H new ATOM 0 HD11 LEU A 27 41.958 -25.130 -4.671 1.00 0.21 H new ATOM 0 HD12 LEU A 27 42.093 -25.091 -6.445 1.00 0.21 H new ATOM 0 HD13 LEU A 27 43.495 -25.562 -5.456 1.00 0.21 H new ATOM 0 HD21 LEU A 27 43.056 -23.438 -3.304 1.00 40.21 H new ATOM 0 HD22 LEU A 27 44.635 -23.809 -4.036 1.00 40.21 H new ATOM 0 HD23 LEU A 27 44.010 -22.143 -4.066 1.00 40.21 H new ATOM 352 N VAL A 28 46.619 -21.568 -7.560 1.00 40.25 N ATOM 353 CA VAL A 28 47.606 -21.347 -8.561 1.00 11.42 C ATOM 354 C VAL A 28 48.158 -22.668 -9.065 1.00 51.22 C ATOM 355 O VAL A 28 48.149 -23.672 -8.338 1.00 23.41 O ATOM 356 CB VAL A 28 48.751 -20.458 -8.014 1.00 72.31 C ATOM 357 CG1 VAL A 28 48.189 -19.134 -7.499 1.00 1.12 C ATOM 358 CG2 VAL A 28 49.559 -21.159 -6.918 1.00 61.10 C ATOM 0 H VAL A 28 46.994 -21.775 -6.634 1.00 40.25 H new ATOM 0 HA VAL A 28 47.135 -20.827 -9.395 1.00 11.42 H new ATOM 0 HB VAL A 28 49.435 -20.263 -8.840 1.00 72.31 H new ATOM 0 HG11 VAL A 28 49.003 -18.517 -7.117 1.00 1.12 H new ATOM 0 HG12 VAL A 28 47.688 -18.610 -8.313 1.00 1.12 H new ATOM 0 HG13 VAL A 28 47.475 -19.329 -6.699 1.00 1.12 H new ATOM 0 HG21 VAL A 28 50.349 -20.495 -6.567 1.00 61.10 H new ATOM 0 HG22 VAL A 28 48.901 -21.411 -6.086 1.00 61.10 H new ATOM 0 HG23 VAL A 28 50.002 -22.070 -7.319 1.00 61.10 H new ATOM 368 N ARG A 29 48.583 -22.684 -10.311 1.00 35.24 N ATOM 369 CA ARG A 29 49.189 -23.868 -10.899 1.00 74.24 C ATOM 370 C ARG A 29 50.694 -23.634 -10.997 1.00 40.32 C ATOM 371 O ARG A 29 51.158 -23.006 -11.953 1.00 20.51 O ATOM 372 CB ARG A 29 48.641 -24.117 -12.307 1.00 11.01 C ATOM 373 CG ARG A 29 47.132 -24.088 -12.443 1.00 63.52 C ATOM 374 CD ARG A 29 46.453 -24.986 -11.443 1.00 40.33 C ATOM 375 NE ARG A 29 46.857 -26.399 -11.557 1.00 65.21 N ATOM 376 CZ ARG A 29 46.025 -27.447 -11.496 1.00 15.23 C ATOM 377 NH1 ARG A 29 44.704 -27.270 -11.464 1.00 52.24 N ATOM 378 NH2 ARG A 29 46.518 -28.674 -11.478 1.00 32.15 N ATOM 0 H ARG A 29 48.521 -21.886 -10.943 1.00 35.24 H new ATOM 0 HA ARG A 29 48.962 -24.733 -10.276 1.00 74.24 H new ATOM 0 HB2 ARG A 29 49.062 -23.368 -12.978 1.00 11.01 H new ATOM 0 HB3 ARG A 29 48.999 -25.088 -12.649 1.00 11.01 H new ATOM 0 HG2 ARG A 29 46.777 -23.066 -12.311 1.00 63.52 H new ATOM 0 HG3 ARG A 29 46.854 -24.394 -13.451 1.00 63.52 H new ATOM 0 HD2 ARG A 29 46.677 -24.632 -10.437 1.00 40.33 H new ATOM 0 HD3 ARG A 29 45.373 -24.913 -11.574 1.00 40.33 H new ATOM 0 HE ARG A 29 47.849 -26.594 -11.693 1.00 65.21 H new ATOM 0 HH11 ARG A 29 44.315 -26.327 -11.486 1.00 52.24 H new ATOM 0 HH12 ARG A 29 44.082 -28.077 -11.418 1.00 52.24 H new ATOM 0 HH21 ARG A 29 47.527 -28.819 -11.510 1.00 32.15 H new ATOM 0 HH22 ARG A 29 45.889 -29.476 -11.432 1.00 32.15 H new ATOM 392 N PRO A 30 51.472 -24.096 -10.025 1.00 1.41 N ATOM 393 CA PRO A 30 52.896 -23.799 -9.963 1.00 43.14 C ATOM 394 C PRO A 30 53.770 -24.717 -10.835 1.00 24.23 C ATOM 395 O PRO A 30 53.425 -25.880 -11.082 1.00 23.12 O ATOM 396 CB PRO A 30 53.214 -24.007 -8.481 1.00 54.02 C ATOM 397 CG PRO A 30 52.265 -25.072 -8.026 1.00 53.23 C ATOM 398 CD PRO A 30 51.042 -24.975 -8.909 1.00 55.33 C ATOM 0 HA PRO A 30 53.111 -22.801 -10.346 1.00 43.14 H new ATOM 0 HB2 PRO A 30 54.250 -24.315 -8.339 1.00 54.02 H new ATOM 0 HB3 PRO A 30 53.075 -23.086 -7.915 1.00 54.02 H new ATOM 0 HG2 PRO A 30 52.723 -26.058 -8.107 1.00 53.23 H new ATOM 0 HG3 PRO A 30 51.998 -24.930 -6.979 1.00 53.23 H new ATOM 0 HD2 PRO A 30 50.732 -25.956 -9.270 1.00 55.33 H new ATOM 0 HD3 PRO A 30 50.194 -24.551 -8.371 1.00 55.33 H new ATOM 406 N LYS A 31 54.890 -24.168 -11.320 1.00 71.41 N ATOM 407 CA LYS A 31 55.897 -24.946 -12.051 1.00 13.12 C ATOM 408 C LYS A 31 56.470 -26.027 -11.130 1.00 60.43 C ATOM 409 O LYS A 31 56.426 -25.871 -9.895 1.00 12.54 O ATOM 410 CB LYS A 31 57.061 -24.039 -12.523 1.00 45.42 C ATOM 411 CG LYS A 31 56.702 -23.024 -13.586 1.00 33.03 C ATOM 412 CD LYS A 31 57.899 -22.155 -13.939 1.00 44.22 C ATOM 413 CE LYS A 31 57.558 -21.152 -15.030 1.00 72.11 C ATOM 414 NZ LYS A 31 58.691 -20.250 -15.329 1.00 53.45 N ATOM 0 H LYS A 31 55.123 -23.180 -11.218 1.00 71.41 H new ATOM 0 HA LYS A 31 55.416 -25.394 -12.921 1.00 13.12 H new ATOM 0 HB2 LYS A 31 57.460 -23.509 -11.658 1.00 45.42 H new ATOM 0 HB3 LYS A 31 57.861 -24.673 -12.905 1.00 45.42 H new ATOM 0 HG2 LYS A 31 56.346 -23.538 -14.479 1.00 33.03 H new ATOM 0 HG3 LYS A 31 55.884 -22.396 -13.232 1.00 33.03 H new ATOM 0 HD2 LYS A 31 58.240 -21.625 -13.050 1.00 44.22 H new ATOM 0 HD3 LYS A 31 58.724 -22.787 -14.269 1.00 44.22 H new ATOM 0 HE2 LYS A 31 57.271 -21.686 -15.936 1.00 72.11 H new ATOM 0 HE3 LYS A 31 56.696 -20.561 -14.722 1.00 72.11 H new ATOM 0 HZ1 LYS A 31 58.433 -19.616 -16.112 1.00 53.45 H new ATOM 0 HZ2 LYS A 31 58.916 -19.684 -14.486 1.00 53.45 H new ATOM 0 HZ3 LYS A 31 59.522 -20.814 -15.599 1.00 53.45 H new ATOM 428 N PRO A 32 57.057 -27.111 -11.695 1.00 4.31 N ATOM 429 CA PRO A 32 57.662 -28.207 -10.909 1.00 5.12 C ATOM 430 C PRO A 32 58.736 -27.696 -9.946 1.00 74.20 C ATOM 431 O PRO A 32 58.991 -28.294 -8.910 1.00 50.13 O ATOM 432 CB PRO A 32 58.301 -29.110 -11.984 1.00 54.05 C ATOM 433 CG PRO A 32 58.388 -28.247 -13.193 1.00 52.24 C ATOM 434 CD PRO A 32 57.167 -27.390 -13.142 1.00 71.25 C ATOM 0 HA PRO A 32 56.927 -28.716 -10.286 1.00 5.12 H new ATOM 0 HB2 PRO A 32 59.286 -29.459 -11.674 1.00 54.05 H new ATOM 0 HB3 PRO A 32 57.693 -29.995 -12.171 1.00 54.05 H new ATOM 0 HG2 PRO A 32 59.295 -27.643 -13.183 1.00 52.24 H new ATOM 0 HG3 PRO A 32 58.413 -28.845 -14.104 1.00 52.24 H new ATOM 0 HD2 PRO A 32 57.283 -26.478 -13.727 1.00 71.25 H new ATOM 0 HD3 PRO A 32 56.288 -27.907 -13.527 1.00 71.25 H new ATOM 442 N LEU A 33 59.336 -26.579 -10.298 1.00 43.22 N ATOM 443 CA LEU A 33 60.361 -25.939 -9.494 1.00 61.34 C ATOM 444 C LEU A 33 59.751 -25.365 -8.204 1.00 33.42 C ATOM 445 O LEU A 33 60.303 -25.511 -7.101 1.00 21.42 O ATOM 446 CB LEU A 33 61.033 -24.848 -10.322 1.00 61.22 C ATOM 447 CG LEU A 33 61.650 -25.331 -11.640 1.00 51.04 C ATOM 448 CD1 LEU A 33 62.222 -24.173 -12.429 1.00 51.51 C ATOM 449 CD2 LEU A 33 62.719 -26.385 -11.381 1.00 21.44 C ATOM 0 H LEU A 33 59.124 -26.081 -11.163 1.00 43.22 H new ATOM 0 HA LEU A 33 61.112 -26.673 -9.202 1.00 61.34 H new ATOM 0 HB2 LEU A 33 60.298 -24.074 -10.543 1.00 61.22 H new ATOM 0 HB3 LEU A 33 61.814 -24.383 -9.720 1.00 61.22 H new ATOM 0 HG LEU A 33 60.858 -25.785 -12.235 1.00 51.04 H new ATOM 0 HD11 LEU A 33 62.653 -24.544 -13.359 1.00 51.51 H new ATOM 0 HD12 LEU A 33 61.429 -23.460 -12.656 1.00 51.51 H new ATOM 0 HD13 LEU A 33 62.996 -23.680 -11.842 1.00 51.51 H new ATOM 0 HD21 LEU A 33 63.143 -26.714 -12.330 1.00 21.44 H new ATOM 0 HD22 LEU A 33 63.507 -25.959 -10.759 1.00 21.44 H new ATOM 0 HD23 LEU A 33 62.273 -27.237 -10.868 1.00 21.44 H new ATOM 461 N LEU A 34 58.588 -24.760 -8.332 1.00 3.45 N ATOM 462 CA LEU A 34 57.896 -24.238 -7.171 1.00 64.14 C ATOM 463 C LEU A 34 57.342 -25.395 -6.383 1.00 22.24 C ATOM 464 O LEU A 34 57.466 -25.444 -5.175 1.00 75.12 O ATOM 465 CB LEU A 34 56.760 -23.250 -7.533 1.00 35.35 C ATOM 466 CG LEU A 34 57.157 -21.844 -8.027 1.00 62.21 C ATOM 467 CD1 LEU A 34 57.847 -21.892 -9.374 1.00 72.03 C ATOM 468 CD2 LEU A 34 55.933 -20.939 -8.089 1.00 52.54 C ATOM 0 H LEU A 34 58.105 -24.618 -9.219 1.00 3.45 H new ATOM 0 HA LEU A 34 58.616 -23.672 -6.580 1.00 64.14 H new ATOM 0 HB2 LEU A 34 56.146 -23.715 -8.305 1.00 35.35 H new ATOM 0 HB3 LEU A 34 56.129 -23.129 -6.653 1.00 35.35 H new ATOM 0 HG LEU A 34 57.868 -21.433 -7.310 1.00 62.21 H new ATOM 0 HD11 LEU A 34 58.109 -20.881 -9.685 1.00 72.03 H new ATOM 0 HD12 LEU A 34 58.752 -22.495 -9.298 1.00 72.03 H new ATOM 0 HD13 LEU A 34 57.177 -22.335 -10.111 1.00 72.03 H new ATOM 0 HD21 LEU A 34 56.229 -19.950 -8.439 1.00 52.54 H new ATOM 0 HD22 LEU A 34 55.201 -21.363 -8.776 1.00 52.54 H new ATOM 0 HD23 LEU A 34 55.492 -20.855 -7.096 1.00 52.54 H new ATOM 480 N LEU A 35 56.791 -26.355 -7.099 1.00 65.12 N ATOM 481 CA LEU A 35 56.220 -27.541 -6.504 1.00 5.32 C ATOM 482 C LEU A 35 57.257 -28.296 -5.667 1.00 54.41 C ATOM 483 O LEU A 35 56.973 -28.690 -4.549 1.00 53.44 O ATOM 484 CB LEU A 35 55.649 -28.437 -7.589 1.00 2.42 C ATOM 485 CG LEU A 35 54.909 -29.687 -7.118 1.00 12.12 C ATOM 486 CD1 LEU A 35 53.736 -29.325 -6.209 1.00 24.24 C ATOM 487 CD2 LEU A 35 54.417 -30.443 -8.313 1.00 71.40 C ATOM 0 H LEU A 35 56.728 -26.331 -8.117 1.00 65.12 H new ATOM 0 HA LEU A 35 55.415 -27.238 -5.834 1.00 5.32 H new ATOM 0 HB2 LEU A 35 54.966 -27.844 -8.197 1.00 2.42 H new ATOM 0 HB3 LEU A 35 56.466 -28.749 -8.240 1.00 2.42 H new ATOM 0 HG LEU A 35 55.597 -30.306 -6.543 1.00 12.12 H new ATOM 0 HD11 LEU A 35 53.229 -30.235 -5.890 1.00 24.24 H new ATOM 0 HD12 LEU A 35 54.105 -28.790 -5.334 1.00 24.24 H new ATOM 0 HD13 LEU A 35 53.036 -28.691 -6.753 1.00 24.24 H new ATOM 0 HD21 LEU A 35 53.887 -31.337 -7.985 1.00 71.40 H new ATOM 0 HD22 LEU A 35 53.741 -29.812 -8.890 1.00 71.40 H new ATOM 0 HD23 LEU A 35 55.264 -30.731 -8.935 1.00 71.40 H new ATOM 499 N LYS A 36 58.481 -28.438 -6.186 1.00 42.34 N ATOM 500 CA LYS A 36 59.525 -29.152 -5.460 1.00 34.14 C ATOM 501 C LYS A 36 59.922 -28.403 -4.198 1.00 62.12 C ATOM 502 O LYS A 36 60.238 -29.023 -3.194 1.00 31.42 O ATOM 503 CB LYS A 36 60.769 -29.464 -6.334 1.00 22.41 C ATOM 504 CG LYS A 36 61.596 -28.254 -6.762 1.00 43.13 C ATOM 505 CD LYS A 36 62.730 -28.615 -7.734 1.00 75.31 C ATOM 506 CE LYS A 36 63.792 -29.541 -7.123 1.00 21.21 C ATOM 507 NZ LYS A 36 64.478 -28.950 -5.941 1.00 23.02 N ATOM 0 H LYS A 36 58.767 -28.072 -7.094 1.00 42.34 H new ATOM 0 HA LYS A 36 59.098 -30.114 -5.176 1.00 34.14 H new ATOM 0 HB2 LYS A 36 61.416 -30.147 -5.783 1.00 22.41 H new ATOM 0 HB3 LYS A 36 60.439 -29.991 -7.229 1.00 22.41 H new ATOM 0 HG2 LYS A 36 60.941 -27.521 -7.233 1.00 43.13 H new ATOM 0 HG3 LYS A 36 62.021 -27.780 -5.877 1.00 43.13 H new ATOM 0 HD2 LYS A 36 62.303 -29.096 -8.614 1.00 75.31 H new ATOM 0 HD3 LYS A 36 63.212 -27.698 -8.074 1.00 75.31 H new ATOM 0 HE2 LYS A 36 63.321 -30.479 -6.830 1.00 21.21 H new ATOM 0 HE3 LYS A 36 64.535 -29.782 -7.883 1.00 21.21 H new ATOM 0 HZ1 LYS A 36 65.228 -29.594 -5.617 1.00 23.02 H new ATOM 0 HZ2 LYS A 36 64.897 -28.035 -6.204 1.00 23.02 H new ATOM 0 HZ3 LYS A 36 63.789 -28.808 -5.175 1.00 23.02 H new ATOM 521 N LEU A 37 59.853 -27.072 -4.226 1.00 21.34 N ATOM 522 CA LEU A 37 60.233 -26.318 -3.042 1.00 4.13 C ATOM 523 C LEU A 37 59.121 -26.412 -2.001 1.00 55.22 C ATOM 524 O LEU A 37 59.372 -26.677 -0.824 1.00 44.31 O ATOM 525 CB LEU A 37 60.646 -24.835 -3.367 1.00 20.40 C ATOM 526 CG LEU A 37 59.564 -23.770 -3.695 1.00 70.33 C ATOM 527 CD1 LEU A 37 58.874 -23.233 -2.425 1.00 0.31 C ATOM 528 CD2 LEU A 37 60.171 -22.625 -4.491 1.00 24.22 C ATOM 0 H LEU A 37 59.549 -26.515 -5.025 1.00 21.34 H new ATOM 0 HA LEU A 37 61.134 -26.767 -2.623 1.00 4.13 H new ATOM 0 HB2 LEU A 37 61.214 -24.465 -2.513 1.00 20.40 H new ATOM 0 HB3 LEU A 37 61.331 -24.870 -4.214 1.00 20.40 H new ATOM 0 HG LEU A 37 58.800 -24.260 -4.298 1.00 70.33 H new ATOM 0 HD11 LEU A 37 58.125 -22.491 -2.704 1.00 0.31 H new ATOM 0 HD12 LEU A 37 58.391 -24.056 -1.898 1.00 0.31 H new ATOM 0 HD13 LEU A 37 59.617 -22.772 -1.774 1.00 0.31 H new ATOM 0 HD21 LEU A 37 59.400 -21.887 -4.713 1.00 24.22 H new ATOM 0 HD22 LEU A 37 60.964 -22.157 -3.908 1.00 24.22 H new ATOM 0 HD23 LEU A 37 60.585 -23.009 -5.423 1.00 24.22 H new ATOM 540 N LEU A 38 57.893 -26.282 -2.470 1.00 2.01 N ATOM 541 CA LEU A 38 56.716 -26.291 -1.628 1.00 62.52 C ATOM 542 C LEU A 38 56.515 -27.663 -0.999 1.00 61.11 C ATOM 543 O LEU A 38 56.351 -27.788 0.211 1.00 21.21 O ATOM 544 CB LEU A 38 55.477 -25.888 -2.462 1.00 42.14 C ATOM 545 CG LEU A 38 55.497 -24.465 -3.069 1.00 23.53 C ATOM 546 CD1 LEU A 38 54.412 -24.303 -4.111 1.00 63.33 C ATOM 547 CD2 LEU A 38 55.317 -23.413 -1.995 1.00 34.23 C ATOM 0 H LEU A 38 57.685 -26.166 -3.462 1.00 2.01 H new ATOM 0 HA LEU A 38 56.852 -25.569 -0.823 1.00 62.52 H new ATOM 0 HB2 LEU A 38 55.362 -26.606 -3.274 1.00 42.14 H new ATOM 0 HB3 LEU A 38 54.594 -25.979 -1.830 1.00 42.14 H new ATOM 0 HG LEU A 38 56.470 -24.330 -3.542 1.00 23.53 H new ATOM 0 HD11 LEU A 38 54.449 -23.294 -4.521 1.00 63.33 H new ATOM 0 HD12 LEU A 38 54.566 -25.026 -4.912 1.00 63.33 H new ATOM 0 HD13 LEU A 38 53.438 -24.472 -3.652 1.00 63.33 H new ATOM 0 HD21 LEU A 38 55.335 -22.422 -2.449 1.00 34.23 H new ATOM 0 HD22 LEU A 38 54.361 -23.565 -1.493 1.00 34.23 H new ATOM 0 HD23 LEU A 38 56.125 -23.493 -1.268 1.00 34.23 H new ATOM 559 N LYS A 39 56.619 -28.690 -1.801 1.00 4.41 N ATOM 560 CA LYS A 39 56.339 -30.036 -1.362 1.00 72.50 C ATOM 561 C LYS A 39 57.425 -30.526 -0.421 1.00 71.11 C ATOM 562 O LYS A 39 57.154 -31.310 0.494 1.00 23.23 O ATOM 563 CB LYS A 39 56.185 -30.932 -2.589 1.00 34.33 C ATOM 564 CG LYS A 39 55.657 -32.333 -2.342 1.00 51.34 C ATOM 565 CD LYS A 39 55.272 -32.965 -3.673 1.00 50.31 C ATOM 566 CE LYS A 39 54.662 -34.342 -3.509 1.00 14.03 C ATOM 567 NZ LYS A 39 54.082 -34.825 -4.781 1.00 31.25 N ATOM 0 H LYS A 39 56.900 -28.619 -2.779 1.00 4.41 H new ATOM 0 HA LYS A 39 55.406 -30.063 -0.799 1.00 72.50 H new ATOM 0 HB2 LYS A 39 55.517 -30.435 -3.293 1.00 34.33 H new ATOM 0 HB3 LYS A 39 57.157 -31.014 -3.075 1.00 34.33 H new ATOM 0 HG2 LYS A 39 56.415 -32.938 -1.844 1.00 51.34 H new ATOM 0 HG3 LYS A 39 54.792 -32.297 -1.679 1.00 51.34 H new ATOM 0 HD2 LYS A 39 54.563 -32.316 -4.187 1.00 50.31 H new ATOM 0 HD3 LYS A 39 56.156 -33.036 -4.306 1.00 50.31 H new ATOM 0 HE2 LYS A 39 55.424 -35.041 -3.165 1.00 14.03 H new ATOM 0 HE3 LYS A 39 53.888 -34.311 -2.742 1.00 14.03 H new ATOM 0 HZ1 LYS A 39 53.672 -35.770 -4.639 1.00 31.25 H new ATOM 0 HZ2 LYS A 39 53.339 -34.169 -5.095 1.00 31.25 H new ATOM 0 HZ3 LYS A 39 54.827 -34.877 -5.505 1.00 31.25 H new ATOM 581 N SER A 40 58.635 -29.996 -0.588 1.00 51.14 N ATOM 582 CA SER A 40 59.743 -30.405 0.241 1.00 42.10 C ATOM 583 C SER A 40 59.639 -29.825 1.659 1.00 14.45 C ATOM 584 O SER A 40 60.238 -30.351 2.599 1.00 42.43 O ATOM 585 CB SER A 40 61.084 -30.041 -0.404 1.00 12.23 C ATOM 586 OG SER A 40 61.278 -28.622 -0.515 1.00 61.15 O ATOM 0 H SER A 40 58.862 -29.289 -1.287 1.00 51.14 H new ATOM 0 HA SER A 40 59.695 -31.490 0.328 1.00 42.10 H new ATOM 0 HB2 SER A 40 61.894 -30.469 0.186 1.00 12.23 H new ATOM 0 HB3 SER A 40 61.139 -30.490 -1.396 1.00 12.23 H new ATOM 0 HG SER A 40 60.411 -28.182 -0.634 1.00 61.15 H new ATOM 592 N VAL A 41 58.875 -28.751 1.813 1.00 11.22 N ATOM 593 CA VAL A 41 58.734 -28.128 3.116 1.00 71.41 C ATOM 594 C VAL A 41 57.441 -28.557 3.808 1.00 64.32 C ATOM 595 O VAL A 41 57.106 -28.069 4.886 1.00 51.12 O ATOM 596 CB VAL A 41 58.878 -26.577 3.073 1.00 30.34 C ATOM 597 CG1 VAL A 41 60.272 -26.186 2.596 1.00 44.32 C ATOM 598 CG2 VAL A 41 57.834 -25.951 2.179 1.00 74.11 C ATOM 0 H VAL A 41 58.352 -28.301 1.062 1.00 11.22 H new ATOM 0 HA VAL A 41 59.568 -28.490 3.717 1.00 71.41 H new ATOM 0 HB VAL A 41 58.727 -26.203 4.085 1.00 30.34 H new ATOM 0 HG11 VAL A 41 60.357 -25.100 2.571 1.00 44.32 H new ATOM 0 HG12 VAL A 41 61.018 -26.593 3.279 1.00 44.32 H new ATOM 0 HG13 VAL A 41 60.440 -26.586 1.596 1.00 44.32 H new ATOM 0 HG21 VAL A 41 57.963 -24.869 2.172 1.00 74.11 H new ATOM 0 HG22 VAL A 41 57.944 -26.336 1.165 1.00 74.11 H new ATOM 0 HG23 VAL A 41 56.840 -26.195 2.554 1.00 74.11 H new ATOM 608 N GLY A 42 56.733 -29.494 3.196 1.00 13.41 N ATOM 609 CA GLY A 42 55.553 -30.042 3.831 1.00 34.34 C ATOM 610 C GLY A 42 54.248 -29.636 3.188 1.00 74.23 C ATOM 611 O GLY A 42 53.200 -29.610 3.857 1.00 22.34 O ATOM 0 H GLY A 42 56.952 -29.882 2.279 1.00 13.41 H new ATOM 0 HA2 GLY A 42 55.624 -31.130 3.823 1.00 34.34 H new ATOM 0 HA3 GLY A 42 55.541 -29.731 4.876 1.00 34.34 H new ATOM 615 N ALA A 43 54.279 -29.315 1.914 1.00 52.43 N ATOM 616 CA ALA A 43 53.054 -28.995 1.214 1.00 31.35 C ATOM 617 C ALA A 43 52.411 -30.276 0.727 1.00 13.11 C ATOM 618 O ALA A 43 52.952 -30.975 -0.137 1.00 2.23 O ATOM 619 CB ALA A 43 53.300 -28.042 0.074 1.00 2.41 C ATOM 0 H ALA A 43 55.126 -29.269 1.347 1.00 52.43 H new ATOM 0 HA ALA A 43 52.376 -28.491 1.903 1.00 31.35 H new ATOM 0 HB1 ALA A 43 52.357 -27.825 -0.428 1.00 2.41 H new ATOM 0 HB2 ALA A 43 53.728 -27.116 0.459 1.00 2.41 H new ATOM 0 HB3 ALA A 43 53.993 -28.494 -0.635 1.00 2.41 H new ATOM 625 N GLN A 44 51.266 -30.578 1.287 1.00 11.11 N ATOM 626 CA GLN A 44 50.578 -31.834 1.042 1.00 14.10 C ATOM 627 C GLN A 44 49.628 -31.736 -0.138 1.00 41.31 C ATOM 628 O GLN A 44 49.164 -32.747 -0.670 1.00 14.35 O ATOM 629 CB GLN A 44 49.819 -32.242 2.289 1.00 34.11 C ATOM 630 CG GLN A 44 50.699 -32.338 3.514 1.00 12.52 C ATOM 631 CD GLN A 44 49.944 -32.789 4.731 1.00 43.54 C ATOM 632 OE1 GLN A 44 49.401 -31.971 5.483 1.00 52.22 O ATOM 633 NE2 GLN A 44 49.894 -34.073 4.938 1.00 5.12 N ATOM 0 H GLN A 44 50.776 -29.958 1.932 1.00 11.11 H new ATOM 0 HA GLN A 44 51.325 -32.589 0.797 1.00 14.10 H new ATOM 0 HB2 GLN A 44 49.024 -31.520 2.476 1.00 34.11 H new ATOM 0 HB3 GLN A 44 49.340 -33.206 2.117 1.00 34.11 H new ATOM 0 HG2 GLN A 44 51.515 -33.034 3.318 1.00 12.52 H new ATOM 0 HG3 GLN A 44 51.150 -31.365 3.710 1.00 12.52 H new ATOM 0 HE21 GLN A 44 50.357 -34.712 4.292 1.00 5.12 H new ATOM 0 HE22 GLN A 44 49.392 -34.440 5.747 1.00 5.12 H new ATOM 642 N LYS A 45 49.338 -30.534 -0.542 1.00 34.22 N ATOM 643 CA LYS A 45 48.449 -30.309 -1.643 1.00 1.22 C ATOM 644 C LYS A 45 49.223 -30.127 -2.932 1.00 34.45 C ATOM 645 O LYS A 45 50.458 -30.086 -2.930 1.00 73.42 O ATOM 646 CB LYS A 45 47.528 -29.121 -1.380 1.00 41.14 C ATOM 647 CG LYS A 45 46.572 -29.341 -0.217 1.00 41.43 C ATOM 648 CD LYS A 45 45.588 -28.191 -0.059 1.00 52.41 C ATOM 649 CE LYS A 45 46.282 -26.879 0.245 1.00 2.42 C ATOM 650 NZ LYS A 45 45.315 -25.795 0.457 1.00 21.35 N ATOM 0 H LYS A 45 49.710 -29.684 -0.119 1.00 34.22 H new ATOM 0 HA LYS A 45 47.820 -31.193 -1.750 1.00 1.22 H new ATOM 0 HB2 LYS A 45 48.135 -28.238 -1.179 1.00 41.14 H new ATOM 0 HB3 LYS A 45 46.950 -28.913 -2.281 1.00 41.14 H new ATOM 0 HG2 LYS A 45 46.022 -30.269 -0.371 1.00 41.43 H new ATOM 0 HG3 LYS A 45 47.143 -29.458 0.704 1.00 41.43 H new ATOM 0 HD2 LYS A 45 45.004 -28.087 -0.973 1.00 52.41 H new ATOM 0 HD3 LYS A 45 44.887 -28.423 0.743 1.00 52.41 H new ATOM 0 HE2 LYS A 45 46.904 -26.992 1.133 1.00 2.42 H new ATOM 0 HE3 LYS A 45 46.947 -26.619 -0.578 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 45.660 -25.164 1.208 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 45.200 -25.255 -0.424 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 44.398 -26.198 0.738 1.00 21.35 H new ATOM 664 N ASP A 46 48.512 -30.086 -4.022 1.00 71.23 N ATOM 665 CA ASP A 46 49.113 -29.880 -5.333 1.00 33.11 C ATOM 666 C ASP A 46 48.705 -28.529 -5.867 1.00 43.41 C ATOM 667 O ASP A 46 49.189 -28.076 -6.900 1.00 45.42 O ATOM 668 CB ASP A 46 48.691 -30.984 -6.313 1.00 22.43 C ATOM 669 CG ASP A 46 49.125 -32.359 -5.874 1.00 54.13 C ATOM 670 OD1 ASP A 46 48.359 -33.030 -5.149 1.00 72.22 O ATOM 671 OD2 ASP A 46 50.235 -32.795 -6.232 1.00 45.24 O ATOM 0 H ASP A 46 47.498 -30.193 -4.040 1.00 71.23 H new ATOM 0 HA ASP A 46 50.197 -29.919 -5.229 1.00 33.11 H new ATOM 0 HB2 ASP A 46 47.607 -30.969 -6.423 1.00 22.43 H new ATOM 0 HB3 ASP A 46 49.114 -30.772 -7.295 1.00 22.43 H new ATOM 676 N THR A 47 47.811 -27.896 -5.157 1.00 73.34 N ATOM 677 CA THR A 47 47.326 -26.586 -5.490 1.00 64.41 C ATOM 678 C THR A 47 47.329 -25.737 -4.261 1.00 71.43 C ATOM 679 O THR A 47 47.125 -26.251 -3.148 1.00 40.44 O ATOM 680 CB THR A 47 45.918 -26.624 -6.063 1.00 20.33 C ATOM 681 OG1 THR A 47 45.150 -27.683 -5.429 1.00 44.41 O ATOM 682 CG2 THR A 47 45.918 -26.777 -7.578 1.00 54.35 C ATOM 0 H THR A 47 47.391 -28.286 -4.313 1.00 73.34 H new ATOM 0 HA THR A 47 47.985 -26.171 -6.252 1.00 64.41 H new ATOM 0 HB THR A 47 45.444 -25.666 -5.846 1.00 20.33 H new ATOM 0 HG1 THR A 47 44.244 -27.699 -5.803 1.00 44.41 H new ATOM 0 HG21 THR A 47 44.891 -26.799 -7.941 1.00 54.35 H new ATOM 0 HG22 THR A 47 46.444 -25.936 -8.029 1.00 54.35 H new ATOM 0 HG23 THR A 47 46.419 -27.706 -7.850 1.00 54.35 H new ATOM 690 N TYR A 48 47.577 -24.459 -4.426 1.00 21.32 N ATOM 691 CA TYR A 48 47.720 -23.582 -3.292 1.00 72.11 C ATOM 692 C TYR A 48 47.195 -22.214 -3.653 1.00 63.32 C ATOM 693 O TYR A 48 47.081 -21.889 -4.840 1.00 44.22 O ATOM 694 CB TYR A 48 49.207 -23.408 -2.970 1.00 30.34 C ATOM 695 CG TYR A 48 50.028 -24.676 -2.980 1.00 40.51 C ATOM 696 CD1 TYR A 48 49.989 -25.574 -1.928 1.00 21.34 C ATOM 697 CD2 TYR A 48 50.827 -24.978 -4.075 1.00 63.43 C ATOM 698 CE1 TYR A 48 50.728 -26.735 -1.968 1.00 2.02 C ATOM 699 CE2 TYR A 48 51.565 -26.132 -4.122 1.00 12.51 C ATOM 700 CZ TYR A 48 51.518 -27.007 -3.075 1.00 2.34 C ATOM 701 OH TYR A 48 52.267 -28.155 -3.129 1.00 72.12 O ATOM 0 H TYR A 48 47.683 -24.006 -5.333 1.00 21.32 H new ATOM 0 HA TYR A 48 47.178 -24.008 -2.448 1.00 72.11 H new ATOM 0 HB2 TYR A 48 49.637 -22.712 -3.690 1.00 30.34 H new ATOM 0 HB3 TYR A 48 49.296 -22.946 -1.987 1.00 30.34 H new ATOM 0 HD1 TYR A 48 49.373 -25.362 -1.067 1.00 21.34 H new ATOM 0 HD2 TYR A 48 50.868 -24.290 -4.906 1.00 63.43 H new ATOM 0 HE1 TYR A 48 50.693 -27.430 -1.142 1.00 2.02 H new ATOM 0 HE2 TYR A 48 52.180 -26.348 -4.983 1.00 12.51 H new ATOM 0 HH TYR A 48 51.678 -28.923 -3.286 1.00 72.12 H new ATOM 711 N THR A 49 46.856 -21.444 -2.658 1.00 4.35 N ATOM 712 CA THR A 49 46.535 -20.052 -2.844 1.00 1.34 C ATOM 713 C THR A 49 47.805 -19.236 -2.565 1.00 15.00 C ATOM 714 O THR A 49 48.747 -19.757 -1.947 1.00 52.25 O ATOM 715 CB THR A 49 45.412 -19.593 -1.878 1.00 51.02 C ATOM 716 OG1 THR A 49 45.736 -19.977 -0.537 1.00 64.22 O ATOM 717 CG2 THR A 49 44.063 -20.172 -2.265 1.00 61.52 C ATOM 0 H THR A 49 46.793 -21.762 -1.691 1.00 4.35 H new ATOM 0 HA THR A 49 46.179 -19.901 -3.863 1.00 1.34 H new ATOM 0 HB THR A 49 45.341 -18.507 -1.945 1.00 51.02 H new ATOM 0 HG1 THR A 49 45.550 -20.931 -0.416 1.00 64.22 H new ATOM 0 HG21 THR A 49 43.304 -19.826 -1.563 1.00 61.52 H new ATOM 0 HG22 THR A 49 43.802 -19.846 -3.272 1.00 61.52 H new ATOM 0 HG23 THR A 49 44.113 -21.261 -2.238 1.00 61.52 H new ATOM 725 N MET A 50 47.823 -17.978 -2.992 1.00 21.14 N ATOM 726 CA MET A 50 48.970 -17.060 -2.792 1.00 1.43 C ATOM 727 C MET A 50 49.382 -16.977 -1.322 1.00 72.53 C ATOM 728 O MET A 50 50.566 -16.895 -0.992 1.00 74.21 O ATOM 729 CB MET A 50 48.630 -15.658 -3.305 1.00 22.31 C ATOM 730 CG MET A 50 48.475 -15.554 -4.818 1.00 4.50 C ATOM 731 SD MET A 50 49.982 -16.003 -5.708 1.00 33.11 S ATOM 732 CE MET A 50 51.143 -14.847 -4.988 1.00 73.31 C ATOM 0 H MET A 50 47.043 -17.551 -3.492 1.00 21.14 H new ATOM 0 HA MET A 50 49.808 -17.465 -3.359 1.00 1.43 H new ATOM 0 HB2 MET A 50 47.703 -15.329 -2.835 1.00 22.31 H new ATOM 0 HB3 MET A 50 49.412 -14.969 -2.985 1.00 22.31 H new ATOM 0 HG2 MET A 50 47.661 -16.203 -5.141 1.00 4.50 H new ATOM 0 HG3 MET A 50 48.193 -14.534 -5.081 1.00 4.50 H new ATOM 0 HE1 MET A 50 51.882 -14.560 -5.736 1.00 73.31 H new ATOM 0 HE2 MET A 50 50.609 -13.960 -4.647 1.00 73.31 H new ATOM 0 HE3 MET A 50 51.646 -15.316 -4.142 1.00 73.31 H new ATOM 742 N LYS A 51 48.390 -17.038 -0.462 1.00 14.32 N ATOM 743 CA LYS A 51 48.550 -16.991 0.988 1.00 64.44 C ATOM 744 C LYS A 51 49.440 -18.156 1.461 1.00 30.11 C ATOM 745 O LYS A 51 50.377 -17.988 2.243 1.00 14.04 O ATOM 746 CB LYS A 51 47.150 -17.130 1.599 1.00 41.10 C ATOM 747 CG LYS A 51 47.068 -17.027 3.105 1.00 73.21 C ATOM 748 CD LYS A 51 45.646 -17.292 3.569 1.00 42.42 C ATOM 749 CE LYS A 51 45.467 -17.050 5.056 1.00 70.32 C ATOM 750 NZ LYS A 51 45.567 -15.618 5.415 1.00 25.31 N ATOM 0 H LYS A 51 47.416 -17.124 -0.754 1.00 14.32 H new ATOM 0 HA LYS A 51 49.022 -16.057 1.294 1.00 64.44 H new ATOM 0 HB2 LYS A 51 46.509 -16.361 1.167 1.00 41.10 H new ATOM 0 HB3 LYS A 51 46.739 -18.093 1.298 1.00 41.10 H new ATOM 0 HG2 LYS A 51 47.748 -17.744 3.564 1.00 73.21 H new ATOM 0 HG3 LYS A 51 47.385 -16.035 3.427 1.00 73.21 H new ATOM 0 HD2 LYS A 51 44.961 -16.651 3.014 1.00 42.42 H new ATOM 0 HD3 LYS A 51 45.377 -18.322 3.337 1.00 42.42 H new ATOM 0 HE2 LYS A 51 44.495 -17.432 5.368 1.00 70.32 H new ATOM 0 HE3 LYS A 51 46.222 -17.612 5.605 1.00 70.32 H new ATOM 0 HZ1 LYS A 51 45.288 -15.489 6.409 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 46.547 -15.295 5.286 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 44.936 -15.062 4.803 1.00 25.31 H new ATOM 764 N GLU A 52 49.180 -19.307 0.896 1.00 55.54 N ATOM 765 CA GLU A 52 49.833 -20.545 1.281 1.00 75.23 C ATOM 766 C GLU A 52 51.232 -20.618 0.715 1.00 14.34 C ATOM 767 O GLU A 52 52.117 -21.278 1.280 1.00 34.14 O ATOM 768 CB GLU A 52 48.995 -21.718 0.828 1.00 51.14 C ATOM 769 CG GLU A 52 47.600 -21.682 1.408 1.00 60.21 C ATOM 770 CD GLU A 52 46.728 -22.765 0.875 1.00 40.45 C ATOM 771 OE1 GLU A 52 46.157 -22.594 -0.234 1.00 4.25 O ATOM 772 OE2 GLU A 52 46.578 -23.792 1.545 1.00 34.40 O ATOM 0 H GLU A 52 48.500 -19.419 0.144 1.00 55.54 H new ATOM 0 HA GLU A 52 49.924 -20.578 2.367 1.00 75.23 H new ATOM 0 HB2 GLU A 52 48.934 -21.720 -0.260 1.00 51.14 H new ATOM 0 HB3 GLU A 52 49.485 -22.647 1.121 1.00 51.14 H new ATOM 0 HG2 GLU A 52 47.660 -21.770 2.493 1.00 60.21 H new ATOM 0 HG3 GLU A 52 47.146 -20.715 1.191 1.00 60.21 H new ATOM 779 N VAL A 53 51.443 -19.920 -0.387 1.00 43.32 N ATOM 780 CA VAL A 53 52.752 -19.844 -0.996 1.00 51.12 C ATOM 781 C VAL A 53 53.642 -19.079 -0.065 1.00 21.10 C ATOM 782 O VAL A 53 54.732 -19.484 0.177 1.00 11.23 O ATOM 783 CB VAL A 53 52.711 -19.143 -2.367 1.00 30.31 C ATOM 784 CG1 VAL A 53 54.058 -19.208 -3.059 1.00 1.34 C ATOM 785 CG2 VAL A 53 51.634 -19.737 -3.236 1.00 10.42 C ATOM 0 H VAL A 53 50.718 -19.396 -0.878 1.00 43.32 H new ATOM 0 HA VAL A 53 53.126 -20.854 -1.165 1.00 51.12 H new ATOM 0 HB VAL A 53 52.475 -18.092 -2.198 1.00 30.31 H new ATOM 0 HG11 VAL A 53 53.996 -18.705 -4.024 1.00 1.34 H new ATOM 0 HG12 VAL A 53 54.809 -18.716 -2.441 1.00 1.34 H new ATOM 0 HG13 VAL A 53 54.339 -20.250 -3.211 1.00 1.34 H new ATOM 0 HG21 VAL A 53 51.622 -19.228 -4.200 1.00 10.42 H new ATOM 0 HG22 VAL A 53 51.833 -20.798 -3.389 1.00 10.42 H new ATOM 0 HG23 VAL A 53 50.666 -19.616 -2.750 1.00 10.42 H new ATOM 795 N LEU A 54 53.130 -18.001 0.505 1.00 70.30 N ATOM 796 CA LEU A 54 53.885 -17.224 1.487 1.00 2.43 C ATOM 797 C LEU A 54 54.324 -18.129 2.621 1.00 14.03 C ATOM 798 O LEU A 54 55.466 -18.083 3.057 1.00 21.52 O ATOM 799 CB LEU A 54 53.068 -16.071 2.066 1.00 11.33 C ATOM 800 CG LEU A 54 52.461 -15.082 1.085 1.00 21.01 C ATOM 801 CD1 LEU A 54 51.807 -13.952 1.823 1.00 70.35 C ATOM 802 CD2 LEU A 54 53.484 -14.588 0.078 1.00 72.44 C ATOM 0 H LEU A 54 52.196 -17.640 0.308 1.00 70.30 H new ATOM 0 HA LEU A 54 54.747 -16.801 0.971 1.00 2.43 H new ATOM 0 HB2 LEU A 54 52.259 -16.496 2.659 1.00 11.33 H new ATOM 0 HB3 LEU A 54 53.708 -15.516 2.752 1.00 11.33 H new ATOM 0 HG LEU A 54 51.691 -15.599 0.512 1.00 21.01 H new ATOM 0 HD11 LEU A 54 51.376 -13.251 1.108 1.00 70.35 H new ATOM 0 HD12 LEU A 54 51.019 -14.345 2.465 1.00 70.35 H new ATOM 0 HD13 LEU A 54 52.550 -13.438 2.433 1.00 70.35 H new ATOM 0 HD21 LEU A 54 53.011 -13.883 -0.605 1.00 72.44 H new ATOM 0 HD22 LEU A 54 54.301 -14.092 0.603 1.00 72.44 H new ATOM 0 HD23 LEU A 54 53.876 -15.434 -0.487 1.00 72.44 H new ATOM 814 N PHE A 55 53.440 -19.007 3.040 1.00 3.44 N ATOM 815 CA PHE A 55 53.786 -19.907 4.113 1.00 31.34 C ATOM 816 C PHE A 55 54.887 -20.891 3.706 1.00 34.30 C ATOM 817 O PHE A 55 55.985 -20.855 4.261 1.00 13.01 O ATOM 818 CB PHE A 55 52.566 -20.626 4.707 1.00 43.03 C ATOM 819 CG PHE A 55 51.665 -19.720 5.510 1.00 50.44 C ATOM 820 CD1 PHE A 55 52.117 -19.154 6.693 1.00 43.53 C ATOM 821 CD2 PHE A 55 50.382 -19.429 5.087 1.00 13.12 C ATOM 822 CE1 PHE A 55 51.306 -18.320 7.435 1.00 44.21 C ATOM 823 CE2 PHE A 55 49.565 -18.594 5.826 1.00 72.04 C ATOM 824 CZ PHE A 55 50.028 -18.040 7.001 1.00 42.14 C ATOM 0 H PHE A 55 52.498 -19.115 2.664 1.00 3.44 H new ATOM 0 HA PHE A 55 54.190 -19.284 4.911 1.00 31.34 H new ATOM 0 HB2 PHE A 55 51.989 -21.075 3.898 1.00 43.03 H new ATOM 0 HB3 PHE A 55 52.909 -21.441 5.344 1.00 43.03 H new ATOM 0 HD1 PHE A 55 53.118 -19.369 7.038 1.00 43.53 H new ATOM 0 HD2 PHE A 55 50.013 -19.859 4.168 1.00 13.12 H new ATOM 0 HE1 PHE A 55 51.672 -17.887 8.354 1.00 44.21 H new ATOM 0 HE2 PHE A 55 48.564 -18.376 5.483 1.00 72.04 H new ATOM 0 HZ PHE A 55 49.391 -17.388 7.580 1.00 42.14 H new ATOM 834 N TYR A 56 54.624 -21.705 2.714 1.00 63.30 N ATOM 835 CA TYR A 56 55.569 -22.733 2.299 1.00 1.22 C ATOM 836 C TYR A 56 56.809 -22.188 1.607 1.00 62.54 C ATOM 837 O TYR A 56 57.911 -22.663 1.874 1.00 21.03 O ATOM 838 CB TYR A 56 54.915 -23.774 1.416 1.00 51.34 C ATOM 839 CG TYR A 56 53.870 -24.578 2.097 1.00 64.03 C ATOM 840 CD1 TYR A 56 54.198 -25.394 3.157 1.00 1.33 C ATOM 841 CD2 TYR A 56 52.560 -24.532 1.677 1.00 33.42 C ATOM 842 CE1 TYR A 56 53.243 -26.150 3.796 1.00 50.53 C ATOM 843 CE2 TYR A 56 51.589 -25.279 2.302 1.00 32.12 C ATOM 844 CZ TYR A 56 51.937 -26.089 3.367 1.00 61.21 C ATOM 845 OH TYR A 56 50.974 -26.844 3.999 1.00 44.45 O ATOM 0 H TYR A 56 53.761 -21.682 2.171 1.00 63.30 H new ATOM 0 HA TYR A 56 55.897 -23.197 3.229 1.00 1.22 H new ATOM 0 HB2 TYR A 56 54.471 -23.276 0.554 1.00 51.34 H new ATOM 0 HB3 TYR A 56 55.684 -24.446 1.035 1.00 51.34 H new ATOM 0 HD1 TYR A 56 55.223 -25.441 3.492 1.00 1.33 H new ATOM 0 HD2 TYR A 56 52.291 -23.900 0.844 1.00 33.42 H new ATOM 0 HE1 TYR A 56 53.515 -26.785 4.626 1.00 50.53 H new ATOM 0 HE2 TYR A 56 50.564 -25.233 1.964 1.00 32.12 H new ATOM 0 HH TYR A 56 50.104 -26.686 3.576 1.00 44.45 H new ATOM 855 N LEU A 57 56.650 -21.188 0.740 1.00 33.41 N ATOM 856 CA LEU A 57 57.783 -20.659 0.000 1.00 40.31 C ATOM 857 C LEU A 57 58.743 -20.019 0.999 1.00 40.54 C ATOM 858 O LEU A 57 59.959 -20.135 0.881 1.00 5.14 O ATOM 859 CB LEU A 57 57.307 -19.648 -1.094 1.00 53.03 C ATOM 860 CG LEU A 57 58.262 -19.349 -2.277 1.00 24.54 C ATOM 861 CD1 LEU A 57 57.527 -18.622 -3.383 1.00 53.32 C ATOM 862 CD2 LEU A 57 59.443 -18.514 -1.860 1.00 3.30 C ATOM 0 H LEU A 57 55.758 -20.736 0.538 1.00 33.41 H new ATOM 0 HA LEU A 57 58.302 -21.459 -0.529 1.00 40.31 H new ATOM 0 HB2 LEU A 57 56.370 -20.021 -1.508 1.00 53.03 H new ATOM 0 HB3 LEU A 57 57.083 -18.703 -0.600 1.00 53.03 H new ATOM 0 HG LEU A 57 58.625 -20.313 -2.632 1.00 24.54 H new ATOM 0 HD11 LEU A 57 58.214 -18.421 -4.205 1.00 53.32 H new ATOM 0 HD12 LEU A 57 56.704 -19.241 -3.741 1.00 53.32 H new ATOM 0 HD13 LEU A 57 57.133 -17.680 -3.000 1.00 53.32 H new ATOM 0 HD21 LEU A 57 60.083 -18.331 -2.724 1.00 3.30 H new ATOM 0 HD22 LEU A 57 59.093 -17.562 -1.460 1.00 3.30 H new ATOM 0 HD23 LEU A 57 60.010 -19.043 -1.094 1.00 3.30 H new ATOM 874 N GLY A 58 58.160 -19.427 2.035 1.00 34.05 N ATOM 875 CA GLY A 58 58.925 -18.798 3.086 1.00 74.30 C ATOM 876 C GLY A 58 59.768 -19.785 3.851 1.00 10.41 C ATOM 877 O GLY A 58 60.909 -19.479 4.208 1.00 32.52 O ATOM 0 H GLY A 58 57.149 -19.374 2.163 1.00 34.05 H new ATOM 0 HA2 GLY A 58 59.569 -18.032 2.654 1.00 74.30 H new ATOM 0 HA3 GLY A 58 58.246 -18.294 3.774 1.00 74.30 H new ATOM 881 N GLN A 59 59.227 -20.993 4.062 1.00 63.23 N ATOM 882 CA GLN A 59 59.942 -22.049 4.780 1.00 64.13 C ATOM 883 C GLN A 59 61.218 -22.370 4.041 1.00 12.12 C ATOM 884 O GLN A 59 62.285 -22.481 4.631 1.00 60.00 O ATOM 885 CB GLN A 59 59.104 -23.334 4.863 1.00 61.45 C ATOM 886 CG GLN A 59 57.702 -23.152 5.400 1.00 71.21 C ATOM 887 CD GLN A 59 57.665 -22.498 6.756 1.00 24.51 C ATOM 888 OE1 GLN A 59 58.573 -22.650 7.578 1.00 74.24 O ATOM 889 NE2 GLN A 59 56.638 -21.753 6.992 1.00 73.55 N ATOM 0 H GLN A 59 58.295 -21.260 3.744 1.00 63.23 H new ATOM 0 HA GLN A 59 60.147 -21.692 5.789 1.00 64.13 H new ATOM 0 HB2 GLN A 59 59.041 -23.773 3.867 1.00 61.45 H new ATOM 0 HB3 GLN A 59 59.628 -24.051 5.495 1.00 61.45 H new ATOM 0 HG2 GLN A 59 57.126 -22.549 4.697 1.00 71.21 H new ATOM 0 HG3 GLN A 59 57.214 -24.125 5.460 1.00 71.21 H new ATOM 0 HE21 GLN A 59 55.908 -21.653 6.287 1.00 73.55 H new ATOM 0 HE22 GLN A 59 56.556 -21.265 7.884 1.00 73.55 H new ATOM 898 N TYR A 60 61.090 -22.448 2.731 1.00 52.35 N ATOM 899 CA TYR A 60 62.169 -22.791 1.843 1.00 12.25 C ATOM 900 C TYR A 60 63.294 -21.745 1.897 1.00 54.12 C ATOM 901 O TYR A 60 64.477 -22.093 1.963 1.00 53.15 O ATOM 902 CB TYR A 60 61.614 -22.927 0.429 1.00 33.44 C ATOM 903 CG TYR A 60 62.593 -23.436 -0.585 1.00 22.14 C ATOM 904 CD1 TYR A 60 62.926 -24.777 -0.625 1.00 3.25 C ATOM 905 CD2 TYR A 60 63.164 -22.587 -1.519 1.00 22.44 C ATOM 906 CE1 TYR A 60 63.798 -25.263 -1.565 1.00 41.23 C ATOM 907 CE2 TYR A 60 64.044 -23.065 -2.462 1.00 63.13 C ATOM 908 CZ TYR A 60 64.357 -24.409 -2.479 1.00 64.01 C ATOM 909 OH TYR A 60 65.226 -24.900 -3.430 1.00 62.05 O ATOM 0 H TYR A 60 60.209 -22.269 2.249 1.00 52.35 H new ATOM 0 HA TYR A 60 62.605 -23.739 2.157 1.00 12.25 H new ATOM 0 HB2 TYR A 60 60.756 -23.599 0.454 1.00 33.44 H new ATOM 0 HB3 TYR A 60 61.248 -21.954 0.103 1.00 33.44 H new ATOM 0 HD1 TYR A 60 62.492 -25.453 0.096 1.00 3.25 H new ATOM 0 HD2 TYR A 60 62.915 -21.536 -1.507 1.00 22.44 H new ATOM 0 HE1 TYR A 60 64.043 -26.315 -1.585 1.00 41.23 H new ATOM 0 HE2 TYR A 60 64.486 -22.394 -3.183 1.00 63.13 H new ATOM 0 HH TYR A 60 65.533 -24.166 -4.002 1.00 62.05 H new ATOM 919 N ILE A 61 62.919 -20.478 1.939 1.00 22.33 N ATOM 920 CA ILE A 61 63.897 -19.392 1.953 1.00 54.32 C ATOM 921 C ILE A 61 64.592 -19.393 3.311 1.00 22.41 C ATOM 922 O ILE A 61 65.808 -19.200 3.411 1.00 45.34 O ATOM 923 CB ILE A 61 63.223 -18.002 1.750 1.00 71.30 C ATOM 924 CG1 ILE A 61 62.243 -18.040 0.585 1.00 3.12 C ATOM 925 CG2 ILE A 61 64.282 -16.929 1.456 1.00 71.24 C ATOM 926 CD1 ILE A 61 61.487 -16.742 0.374 1.00 12.42 C ATOM 0 H ILE A 61 61.947 -20.171 1.964 1.00 22.33 H new ATOM 0 HA ILE A 61 64.600 -19.554 1.136 1.00 54.32 H new ATOM 0 HB ILE A 61 62.690 -17.759 2.669 1.00 71.30 H new ATOM 0 HG12 ILE A 61 62.788 -18.284 -0.327 1.00 3.12 H new ATOM 0 HG13 ILE A 61 61.526 -18.843 0.753 1.00 3.12 H new ATOM 0 HG21 ILE A 61 63.794 -15.964 1.317 1.00 71.24 H new ATOM 0 HG22 ILE A 61 64.978 -16.866 2.292 1.00 71.24 H new ATOM 0 HG23 ILE A 61 64.827 -17.194 0.550 1.00 71.24 H new ATOM 0 HD11 ILE A 61 60.810 -16.849 -0.473 1.00 12.42 H new ATOM 0 HD12 ILE A 61 60.913 -16.505 1.270 1.00 12.42 H new ATOM 0 HD13 ILE A 61 62.194 -15.937 0.173 1.00 12.42 H new ATOM 938 N MET A 62 63.805 -19.658 4.343 1.00 72.44 N ATOM 939 CA MET A 62 64.278 -19.693 5.722 1.00 41.23 C ATOM 940 C MET A 62 65.203 -20.864 5.995 1.00 61.21 C ATOM 941 O MET A 62 66.233 -20.713 6.647 1.00 12.42 O ATOM 942 CB MET A 62 63.108 -19.761 6.715 1.00 32.32 C ATOM 943 CG MET A 62 62.366 -18.461 6.948 1.00 13.52 C ATOM 944 SD MET A 62 63.389 -17.214 7.754 1.00 44.31 S ATOM 945 CE MET A 62 63.848 -18.059 9.266 1.00 63.31 C ATOM 0 H MET A 62 62.809 -19.857 4.247 1.00 72.44 H new ATOM 0 HA MET A 62 64.835 -18.767 5.861 1.00 41.23 H new ATOM 0 HB2 MET A 62 62.396 -20.505 6.358 1.00 32.32 H new ATOM 0 HB3 MET A 62 63.489 -20.117 7.672 1.00 32.32 H new ATOM 0 HG2 MET A 62 62.011 -18.073 5.993 1.00 13.52 H new ATOM 0 HG3 MET A 62 61.485 -18.654 7.560 1.00 13.52 H new ATOM 0 HE1 MET A 62 64.149 -17.327 10.015 1.00 63.31 H new ATOM 0 HE2 MET A 62 62.996 -18.629 9.637 1.00 63.31 H new ATOM 0 HE3 MET A 62 64.679 -18.736 9.067 1.00 63.31 H new ATOM 955 N THR A 63 64.848 -22.013 5.493 1.00 24.30 N ATOM 956 CA THR A 63 65.570 -23.236 5.798 1.00 13.21 C ATOM 957 C THR A 63 66.937 -23.291 5.107 1.00 64.20 C ATOM 958 O THR A 63 67.880 -23.890 5.620 1.00 74.44 O ATOM 959 CB THR A 63 64.715 -24.508 5.484 1.00 32.20 C ATOM 960 OG1 THR A 63 65.342 -25.693 6.003 1.00 73.21 O ATOM 961 CG2 THR A 63 64.497 -24.683 3.987 1.00 71.34 C ATOM 0 H THR A 63 64.056 -22.138 4.863 1.00 24.30 H new ATOM 0 HA THR A 63 65.759 -23.227 6.871 1.00 13.21 H new ATOM 0 HB THR A 63 63.749 -24.363 5.969 1.00 32.20 H new ATOM 0 HG1 THR A 63 64.788 -26.474 5.795 1.00 73.21 H new ATOM 0 HG21 THR A 63 63.899 -25.577 3.808 1.00 71.34 H new ATOM 0 HG22 THR A 63 63.975 -23.812 3.591 1.00 71.34 H new ATOM 0 HG23 THR A 63 65.461 -24.786 3.489 1.00 71.34 H new ATOM 969 N LYS A 64 67.046 -22.651 3.969 1.00 74.50 N ATOM 970 CA LYS A 64 68.304 -22.646 3.234 1.00 35.22 C ATOM 971 C LYS A 64 69.054 -21.346 3.527 1.00 24.12 C ATOM 972 O LYS A 64 70.220 -21.191 3.169 1.00 50.03 O ATOM 973 CB LYS A 64 68.032 -22.732 1.740 1.00 41.22 C ATOM 974 CG LYS A 64 67.085 -23.836 1.299 1.00 22.42 C ATOM 975 CD LYS A 64 67.644 -25.247 1.475 1.00 13.51 C ATOM 976 CE LYS A 64 66.648 -26.288 0.948 1.00 12.10 C ATOM 977 NZ LYS A 64 67.119 -27.683 1.121 1.00 42.24 N ATOM 0 H LYS A 64 66.290 -22.128 3.527 1.00 74.50 H new ATOM 0 HA LYS A 64 68.902 -23.503 3.544 1.00 35.22 H new ATOM 0 HB2 LYS A 64 67.624 -21.777 1.409 1.00 41.22 H new ATOM 0 HB3 LYS A 64 68.983 -22.868 1.225 1.00 41.22 H new ATOM 0 HG2 LYS A 64 66.157 -23.751 1.865 1.00 22.42 H new ATOM 0 HG3 LYS A 64 66.833 -23.685 0.249 1.00 22.42 H new ATOM 0 HD2 LYS A 64 68.591 -25.339 0.943 1.00 13.51 H new ATOM 0 HD3 LYS A 64 67.851 -25.434 2.529 1.00 13.51 H new ATOM 0 HE2 LYS A 64 65.696 -26.166 1.465 1.00 12.10 H new ATOM 0 HE3 LYS A 64 66.463 -26.102 -0.110 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 66.405 -28.340 0.747 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 68.013 -27.814 0.606 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 67.270 -27.876 2.132 1.00 42.24 H new ATOM 991 N ARG A 65 68.342 -20.415 4.169 1.00 62.41 N ATOM 992 CA ARG A 65 68.857 -19.067 4.516 1.00 10.24 C ATOM 993 C ARG A 65 69.229 -18.303 3.266 1.00 55.32 C ATOM 994 O ARG A 65 70.318 -17.769 3.151 1.00 33.21 O ATOM 995 CB ARG A 65 70.053 -19.068 5.504 1.00 10.13 C ATOM 996 CG ARG A 65 69.726 -19.364 6.966 1.00 12.01 C ATOM 997 CD ARG A 65 69.352 -20.807 7.209 1.00 0.21 C ATOM 998 NE ARG A 65 70.454 -21.728 6.920 1.00 35.32 N ATOM 999 CZ ARG A 65 70.590 -22.935 7.477 1.00 62.31 C ATOM 1000 NH1 ARG A 65 69.656 -23.386 8.318 1.00 53.35 N ATOM 1001 NH2 ARG A 65 71.650 -23.690 7.189 1.00 23.34 N ATOM 0 H ARG A 65 67.380 -20.568 4.470 1.00 62.41 H new ATOM 0 HA ARG A 65 68.036 -18.573 5.035 1.00 10.24 H new ATOM 0 HB2 ARG A 65 70.779 -19.805 5.160 1.00 10.13 H new ATOM 0 HB3 ARG A 65 70.539 -18.094 5.453 1.00 10.13 H new ATOM 0 HG2 ARG A 65 70.587 -19.109 7.584 1.00 12.01 H new ATOM 0 HG3 ARG A 65 68.904 -18.723 7.285 1.00 12.01 H new ATOM 0 HD2 ARG A 65 69.043 -20.929 8.247 1.00 0.21 H new ATOM 0 HD3 ARG A 65 68.494 -21.066 6.589 1.00 0.21 H new ATOM 0 HE ARG A 65 71.163 -21.429 6.251 1.00 35.32 H new ATOM 0 HH11 ARG A 65 68.842 -22.810 8.533 1.00 53.35 H new ATOM 0 HH12 ARG A 65 69.756 -24.307 8.745 1.00 53.35 H new ATOM 0 HH21 ARG A 65 72.360 -23.347 6.542 1.00 23.34 H new ATOM 0 HH22 ARG A 65 71.751 -24.611 7.616 1.00 23.34 H new ATOM 1015 N LEU A 66 68.302 -18.226 2.349 1.00 53.51 N ATOM 1016 CA LEU A 66 68.551 -17.594 1.054 1.00 71.15 C ATOM 1017 C LEU A 66 68.453 -16.076 1.144 1.00 32.04 C ATOM 1018 O LEU A 66 68.649 -15.371 0.159 1.00 73.22 O ATOM 1019 CB LEU A 66 67.552 -18.104 0.024 1.00 33.23 C ATOM 1020 CG LEU A 66 67.502 -19.610 -0.188 1.00 74.22 C ATOM 1021 CD1 LEU A 66 66.407 -19.976 -1.175 1.00 34.12 C ATOM 1022 CD2 LEU A 66 68.848 -20.137 -0.660 1.00 42.44 C ATOM 0 H LEU A 66 67.357 -18.592 2.464 1.00 53.51 H new ATOM 0 HA LEU A 66 69.564 -17.855 0.749 1.00 71.15 H new ATOM 0 HB2 LEU A 66 66.558 -17.768 0.318 1.00 33.23 H new ATOM 0 HB3 LEU A 66 67.778 -17.632 -0.932 1.00 33.23 H new ATOM 0 HG LEU A 66 67.272 -20.079 0.769 1.00 74.22 H new ATOM 0 HD11 LEU A 66 66.388 -21.057 -1.313 1.00 34.12 H new ATOM 0 HD12 LEU A 66 65.444 -19.642 -0.790 1.00 34.12 H new ATOM 0 HD13 LEU A 66 66.603 -19.492 -2.132 1.00 34.12 H new ATOM 0 HD21 LEU A 66 68.786 -21.216 -0.804 1.00 42.44 H new ATOM 0 HD22 LEU A 66 69.115 -19.660 -1.603 1.00 42.44 H new ATOM 0 HD23 LEU A 66 69.609 -19.914 0.088 1.00 42.44 H new ATOM 1034 N TYR A 67 68.149 -15.581 2.309 1.00 50.33 N ATOM 1035 CA TYR A 67 67.984 -14.167 2.503 1.00 63.44 C ATOM 1036 C TYR A 67 69.196 -13.564 3.198 1.00 41.21 C ATOM 1037 O TYR A 67 70.109 -14.288 3.611 1.00 0.14 O ATOM 1038 CB TYR A 67 66.673 -13.856 3.259 1.00 32.51 C ATOM 1039 CG TYR A 67 66.595 -14.398 4.666 1.00 55.05 C ATOM 1040 CD1 TYR A 67 66.426 -15.757 4.904 1.00 24.21 C ATOM 1041 CD2 TYR A 67 66.678 -13.548 5.760 1.00 64.31 C ATOM 1042 CE1 TYR A 67 66.347 -16.249 6.181 1.00 3.00 C ATOM 1043 CE2 TYR A 67 66.598 -14.041 7.040 1.00 44.51 C ATOM 1044 CZ TYR A 67 66.434 -15.388 7.244 1.00 62.24 C ATOM 1045 OH TYR A 67 66.355 -15.878 8.525 1.00 52.04 O ATOM 0 H TYR A 67 68.009 -16.142 3.149 1.00 50.33 H new ATOM 0 HA TYR A 67 67.908 -13.699 1.521 1.00 63.44 H new ATOM 0 HB2 TYR A 67 66.542 -12.775 3.296 1.00 32.51 H new ATOM 0 HB3 TYR A 67 65.838 -14.258 2.685 1.00 32.51 H new ATOM 0 HD1 TYR A 67 66.356 -16.437 4.068 1.00 24.21 H new ATOM 0 HD2 TYR A 67 66.807 -12.487 5.603 1.00 64.31 H new ATOM 0 HE1 TYR A 67 66.217 -17.308 6.348 1.00 3.00 H new ATOM 0 HE2 TYR A 67 66.664 -13.370 7.884 1.00 44.51 H new ATOM 0 HH TYR A 67 66.435 -15.139 9.163 1.00 52.04 H new ATOM 1055 N ASP A 68 69.197 -12.258 3.297 1.00 63.44 N ATOM 1056 CA ASP A 68 70.264 -11.492 3.925 1.00 21.32 C ATOM 1057 C ASP A 68 70.262 -11.776 5.409 1.00 52.35 C ATOM 1058 O ASP A 68 69.217 -11.720 6.064 1.00 13.34 O ATOM 1059 CB ASP A 68 70.005 -10.003 3.691 1.00 1.00 C ATOM 1060 CG ASP A 68 71.131 -9.083 4.068 1.00 51.10 C ATOM 1061 OD1 ASP A 68 71.606 -9.124 5.191 1.00 62.33 O ATOM 1062 OD2 ASP A 68 71.533 -8.251 3.221 1.00 24.12 O ATOM 0 H ASP A 68 68.441 -11.676 2.937 1.00 63.44 H new ATOM 0 HA ASP A 68 71.229 -11.769 3.500 1.00 21.32 H new ATOM 0 HB2 ASP A 68 69.775 -9.854 2.636 1.00 1.00 H new ATOM 0 HB3 ASP A 68 69.118 -9.713 4.255 1.00 1.00 H new ATOM 1067 N GLU A 69 71.409 -12.079 5.946 1.00 63.22 N ATOM 1068 CA GLU A 69 71.505 -12.406 7.352 1.00 62.14 C ATOM 1069 C GLU A 69 71.349 -11.172 8.251 1.00 64.00 C ATOM 1070 O GLU A 69 70.990 -11.297 9.437 1.00 30.11 O ATOM 1071 CB GLU A 69 72.797 -13.146 7.674 1.00 42.41 C ATOM 1072 CG GLU A 69 74.054 -12.404 7.289 1.00 61.33 C ATOM 1073 CD GLU A 69 75.272 -13.055 7.859 1.00 74.11 C ATOM 1074 OE1 GLU A 69 75.796 -14.000 7.251 1.00 24.54 O ATOM 1075 OE2 GLU A 69 75.717 -12.638 8.950 1.00 52.31 O ATOM 0 H GLU A 69 72.293 -12.108 5.438 1.00 63.22 H new ATOM 0 HA GLU A 69 70.671 -13.074 7.566 1.00 62.14 H new ATOM 0 HB2 GLU A 69 72.825 -13.353 8.744 1.00 42.41 H new ATOM 0 HB3 GLU A 69 72.787 -14.109 7.163 1.00 42.41 H new ATOM 0 HG2 GLU A 69 74.136 -12.365 6.203 1.00 61.33 H new ATOM 0 HG3 GLU A 69 73.992 -11.374 7.641 1.00 61.33 H new ATOM 1082 N LYS A 70 71.566 -9.992 7.700 1.00 21.31 N ATOM 1083 CA LYS A 70 71.484 -8.777 8.490 1.00 43.13 C ATOM 1084 C LYS A 70 70.172 -8.086 8.198 1.00 3.23 C ATOM 1085 O LYS A 70 69.583 -7.454 9.065 1.00 14.52 O ATOM 1086 CB LYS A 70 72.560 -7.806 8.042 1.00 51.11 C ATOM 1087 CG LYS A 70 73.901 -8.409 7.701 1.00 5.05 C ATOM 1088 CD LYS A 70 74.627 -9.009 8.891 1.00 31.00 C ATOM 1089 CE LYS A 70 76.025 -9.437 8.478 1.00 65.43 C ATOM 1090 NZ LYS A 70 76.732 -10.206 9.518 1.00 33.03 N ATOM 0 H LYS A 70 71.798 -9.849 6.717 1.00 21.31 H new ATOM 0 HA LYS A 70 71.588 -9.042 9.542 1.00 43.13 H new ATOM 0 HB2 LYS A 70 72.194 -7.268 7.168 1.00 51.11 H new ATOM 0 HB3 LYS A 70 72.707 -7.069 8.831 1.00 51.11 H new ATOM 0 HG2 LYS A 70 73.759 -9.183 6.947 1.00 5.05 H new ATOM 0 HG3 LYS A 70 74.531 -7.640 7.254 1.00 5.05 H new ATOM 0 HD2 LYS A 70 74.684 -8.280 9.699 1.00 31.00 H new ATOM 0 HD3 LYS A 70 74.072 -9.866 9.273 1.00 31.00 H new ATOM 0 HE2 LYS A 70 75.960 -10.040 7.572 1.00 65.43 H new ATOM 0 HE3 LYS A 70 76.610 -8.551 8.230 1.00 65.43 H new ATOM 0 HZ1 LYS A 70 77.712 -9.866 9.595 1.00 33.03 H new ATOM 0 HZ2 LYS A 70 76.249 -10.081 10.431 1.00 33.03 H new ATOM 0 HZ3 LYS A 70 76.734 -11.214 9.263 1.00 33.03 H new ATOM 1104 N GLN A 71 69.705 -8.241 6.983 1.00 50.03 N ATOM 1105 CA GLN A 71 68.482 -7.597 6.546 1.00 5.34 C ATOM 1106 C GLN A 71 67.410 -8.609 6.244 1.00 62.15 C ATOM 1107 O GLN A 71 67.486 -9.325 5.270 1.00 64.52 O ATOM 1108 CB GLN A 71 68.750 -6.731 5.326 1.00 3.32 C ATOM 1109 CG GLN A 71 69.608 -5.508 5.604 1.00 21.51 C ATOM 1110 CD GLN A 71 70.007 -4.773 4.341 1.00 43.20 C ATOM 1111 OE1 GLN A 71 70.132 -3.547 4.338 1.00 23.33 O ATOM 1112 NE2 GLN A 71 70.294 -5.498 3.291 1.00 3.50 N ATOM 0 H GLN A 71 70.156 -8.813 6.270 1.00 50.03 H new ATOM 0 HA GLN A 71 68.126 -6.964 7.359 1.00 5.34 H new ATOM 0 HB2 GLN A 71 69.239 -7.338 4.564 1.00 3.32 H new ATOM 0 HB3 GLN A 71 67.797 -6.405 4.910 1.00 3.32 H new ATOM 0 HG2 GLN A 71 69.062 -4.828 6.258 1.00 21.51 H new ATOM 0 HG3 GLN A 71 70.506 -5.814 6.140 1.00 21.51 H new ATOM 0 HE21 GLN A 71 70.180 -6.511 3.324 1.00 3.50 H new ATOM 0 HE22 GLN A 71 70.632 -5.050 2.439 1.00 3.50 H new ATOM 1121 N GLN A 72 66.396 -8.619 7.048 1.00 33.03 N ATOM 1122 CA GLN A 72 65.344 -9.601 6.930 1.00 64.41 C ATOM 1123 C GLN A 72 64.447 -9.324 5.720 1.00 73.12 C ATOM 1124 O GLN A 72 63.929 -10.243 5.110 1.00 1.14 O ATOM 1125 CB GLN A 72 64.558 -9.676 8.242 1.00 2.34 C ATOM 1126 CG GLN A 72 65.452 -10.061 9.416 1.00 64.34 C ATOM 1127 CD GLN A 72 64.766 -10.039 10.760 1.00 20.23 C ATOM 1128 OE1 GLN A 72 64.741 -9.016 11.435 1.00 21.44 O ATOM 1129 NE2 GLN A 72 64.271 -11.162 11.187 1.00 52.04 N ATOM 0 H GLN A 72 66.265 -7.951 7.808 1.00 33.03 H new ATOM 0 HA GLN A 72 65.790 -10.579 6.751 1.00 64.41 H new ATOM 0 HB2 GLN A 72 64.091 -8.712 8.442 1.00 2.34 H new ATOM 0 HB3 GLN A 72 63.754 -10.405 8.143 1.00 2.34 H new ATOM 0 HG2 GLN A 72 65.849 -11.061 9.241 1.00 64.34 H new ATOM 0 HG3 GLN A 72 66.303 -9.381 9.446 1.00 64.34 H new ATOM 0 HE21 GLN A 72 64.310 -11.993 10.597 1.00 52.04 H new ATOM 0 HE22 GLN A 72 63.844 -11.212 12.112 1.00 52.04 H new ATOM 1138 N HIS A 73 64.268 -8.046 5.370 1.00 20.12 N ATOM 1139 CA HIS A 73 63.453 -7.691 4.194 1.00 23.35 C ATOM 1140 C HIS A 73 64.180 -7.969 2.873 1.00 72.14 C ATOM 1141 O HIS A 73 63.596 -7.812 1.799 1.00 10.11 O ATOM 1142 CB HIS A 73 62.969 -6.203 4.231 1.00 41.31 C ATOM 1143 CG HIS A 73 64.004 -5.139 3.873 1.00 54.10 C ATOM 1144 ND1 HIS A 73 63.880 -4.309 2.766 1.00 32.14 N ATOM 1145 CD2 HIS A 73 65.149 -4.752 4.492 1.00 65.33 C ATOM 1146 CE1 HIS A 73 64.890 -3.471 2.726 1.00 3.33 C ATOM 1147 NE2 HIS A 73 65.680 -3.714 3.761 1.00 73.14 N ATOM 0 H HIS A 73 64.666 -7.251 5.870 1.00 20.12 H new ATOM 0 HA HIS A 73 62.576 -8.337 4.243 1.00 23.35 H new ATOM 0 HB2 HIS A 73 62.126 -6.102 3.548 1.00 41.31 H new ATOM 0 HB3 HIS A 73 62.595 -5.991 5.233 1.00 41.31 H new ATOM 0 HD2 HIS A 73 65.566 -5.180 5.392 1.00 65.33 H new ATOM 0 HE1 HIS A 73 65.050 -2.711 1.975 1.00 3.33 H new ATOM 0 HE2 HIS A 73 66.541 -3.214 3.980 1.00 73.14 H new ATOM 1155 N ILE A 74 65.425 -8.371 2.959 1.00 50.14 N ATOM 1156 CA ILE A 74 66.238 -8.594 1.786 1.00 22.31 C ATOM 1157 C ILE A 74 66.481 -10.064 1.597 1.00 55.40 C ATOM 1158 O ILE A 74 67.109 -10.714 2.417 1.00 73.00 O ATOM 1159 CB ILE A 74 67.600 -7.833 1.857 1.00 31.00 C ATOM 1160 CG1 ILE A 74 67.377 -6.318 1.876 1.00 41.50 C ATOM 1161 CG2 ILE A 74 68.533 -8.221 0.701 1.00 3.51 C ATOM 1162 CD1 ILE A 74 66.675 -5.786 0.647 1.00 73.44 C ATOM 0 H ILE A 74 65.903 -8.553 3.841 1.00 50.14 H new ATOM 0 HA ILE A 74 65.688 -8.200 0.931 1.00 22.31 H new ATOM 0 HB ILE A 74 68.085 -8.128 2.787 1.00 31.00 H new ATOM 0 HG12 ILE A 74 66.791 -6.058 2.758 1.00 41.50 H new ATOM 0 HG13 ILE A 74 68.341 -5.820 1.976 1.00 41.50 H new ATOM 0 HG21 ILE A 74 69.469 -7.669 0.788 1.00 3.51 H new ATOM 0 HG22 ILE A 74 68.737 -9.291 0.742 1.00 3.51 H new ATOM 0 HG23 ILE A 74 68.056 -7.979 -0.249 1.00 3.51 H new ATOM 0 HD11 ILE A 74 66.554 -4.706 0.736 1.00 73.44 H new ATOM 0 HD12 ILE A 74 67.269 -6.013 -0.238 1.00 73.44 H new ATOM 0 HD13 ILE A 74 65.695 -6.255 0.556 1.00 73.44 H new ATOM 1174 N VAL A 75 65.966 -10.584 0.543 1.00 45.43 N ATOM 1175 CA VAL A 75 66.175 -11.947 0.217 1.00 24.42 C ATOM 1176 C VAL A 75 67.112 -11.979 -0.964 1.00 52.54 C ATOM 1177 O VAL A 75 66.980 -11.150 -1.856 1.00 42.31 O ATOM 1178 CB VAL A 75 64.861 -12.642 -0.166 1.00 63.14 C ATOM 1179 CG1 VAL A 75 65.077 -14.122 -0.297 1.00 1.24 C ATOM 1180 CG2 VAL A 75 63.772 -12.347 0.840 1.00 11.12 C ATOM 0 H VAL A 75 65.384 -10.073 -0.121 1.00 45.43 H new ATOM 0 HA VAL A 75 66.586 -12.471 1.080 1.00 24.42 H new ATOM 0 HB VAL A 75 64.536 -12.249 -1.129 1.00 63.14 H new ATOM 0 HG11 VAL A 75 64.138 -14.604 -0.569 1.00 1.24 H new ATOM 0 HG12 VAL A 75 65.821 -14.314 -1.070 1.00 1.24 H new ATOM 0 HG13 VAL A 75 65.429 -14.524 0.653 1.00 1.24 H new ATOM 0 HG21 VAL A 75 62.854 -12.853 0.541 1.00 11.12 H new ATOM 0 HG22 VAL A 75 64.079 -12.703 1.823 1.00 11.12 H new ATOM 0 HG23 VAL A 75 63.597 -11.272 0.882 1.00 11.12 H new ATOM 1190 N TYR A 76 68.061 -12.878 -0.981 1.00 5.33 N ATOM 1191 CA TYR A 76 68.965 -12.917 -2.095 1.00 2.23 C ATOM 1192 C TYR A 76 68.511 -13.939 -3.102 1.00 20.23 C ATOM 1193 O TYR A 76 68.012 -13.588 -4.164 1.00 22.13 O ATOM 1194 CB TYR A 76 70.388 -13.269 -1.669 1.00 71.42 C ATOM 1195 CG TYR A 76 71.062 -12.326 -0.706 1.00 63.21 C ATOM 1196 CD1 TYR A 76 71.126 -10.960 -0.948 1.00 34.51 C ATOM 1197 CD2 TYR A 76 71.695 -12.821 0.417 1.00 72.11 C ATOM 1198 CE1 TYR A 76 71.809 -10.123 -0.090 1.00 53.13 C ATOM 1199 CE2 TYR A 76 72.363 -11.998 1.278 1.00 3.12 C ATOM 1200 CZ TYR A 76 72.425 -10.657 1.025 1.00 44.23 C ATOM 1201 OH TYR A 76 73.128 -9.845 1.882 1.00 11.02 O ATOM 0 H TYR A 76 68.225 -13.576 -0.255 1.00 5.33 H new ATOM 0 HA TYR A 76 68.964 -11.918 -2.532 1.00 2.23 H new ATOM 0 HB2 TYR A 76 70.372 -14.261 -1.218 1.00 71.42 H new ATOM 0 HB3 TYR A 76 71.004 -13.337 -2.566 1.00 71.42 H new ATOM 0 HD1 TYR A 76 70.636 -10.548 -1.818 1.00 34.51 H new ATOM 0 HD2 TYR A 76 71.661 -13.881 0.619 1.00 72.11 H new ATOM 0 HE1 TYR A 76 71.861 -9.063 -0.288 1.00 53.13 H new ATOM 0 HE2 TYR A 76 72.841 -12.406 2.156 1.00 3.12 H new ATOM 0 HH TYR A 76 72.599 -9.045 2.083 1.00 11.02 H new ATOM 1211 N CYS A 77 68.626 -15.217 -2.722 1.00 54.53 N ATOM 1212 CA CYS A 77 68.324 -16.348 -3.609 1.00 52.14 C ATOM 1213 C CYS A 77 69.127 -16.239 -4.928 1.00 4.33 C ATOM 1214 O CYS A 77 68.717 -16.762 -5.963 1.00 62.20 O ATOM 1215 CB CYS A 77 66.822 -16.405 -3.895 1.00 61.41 C ATOM 1216 SG CYS A 77 65.796 -16.558 -2.435 1.00 54.33 S ATOM 0 H CYS A 77 68.931 -15.497 -1.790 1.00 54.53 H new ATOM 0 HA CYS A 77 68.620 -17.271 -3.109 1.00 52.14 H new ATOM 0 HB2 CYS A 77 66.533 -15.503 -4.435 1.00 61.41 H new ATOM 0 HB3 CYS A 77 66.622 -17.249 -4.555 1.00 61.41 H new ATOM 0 HG CYS A 77 66.454 -16.137 -1.396 1.00 54.33 H new ATOM 1222 N SER A 78 70.296 -15.617 -4.842 1.00 74.53 N ATOM 1223 CA SER A 78 71.138 -15.335 -5.983 1.00 1.24 C ATOM 1224 C SER A 78 71.699 -16.622 -6.575 1.00 20.30 C ATOM 1225 O SER A 78 71.647 -16.845 -7.789 1.00 21.43 O ATOM 1226 CB SER A 78 72.276 -14.443 -5.523 1.00 41.00 C ATOM 1227 OG SER A 78 71.773 -13.404 -4.688 1.00 62.31 O ATOM 0 H SER A 78 70.687 -15.291 -3.958 1.00 74.53 H new ATOM 0 HA SER A 78 70.550 -14.839 -6.755 1.00 1.24 H new ATOM 0 HB2 SER A 78 73.014 -15.033 -4.979 1.00 41.00 H new ATOM 0 HB3 SER A 78 72.784 -14.013 -6.386 1.00 41.00 H new ATOM 0 HG SER A 78 71.023 -12.959 -5.135 1.00 62.31 H new ATOM 1233 N ASN A 79 72.183 -17.492 -5.708 1.00 41.54 N ATOM 1234 CA ASN A 79 72.790 -18.740 -6.146 1.00 73.42 C ATOM 1235 C ASN A 79 71.734 -19.845 -6.129 1.00 0.00 C ATOM 1236 O ASN A 79 72.001 -21.023 -6.401 1.00 53.23 O ATOM 1237 CB ASN A 79 74.012 -19.083 -5.258 1.00 72.51 C ATOM 1238 CG ASN A 79 74.876 -20.207 -5.825 1.00 60.42 C ATOM 1239 OD1 ASN A 79 75.749 -19.960 -6.655 1.00 34.51 O ATOM 1240 ND2 ASN A 79 74.695 -21.411 -5.347 1.00 12.14 N ATOM 0 H ASN A 79 72.169 -17.360 -4.697 1.00 41.54 H new ATOM 0 HA ASN A 79 73.158 -18.640 -7.167 1.00 73.42 H new ATOM 0 HB2 ASN A 79 74.625 -18.190 -5.135 1.00 72.51 H new ATOM 0 HB3 ASN A 79 73.662 -19.368 -4.266 1.00 72.51 H new ATOM 0 HD21 ASN A 79 75.288 -22.179 -5.662 1.00 12.14 H new ATOM 0 HD22 ASN A 79 73.961 -21.582 -4.659 1.00 12.14 H new ATOM 1247 N ASP A 80 70.517 -19.445 -5.858 1.00 63.10 N ATOM 1248 CA ASP A 80 69.408 -20.357 -5.823 1.00 44.31 C ATOM 1249 C ASP A 80 68.590 -20.130 -7.082 1.00 54.24 C ATOM 1250 O ASP A 80 68.749 -19.101 -7.751 1.00 62.42 O ATOM 1251 CB ASP A 80 68.546 -20.130 -4.572 1.00 54.35 C ATOM 1252 CG ASP A 80 67.535 -21.237 -4.371 1.00 4.01 C ATOM 1253 OD1 ASP A 80 66.438 -21.164 -4.940 1.00 31.11 O ATOM 1254 OD2 ASP A 80 67.864 -22.233 -3.691 1.00 51.55 O ATOM 0 H ASP A 80 70.270 -18.476 -5.656 1.00 63.10 H new ATOM 0 HA ASP A 80 69.769 -21.385 -5.780 1.00 44.31 H new ATOM 0 HB2 ASP A 80 69.190 -20.064 -3.695 1.00 54.35 H new ATOM 0 HB3 ASP A 80 68.026 -19.176 -4.658 1.00 54.35 H new ATOM 1259 N LEU A 81 67.738 -21.048 -7.408 1.00 71.31 N ATOM 1260 CA LEU A 81 66.958 -20.959 -8.609 1.00 11.32 C ATOM 1261 C LEU A 81 65.771 -19.997 -8.384 1.00 12.11 C ATOM 1262 O LEU A 81 65.338 -19.320 -9.314 1.00 75.03 O ATOM 1263 CB LEU A 81 66.517 -22.395 -9.024 1.00 25.11 C ATOM 1264 CG LEU A 81 65.925 -22.626 -10.442 1.00 40.03 C ATOM 1265 CD1 LEU A 81 64.535 -22.062 -10.585 1.00 43.44 C ATOM 1266 CD2 LEU A 81 66.844 -22.060 -11.516 1.00 21.25 C ATOM 0 H LEU A 81 67.560 -21.884 -6.851 1.00 71.31 H new ATOM 0 HA LEU A 81 67.541 -20.545 -9.432 1.00 11.32 H new ATOM 0 HB2 LEU A 81 67.384 -23.047 -8.920 1.00 25.11 H new ATOM 0 HB3 LEU A 81 65.776 -22.733 -8.300 1.00 25.11 H new ATOM 0 HG LEU A 81 65.850 -23.705 -10.577 1.00 40.03 H new ATOM 0 HD11 LEU A 81 64.168 -22.250 -11.594 1.00 43.44 H new ATOM 0 HD12 LEU A 81 63.873 -22.539 -9.863 1.00 43.44 H new ATOM 0 HD13 LEU A 81 64.558 -20.988 -10.402 1.00 43.44 H new ATOM 0 HD21 LEU A 81 66.406 -22.235 -12.499 1.00 21.25 H new ATOM 0 HD22 LEU A 81 66.969 -20.988 -11.360 1.00 21.25 H new ATOM 0 HD23 LEU A 81 67.816 -22.551 -11.459 1.00 21.25 H new ATOM 1278 N LEU A 82 65.323 -19.894 -7.119 1.00 22.23 N ATOM 1279 CA LEU A 82 64.171 -19.066 -6.707 1.00 31.14 C ATOM 1280 C LEU A 82 64.312 -17.640 -7.246 1.00 51.53 C ATOM 1281 O LEU A 82 63.427 -17.143 -7.954 1.00 75.13 O ATOM 1282 CB LEU A 82 64.107 -19.038 -5.147 1.00 51.31 C ATOM 1283 CG LEU A 82 62.826 -18.508 -4.428 1.00 44.45 C ATOM 1284 CD1 LEU A 82 63.021 -18.599 -2.937 1.00 51.52 C ATOM 1285 CD2 LEU A 82 62.487 -17.066 -4.774 1.00 64.25 C ATOM 0 H LEU A 82 65.757 -20.391 -6.341 1.00 22.23 H new ATOM 0 HA LEU A 82 63.255 -19.495 -7.113 1.00 31.14 H new ATOM 0 HB2 LEU A 82 64.277 -20.056 -4.797 1.00 51.31 H new ATOM 0 HB3 LEU A 82 64.947 -18.437 -4.799 1.00 51.31 H new ATOM 0 HG LEU A 82 62.000 -19.131 -4.771 1.00 44.45 H new ATOM 0 HD11 LEU A 82 62.129 -18.230 -2.430 1.00 51.52 H new ATOM 0 HD12 LEU A 82 63.195 -19.638 -2.656 1.00 51.52 H new ATOM 0 HD13 LEU A 82 63.880 -17.995 -2.645 1.00 51.52 H new ATOM 0 HD21 LEU A 82 61.586 -16.765 -4.239 1.00 64.25 H new ATOM 0 HD22 LEU A 82 63.314 -16.418 -4.484 1.00 64.25 H new ATOM 0 HD23 LEU A 82 62.317 -16.980 -5.847 1.00 64.25 H new ATOM 1297 N GLY A 83 65.441 -17.011 -6.931 1.00 33.33 N ATOM 1298 CA GLY A 83 65.650 -15.628 -7.286 1.00 13.41 C ATOM 1299 C GLY A 83 65.661 -15.448 -8.762 1.00 23.02 C ATOM 1300 O GLY A 83 64.920 -14.607 -9.308 1.00 63.21 O ATOM 0 H GLY A 83 66.218 -17.444 -6.432 1.00 33.33 H new ATOM 0 HA2 GLY A 83 64.863 -15.014 -6.848 1.00 13.41 H new ATOM 0 HA3 GLY A 83 66.595 -15.281 -6.868 1.00 13.41 H new ATOM 1304 N ASP A 84 66.446 -16.287 -9.419 1.00 74.23 N ATOM 1305 CA ASP A 84 66.583 -16.254 -10.860 1.00 72.30 C ATOM 1306 C ASP A 84 65.235 -16.263 -11.509 1.00 60.45 C ATOM 1307 O ASP A 84 64.880 -15.305 -12.164 1.00 21.25 O ATOM 1308 CB ASP A 84 67.395 -17.438 -11.371 1.00 32.43 C ATOM 1309 CG ASP A 84 67.411 -17.484 -12.892 1.00 23.04 C ATOM 1310 OD1 ASP A 84 68.161 -16.706 -13.521 1.00 12.11 O ATOM 1311 OD2 ASP A 84 66.660 -18.276 -13.481 1.00 34.12 O ATOM 0 H ASP A 84 67.005 -17.009 -8.965 1.00 74.23 H new ATOM 0 HA ASP A 84 67.110 -15.336 -11.118 1.00 72.30 H new ATOM 0 HB2 ASP A 84 68.416 -17.370 -10.997 1.00 32.43 H new ATOM 0 HB3 ASP A 84 66.974 -18.365 -10.982 1.00 32.43 H new ATOM 1316 N LEU A 85 64.456 -17.290 -11.168 1.00 51.32 N ATOM 1317 CA LEU A 85 63.151 -17.613 -11.708 1.00 55.15 C ATOM 1318 C LEU A 85 62.139 -16.483 -11.523 1.00 45.10 C ATOM 1319 O LEU A 85 61.223 -16.302 -12.346 1.00 62.02 O ATOM 1320 CB LEU A 85 62.691 -18.825 -10.969 1.00 35.13 C ATOM 1321 CG LEU A 85 61.528 -19.576 -11.533 1.00 61.13 C ATOM 1322 CD1 LEU A 85 61.878 -20.180 -12.888 1.00 14.13 C ATOM 1323 CD2 LEU A 85 61.050 -20.639 -10.564 1.00 34.22 C ATOM 0 H LEU A 85 64.748 -17.960 -10.457 1.00 51.32 H new ATOM 0 HA LEU A 85 63.227 -17.776 -12.783 1.00 55.15 H new ATOM 0 HB2 LEU A 85 63.533 -19.514 -10.895 1.00 35.13 H new ATOM 0 HB3 LEU A 85 62.436 -18.523 -9.953 1.00 35.13 H new ATOM 0 HG LEU A 85 60.709 -18.872 -11.684 1.00 61.13 H new ATOM 0 HD11 LEU A 85 61.016 -20.722 -13.278 1.00 14.13 H new ATOM 0 HD12 LEU A 85 62.151 -19.385 -13.581 1.00 14.13 H new ATOM 0 HD13 LEU A 85 62.717 -20.867 -12.775 1.00 14.13 H new ATOM 0 HD21 LEU A 85 60.203 -21.172 -10.997 1.00 34.22 H new ATOM 0 HD22 LEU A 85 61.859 -21.342 -10.367 1.00 34.22 H new ATOM 0 HD23 LEU A 85 60.743 -20.168 -9.630 1.00 34.22 H new ATOM 1335 N PHE A 86 62.287 -15.752 -10.443 1.00 13.22 N ATOM 1336 CA PHE A 86 61.470 -14.576 -10.171 1.00 14.21 C ATOM 1337 C PHE A 86 61.859 -13.444 -11.108 1.00 25.43 C ATOM 1338 O PHE A 86 61.106 -12.492 -11.329 1.00 74.23 O ATOM 1339 CB PHE A 86 61.636 -14.150 -8.712 1.00 60.11 C ATOM 1340 CG PHE A 86 60.738 -14.874 -7.732 1.00 12.33 C ATOM 1341 CD1 PHE A 86 60.217 -16.132 -8.020 1.00 61.20 C ATOM 1342 CD2 PHE A 86 60.388 -14.276 -6.533 1.00 60.04 C ATOM 1343 CE1 PHE A 86 59.378 -16.772 -7.131 1.00 21.42 C ATOM 1344 CE2 PHE A 86 59.546 -14.910 -5.643 1.00 63.23 C ATOM 1345 CZ PHE A 86 59.043 -16.158 -5.941 1.00 2.54 C ATOM 0 H PHE A 86 62.979 -15.951 -9.720 1.00 13.22 H new ATOM 0 HA PHE A 86 60.422 -14.821 -10.342 1.00 14.21 H new ATOM 0 HB2 PHE A 86 62.673 -14.309 -8.418 1.00 60.11 H new ATOM 0 HB3 PHE A 86 61.444 -13.080 -8.637 1.00 60.11 H new ATOM 0 HD1 PHE A 86 60.473 -16.614 -8.952 1.00 61.20 H new ATOM 0 HD2 PHE A 86 60.780 -13.299 -6.291 1.00 60.04 H new ATOM 0 HE1 PHE A 86 58.985 -17.750 -7.365 1.00 21.42 H new ATOM 0 HE2 PHE A 86 59.281 -14.429 -4.713 1.00 63.23 H new ATOM 0 HZ PHE A 86 58.386 -16.656 -5.243 1.00 2.54 H new ATOM 1355 N GLY A 87 63.026 -13.581 -11.656 1.00 24.41 N ATOM 1356 CA GLY A 87 63.559 -12.628 -12.599 1.00 31.24 C ATOM 1357 C GLY A 87 64.494 -11.706 -11.913 1.00 3.13 C ATOM 1358 O GLY A 87 64.720 -10.582 -12.359 1.00 20.13 O ATOM 0 H GLY A 87 63.649 -14.365 -11.463 1.00 24.41 H new ATOM 0 HA2 GLY A 87 64.076 -13.150 -13.404 1.00 31.24 H new ATOM 0 HA3 GLY A 87 62.747 -12.062 -13.056 1.00 31.24 H new ATOM 1362 N VAL A 88 65.048 -12.165 -10.816 1.00 0.24 N ATOM 1363 CA VAL A 88 65.858 -11.271 -9.977 1.00 65.43 C ATOM 1364 C VAL A 88 67.190 -11.848 -9.487 1.00 62.04 C ATOM 1365 O VAL A 88 67.413 -13.058 -9.490 1.00 2.43 O ATOM 1366 CB VAL A 88 65.061 -10.742 -8.744 1.00 34.42 C ATOM 1367 CG1 VAL A 88 63.982 -9.768 -9.150 1.00 53.13 C ATOM 1368 CG2 VAL A 88 64.471 -11.881 -7.934 1.00 52.45 C ATOM 0 H VAL A 88 64.965 -13.124 -10.478 1.00 0.24 H new ATOM 0 HA VAL A 88 66.101 -10.455 -10.658 1.00 65.43 H new ATOM 0 HB VAL A 88 65.773 -10.209 -8.114 1.00 34.42 H new ATOM 0 HG11 VAL A 88 63.450 -9.423 -8.263 1.00 53.13 H new ATOM 0 HG12 VAL A 88 64.434 -8.915 -9.657 1.00 53.13 H new ATOM 0 HG13 VAL A 88 63.281 -10.261 -9.824 1.00 53.13 H new ATOM 0 HG21 VAL A 88 63.923 -11.477 -7.083 1.00 52.45 H new ATOM 0 HG22 VAL A 88 63.793 -12.460 -8.561 1.00 52.45 H new ATOM 0 HG23 VAL A 88 65.273 -12.526 -7.575 1.00 52.45 H new ATOM 1378 N PRO A 89 68.125 -10.953 -9.097 1.00 11.32 N ATOM 1379 CA PRO A 89 69.357 -11.356 -8.435 1.00 74.43 C ATOM 1380 C PRO A 89 69.141 -11.470 -6.913 1.00 61.01 C ATOM 1381 O PRO A 89 69.868 -12.179 -6.217 1.00 1.24 O ATOM 1382 CB PRO A 89 70.331 -10.221 -8.764 1.00 25.13 C ATOM 1383 CG PRO A 89 69.484 -9.011 -9.054 1.00 40.51 C ATOM 1384 CD PRO A 89 68.078 -9.484 -9.338 1.00 22.11 C ATOM 0 HA PRO A 89 69.719 -12.330 -8.763 1.00 74.43 H new ATOM 0 HB2 PRO A 89 71.006 -10.033 -7.929 1.00 25.13 H new ATOM 0 HB3 PRO A 89 70.951 -10.477 -9.623 1.00 25.13 H new ATOM 0 HG2 PRO A 89 69.492 -8.328 -8.205 1.00 40.51 H new ATOM 0 HG3 PRO A 89 69.882 -8.463 -9.908 1.00 40.51 H new ATOM 0 HD2 PRO A 89 67.355 -8.997 -8.683 1.00 22.11 H new ATOM 0 HD3 PRO A 89 67.782 -9.259 -10.363 1.00 22.11 H new ATOM 1392 N SER A 90 68.139 -10.746 -6.434 1.00 72.45 N ATOM 1393 CA SER A 90 67.715 -10.708 -5.064 1.00 0.12 C ATOM 1394 C SER A 90 66.381 -9.960 -5.034 1.00 72.25 C ATOM 1395 O SER A 90 66.059 -9.256 -6.014 1.00 42.34 O ATOM 1396 CB SER A 90 68.782 -10.003 -4.201 1.00 14.22 C ATOM 1397 OG SER A 90 69.112 -8.721 -4.723 1.00 32.43 O ATOM 0 H SER A 90 67.577 -10.141 -7.033 1.00 72.45 H new ATOM 0 HA SER A 90 67.590 -11.710 -4.654 1.00 0.12 H new ATOM 0 HB2 SER A 90 68.414 -9.898 -3.180 1.00 14.22 H new ATOM 0 HB3 SER A 90 69.679 -10.620 -4.154 1.00 14.22 H new ATOM 0 HG SER A 90 69.789 -8.300 -4.153 1.00 32.43 H new ATOM 1403 N PHE A 91 65.607 -10.091 -3.970 1.00 22.52 N ATOM 1404 CA PHE A 91 64.321 -9.436 -3.922 1.00 23.10 C ATOM 1405 C PHE A 91 63.981 -8.914 -2.523 1.00 42.12 C ATOM 1406 O PHE A 91 64.469 -9.439 -1.517 1.00 74.32 O ATOM 1407 CB PHE A 91 63.197 -10.327 -4.522 1.00 64.21 C ATOM 1408 CG PHE A 91 62.746 -11.587 -3.763 1.00 51.33 C ATOM 1409 CD1 PHE A 91 63.551 -12.740 -3.598 1.00 4.31 C ATOM 1410 CD2 PHE A 91 61.458 -11.637 -3.284 1.00 11.25 C ATOM 1411 CE1 PHE A 91 63.045 -13.856 -2.975 1.00 61.22 C ATOM 1412 CE2 PHE A 91 60.971 -12.754 -2.657 1.00 2.33 C ATOM 1413 CZ PHE A 91 61.759 -13.863 -2.504 1.00 72.40 C ATOM 0 H PHE A 91 65.846 -10.637 -3.142 1.00 22.52 H new ATOM 0 HA PHE A 91 64.391 -8.554 -4.558 1.00 23.10 H new ATOM 0 HB2 PHE A 91 62.319 -9.697 -4.660 1.00 64.21 H new ATOM 0 HB3 PHE A 91 63.523 -10.641 -5.513 1.00 64.21 H new ATOM 0 HD1 PHE A 91 64.567 -12.743 -3.963 1.00 4.31 H new ATOM 0 HD2 PHE A 91 60.816 -10.777 -3.405 1.00 11.25 H new ATOM 0 HE1 PHE A 91 63.665 -14.732 -2.856 1.00 61.22 H new ATOM 0 HE2 PHE A 91 59.959 -12.759 -2.281 1.00 2.33 H new ATOM 0 HZ PHE A 91 61.367 -14.742 -2.013 1.00 72.40 H new ATOM 1423 N SER A 92 63.190 -7.866 -2.471 1.00 13.21 N ATOM 1424 CA SER A 92 62.782 -7.257 -1.230 1.00 63.42 C ATOM 1425 C SER A 92 61.312 -7.567 -0.980 1.00 12.35 C ATOM 1426 O SER A 92 60.457 -7.349 -1.844 1.00 65.40 O ATOM 1427 CB SER A 92 63.022 -5.732 -1.262 1.00 64.34 C ATOM 1428 OG SER A 92 62.676 -5.106 -0.016 1.00 72.34 O ATOM 0 H SER A 92 62.809 -7.409 -3.300 1.00 13.21 H new ATOM 0 HA SER A 92 63.380 -7.667 -0.416 1.00 63.42 H new ATOM 0 HB2 SER A 92 64.070 -5.535 -1.488 1.00 64.34 H new ATOM 0 HB3 SER A 92 62.434 -5.289 -2.066 1.00 64.34 H new ATOM 0 HG SER A 92 63.458 -5.099 0.575 1.00 72.34 H new ATOM 1434 N VAL A 93 61.024 -8.043 0.210 1.00 15.21 N ATOM 1435 CA VAL A 93 59.675 -8.486 0.587 1.00 44.32 C ATOM 1436 C VAL A 93 58.661 -7.333 0.676 1.00 70.53 C ATOM 1437 O VAL A 93 57.440 -7.561 0.653 1.00 62.34 O ATOM 1438 CB VAL A 93 59.695 -9.256 1.927 1.00 54.24 C ATOM 1439 CG1 VAL A 93 60.620 -10.447 1.836 1.00 62.31 C ATOM 1440 CG2 VAL A 93 60.113 -8.350 3.071 1.00 71.25 C ATOM 0 H VAL A 93 61.713 -8.140 0.956 1.00 15.21 H new ATOM 0 HA VAL A 93 59.349 -9.149 -0.214 1.00 44.32 H new ATOM 0 HB VAL A 93 58.684 -9.610 2.128 1.00 54.24 H new ATOM 0 HG11 VAL A 93 60.623 -10.979 2.787 1.00 62.31 H new ATOM 0 HG12 VAL A 93 60.275 -11.116 1.047 1.00 62.31 H new ATOM 0 HG13 VAL A 93 61.630 -10.107 1.607 1.00 62.31 H new ATOM 0 HG21 VAL A 93 60.118 -8.918 4.001 1.00 71.25 H new ATOM 0 HG22 VAL A 93 61.112 -7.959 2.879 1.00 71.25 H new ATOM 0 HG23 VAL A 93 59.409 -7.522 3.155 1.00 71.25 H new ATOM 1450 N LYS A 94 59.163 -6.101 0.799 1.00 25.30 N ATOM 1451 CA LYS A 94 58.307 -4.928 0.917 1.00 34.12 C ATOM 1452 C LYS A 94 57.525 -4.656 -0.356 1.00 43.13 C ATOM 1453 O LYS A 94 56.443 -4.058 -0.318 1.00 62.22 O ATOM 1454 CB LYS A 94 59.098 -3.687 1.325 1.00 44.32 C ATOM 1455 CG LYS A 94 59.858 -3.824 2.633 1.00 11.41 C ATOM 1456 CD LYS A 94 58.982 -4.413 3.723 1.00 61.24 C ATOM 1457 CE LYS A 94 59.656 -4.373 5.074 1.00 64.21 C ATOM 1458 NZ LYS A 94 59.699 -2.999 5.625 1.00 40.32 N ATOM 0 H LYS A 94 60.162 -5.895 0.819 1.00 25.30 H new ATOM 0 HA LYS A 94 57.591 -5.154 1.707 1.00 34.12 H new ATOM 0 HB2 LYS A 94 59.806 -3.446 0.532 1.00 44.32 H new ATOM 0 HB3 LYS A 94 58.411 -2.844 1.405 1.00 44.32 H new ATOM 0 HG2 LYS A 94 60.731 -4.459 2.483 1.00 11.41 H new ATOM 0 HG3 LYS A 94 60.224 -2.847 2.947 1.00 11.41 H new ATOM 0 HD2 LYS A 94 58.042 -3.862 3.770 1.00 61.24 H new ATOM 0 HD3 LYS A 94 58.735 -5.444 3.472 1.00 61.24 H new ATOM 0 HE2 LYS A 94 59.123 -5.026 5.766 1.00 64.21 H new ATOM 0 HE3 LYS A 94 60.671 -4.762 4.986 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 60.011 -3.032 6.616 1.00 40.32 H new ATOM 0 HZ2 LYS A 94 60.365 -2.424 5.071 1.00 40.32 H new ATOM 0 HZ3 LYS A 94 58.751 -2.575 5.575 1.00 40.32 H new ATOM 1472 N GLU A 95 58.042 -5.094 -1.475 1.00 41.22 N ATOM 1473 CA GLU A 95 57.344 -4.922 -2.717 1.00 25.25 C ATOM 1474 C GLU A 95 56.383 -6.067 -2.898 1.00 44.21 C ATOM 1475 O GLU A 95 56.624 -7.015 -3.629 1.00 11.24 O ATOM 1476 CB GLU A 95 58.272 -4.840 -3.868 1.00 62.12 C ATOM 1477 CG GLU A 95 59.230 -3.658 -3.841 1.00 1.24 C ATOM 1478 CD GLU A 95 58.507 -2.330 -3.826 1.00 20.02 C ATOM 1479 OE1 GLU A 95 57.851 -1.971 -4.834 1.00 30.24 O ATOM 1480 OE2 GLU A 95 58.567 -1.611 -2.801 1.00 35.23 O ATOM 0 H GLU A 95 58.941 -5.570 -1.549 1.00 41.22 H new ATOM 0 HA GLU A 95 56.800 -3.978 -2.680 1.00 25.25 H new ATOM 0 HB2 GLU A 95 58.855 -5.760 -3.911 1.00 62.12 H new ATOM 0 HB3 GLU A 95 57.685 -4.792 -4.785 1.00 62.12 H new ATOM 0 HG2 GLU A 95 59.868 -3.731 -2.960 1.00 1.24 H new ATOM 0 HG3 GLU A 95 59.883 -3.703 -4.713 1.00 1.24 H new ATOM 1487 N HIS A 96 55.315 -5.938 -2.216 1.00 61.03 N ATOM 1488 CA HIS A 96 54.295 -6.976 -2.048 1.00 22.11 C ATOM 1489 C HIS A 96 53.654 -7.383 -3.365 1.00 24.20 C ATOM 1490 O HIS A 96 53.476 -8.568 -3.629 1.00 4.12 O ATOM 1491 CB HIS A 96 53.204 -6.543 -1.060 1.00 0.11 C ATOM 1492 CG HIS A 96 53.683 -6.079 0.294 1.00 4.44 C ATOM 1493 ND1 HIS A 96 54.719 -6.669 1.004 1.00 0.33 N ATOM 1494 CD2 HIS A 96 53.258 -5.048 1.061 1.00 64.43 C ATOM 1495 CE1 HIS A 96 54.894 -6.026 2.140 1.00 53.21 C ATOM 1496 NE2 HIS A 96 54.025 -5.037 2.200 1.00 71.43 N ATOM 0 H HIS A 96 55.086 -5.075 -1.722 1.00 61.03 H new ATOM 0 HA HIS A 96 54.818 -7.843 -1.644 1.00 22.11 H new ATOM 0 HB2 HIS A 96 52.629 -5.737 -1.515 1.00 0.11 H new ATOM 0 HB3 HIS A 96 52.521 -7.380 -0.914 1.00 0.11 H new ATOM 0 HD1 HIS A 96 55.261 -7.476 0.694 1.00 0.33 H new ATOM 0 HD2 HIS A 96 52.461 -4.360 0.821 1.00 64.43 H new ATOM 0 HE1 HIS A 96 55.627 -6.268 2.896 1.00 53.21 H new ATOM 1504 N ARG A 97 53.337 -6.411 -4.201 1.00 61.45 N ATOM 1505 CA ARG A 97 52.702 -6.695 -5.485 1.00 2.00 C ATOM 1506 C ARG A 97 53.689 -7.310 -6.456 1.00 60.51 C ATOM 1507 O ARG A 97 53.300 -8.034 -7.359 1.00 63.44 O ATOM 1508 CB ARG A 97 52.037 -5.461 -6.095 1.00 25.22 C ATOM 1509 CG ARG A 97 50.904 -4.886 -5.259 1.00 31.52 C ATOM 1510 CD ARG A 97 50.244 -3.704 -5.952 1.00 61.22 C ATOM 1511 NE ARG A 97 49.175 -3.114 -5.143 1.00 52.14 N ATOM 1512 CZ ARG A 97 48.589 -1.930 -5.375 1.00 35.43 C ATOM 1513 NH1 ARG A 97 48.942 -1.197 -6.425 1.00 32.04 N ATOM 1514 NH2 ARG A 97 47.642 -1.492 -4.558 1.00 50.15 N ATOM 0 H ARG A 97 53.506 -5.421 -4.020 1.00 61.45 H new ATOM 0 HA ARG A 97 51.911 -7.419 -5.290 1.00 2.00 H new ATOM 0 HB2 ARG A 97 52.793 -4.690 -6.241 1.00 25.22 H new ATOM 0 HB3 ARG A 97 51.651 -5.720 -7.081 1.00 25.22 H new ATOM 0 HG2 ARG A 97 50.160 -5.660 -5.071 1.00 31.52 H new ATOM 0 HG3 ARG A 97 51.289 -4.572 -4.289 1.00 31.52 H new ATOM 0 HD2 ARG A 97 50.996 -2.945 -6.167 1.00 61.22 H new ATOM 0 HD3 ARG A 97 49.836 -4.028 -6.909 1.00 61.22 H new ATOM 0 HE ARG A 97 48.849 -3.647 -4.337 1.00 52.14 H new ATOM 0 HH11 ARG A 97 49.664 -1.533 -7.062 1.00 32.04 H new ATOM 0 HH12 ARG A 97 48.491 -0.298 -6.594 1.00 32.04 H new ATOM 0 HH21 ARG A 97 47.361 -2.055 -3.755 1.00 50.15 H new ATOM 0 HH22 ARG A 97 47.195 -0.592 -4.732 1.00 50.15 H new ATOM 1528 N LYS A 98 54.974 -7.048 -6.244 1.00 3.30 N ATOM 1529 CA LYS A 98 56.009 -7.648 -7.078 1.00 1.24 C ATOM 1530 C LYS A 98 56.165 -9.082 -6.694 1.00 33.20 C ATOM 1531 O LYS A 98 56.452 -9.925 -7.526 1.00 63.32 O ATOM 1532 CB LYS A 98 57.363 -6.940 -6.967 1.00 62.12 C ATOM 1533 CG LYS A 98 57.501 -5.620 -7.720 1.00 4.31 C ATOM 1534 CD LYS A 98 56.536 -4.558 -7.245 1.00 4.22 C ATOM 1535 CE LYS A 98 56.912 -3.206 -7.832 1.00 21.35 C ATOM 1536 NZ LYS A 98 56.209 -2.092 -7.180 1.00 63.10 N ATOM 0 H LYS A 98 55.322 -6.431 -5.510 1.00 3.30 H new ATOM 0 HA LYS A 98 55.689 -7.548 -8.115 1.00 1.24 H new ATOM 0 HB2 LYS A 98 57.566 -6.755 -5.912 1.00 62.12 H new ATOM 0 HB3 LYS A 98 58.135 -7.621 -7.326 1.00 62.12 H new ATOM 0 HG2 LYS A 98 58.521 -5.251 -7.609 1.00 4.31 H new ATOM 0 HG3 LYS A 98 57.341 -5.798 -8.783 1.00 4.31 H new ATOM 0 HD2 LYS A 98 55.520 -4.821 -7.540 1.00 4.22 H new ATOM 0 HD3 LYS A 98 56.548 -4.506 -6.156 1.00 4.22 H new ATOM 0 HE2 LYS A 98 57.988 -3.058 -7.735 1.00 21.35 H new ATOM 0 HE3 LYS A 98 56.684 -3.201 -8.898 1.00 21.35 H new ATOM 0 HZ1 LYS A 98 56.253 -1.250 -7.789 1.00 63.10 H new ATOM 0 HZ2 LYS A 98 55.215 -2.354 -7.022 1.00 63.10 H new ATOM 0 HZ3 LYS A 98 56.661 -1.883 -6.267 1.00 63.10 H new ATOM 1550 N ILE A 99 55.965 -9.355 -5.411 1.00 54.20 N ATOM 1551 CA ILE A 99 55.996 -10.708 -4.913 1.00 3.41 C ATOM 1552 C ILE A 99 54.918 -11.485 -5.638 1.00 32.52 C ATOM 1553 O ILE A 99 55.179 -12.545 -6.186 1.00 34.24 O ATOM 1554 CB ILE A 99 55.731 -10.792 -3.378 1.00 74.14 C ATOM 1555 CG1 ILE A 99 56.672 -9.873 -2.579 1.00 62.20 C ATOM 1556 CG2 ILE A 99 55.844 -12.226 -2.883 1.00 53.21 C ATOM 1557 CD1 ILE A 99 58.147 -10.074 -2.842 1.00 13.25 C ATOM 0 H ILE A 99 55.779 -8.648 -4.700 1.00 54.20 H new ATOM 0 HA ILE A 99 56.991 -11.117 -5.089 1.00 3.41 H new ATOM 0 HB ILE A 99 54.711 -10.444 -3.212 1.00 74.14 H new ATOM 0 HG12 ILE A 99 56.418 -8.837 -2.803 1.00 62.20 H new ATOM 0 HG13 ILE A 99 56.485 -10.025 -1.516 1.00 62.20 H new ATOM 0 HG21 ILE A 99 55.655 -12.256 -1.810 1.00 53.21 H new ATOM 0 HG22 ILE A 99 55.112 -12.848 -3.398 1.00 53.21 H new ATOM 0 HG23 ILE A 99 56.847 -12.603 -3.085 1.00 53.21 H new ATOM 0 HD11 ILE A 99 58.723 -9.379 -2.231 1.00 13.25 H new ATOM 0 HD12 ILE A 99 58.426 -11.097 -2.589 1.00 13.25 H new ATOM 0 HD13 ILE A 99 58.357 -9.891 -3.896 1.00 13.25 H new ATOM 1569 N TYR A 100 53.717 -10.896 -5.695 1.00 43.11 N ATOM 1570 CA TYR A 100 52.588 -11.509 -6.383 1.00 15.13 C ATOM 1571 C TYR A 100 52.930 -11.787 -7.822 1.00 34.44 C ATOM 1572 O TYR A 100 52.765 -12.907 -8.287 1.00 3.54 O ATOM 1573 CB TYR A 100 51.334 -10.629 -6.361 1.00 21.14 C ATOM 1574 CG TYR A 100 50.873 -10.187 -4.995 1.00 60.15 C ATOM 1575 CD1 TYR A 100 51.066 -10.979 -3.872 1.00 64.34 C ATOM 1576 CD2 TYR A 100 50.238 -8.971 -4.839 1.00 74.45 C ATOM 1577 CE1 TYR A 100 50.640 -10.567 -2.634 1.00 62.13 C ATOM 1578 CE2 TYR A 100 49.808 -8.545 -3.607 1.00 71.11 C ATOM 1579 CZ TYR A 100 50.007 -9.340 -2.505 1.00 51.34 C ATOM 1580 OH TYR A 100 49.571 -8.907 -1.275 1.00 40.22 O ATOM 0 H TYR A 100 53.508 -9.993 -5.270 1.00 43.11 H new ATOM 0 HA TYR A 100 52.378 -12.434 -5.847 1.00 15.13 H new ATOM 0 HB2 TYR A 100 51.524 -9.742 -6.966 1.00 21.14 H new ATOM 0 HB3 TYR A 100 50.521 -11.174 -6.841 1.00 21.14 H new ATOM 0 HD1 TYR A 100 51.559 -11.934 -3.974 1.00 64.34 H new ATOM 0 HD2 TYR A 100 50.077 -8.343 -5.703 1.00 74.45 H new ATOM 0 HE1 TYR A 100 50.796 -11.193 -1.768 1.00 62.13 H new ATOM 0 HE2 TYR A 100 49.316 -7.589 -3.505 1.00 71.11 H new ATOM 0 HH TYR A 100 50.325 -8.886 -0.649 1.00 40.22 H new ATOM 1590 N THR A 101 53.464 -10.791 -8.514 1.00 71.31 N ATOM 1591 CA THR A 101 53.736 -10.945 -9.916 1.00 4.12 C ATOM 1592 C THR A 101 54.865 -11.922 -10.211 1.00 22.22 C ATOM 1593 O THR A 101 54.799 -12.657 -11.181 1.00 14.53 O ATOM 1594 CB THR A 101 53.945 -9.600 -10.618 1.00 52.21 C ATOM 1595 OG1 THR A 101 54.835 -8.777 -9.856 1.00 1.34 O ATOM 1596 CG2 THR A 101 52.619 -8.898 -10.787 1.00 55.24 C ATOM 0 H THR A 101 53.711 -9.882 -8.124 1.00 71.31 H new ATOM 0 HA THR A 101 52.837 -11.393 -10.339 1.00 4.12 H new ATOM 0 HB THR A 101 54.384 -9.780 -11.599 1.00 52.21 H new ATOM 0 HG1 THR A 101 55.354 -9.338 -9.242 1.00 1.34 H new ATOM 0 HG21 THR A 101 52.775 -7.942 -11.287 1.00 55.24 H new ATOM 0 HG22 THR A 101 51.953 -9.518 -11.388 1.00 55.24 H new ATOM 0 HG23 THR A 101 52.171 -8.727 -9.808 1.00 55.24 H new ATOM 1604 N MET A 102 55.857 -11.981 -9.341 1.00 34.35 N ATOM 1605 CA MET A 102 56.983 -12.888 -9.534 1.00 63.42 C ATOM 1606 C MET A 102 56.581 -14.332 -9.313 1.00 13.22 C ATOM 1607 O MET A 102 57.148 -15.251 -9.916 1.00 73.13 O ATOM 1608 CB MET A 102 58.185 -12.498 -8.677 1.00 43.15 C ATOM 1609 CG MET A 102 58.806 -11.165 -9.077 1.00 11.42 C ATOM 1610 SD MET A 102 60.276 -10.726 -8.108 1.00 45.04 S ATOM 1611 CE MET A 102 59.592 -10.678 -6.449 1.00 54.24 C ATOM 0 H MET A 102 55.910 -11.414 -8.494 1.00 34.35 H new ATOM 0 HA MET A 102 57.293 -12.794 -10.575 1.00 63.42 H new ATOM 0 HB2 MET A 102 57.876 -12.448 -7.633 1.00 43.15 H new ATOM 0 HB3 MET A 102 58.942 -13.279 -8.749 1.00 43.15 H new ATOM 0 HG2 MET A 102 59.075 -11.202 -10.133 1.00 11.42 H new ATOM 0 HG3 MET A 102 58.060 -10.378 -8.965 1.00 11.42 H new ATOM 0 HE1 MET A 102 60.350 -10.317 -5.753 1.00 54.24 H new ATOM 0 HE2 MET A 102 58.733 -10.008 -6.429 1.00 54.24 H new ATOM 0 HE3 MET A 102 59.278 -11.680 -6.156 1.00 54.24 H new ATOM 1621 N ILE A 103 55.580 -14.528 -8.493 1.00 3.21 N ATOM 1622 CA ILE A 103 55.065 -15.852 -8.240 1.00 52.20 C ATOM 1623 C ILE A 103 54.085 -16.200 -9.347 1.00 5.52 C ATOM 1624 O ILE A 103 54.144 -17.283 -9.926 1.00 70.30 O ATOM 1625 CB ILE A 103 54.375 -15.930 -6.859 1.00 14.12 C ATOM 1626 CG1 ILE A 103 55.382 -15.565 -5.766 1.00 12.42 C ATOM 1627 CG2 ILE A 103 53.809 -17.333 -6.613 1.00 5.55 C ATOM 1628 CD1 ILE A 103 54.776 -15.405 -4.382 1.00 2.12 C ATOM 0 H ILE A 103 55.102 -13.783 -7.986 1.00 3.21 H new ATOM 0 HA ILE A 103 55.888 -16.567 -8.228 1.00 52.20 H new ATOM 0 HB ILE A 103 53.545 -15.223 -6.838 1.00 14.12 H new ATOM 0 HG12 ILE A 103 56.151 -16.336 -5.726 1.00 12.42 H new ATOM 0 HG13 ILE A 103 55.878 -14.634 -6.042 1.00 12.42 H new ATOM 0 HG21 ILE A 103 53.328 -17.365 -5.635 1.00 5.55 H new ATOM 0 HG22 ILE A 103 53.078 -17.571 -7.385 1.00 5.55 H new ATOM 0 HG23 ILE A 103 54.618 -18.062 -6.643 1.00 5.55 H new ATOM 0 HD11 ILE A 103 55.559 -15.147 -3.669 1.00 2.12 H new ATOM 0 HD12 ILE A 103 54.028 -14.613 -4.402 1.00 2.12 H new ATOM 0 HD13 ILE A 103 54.305 -16.341 -4.080 1.00 2.12 H new ATOM 1640 N TYR A 104 53.231 -15.231 -9.686 1.00 40.11 N ATOM 1641 CA TYR A 104 52.258 -15.361 -10.752 1.00 44.15 C ATOM 1642 C TYR A 104 52.942 -15.679 -12.090 1.00 13.14 C ATOM 1643 O TYR A 104 52.425 -16.431 -12.908 1.00 40.12 O ATOM 1644 CB TYR A 104 51.379 -14.091 -10.809 1.00 10.23 C ATOM 1645 CG TYR A 104 51.043 -13.643 -12.187 1.00 54.34 C ATOM 1646 CD1 TYR A 104 49.972 -14.168 -12.878 1.00 23.41 C ATOM 1647 CD2 TYR A 104 51.841 -12.713 -12.804 1.00 54.33 C ATOM 1648 CE1 TYR A 104 49.701 -13.772 -14.165 1.00 54.14 C ATOM 1649 CE2 TYR A 104 51.592 -12.310 -14.094 1.00 5.31 C ATOM 1650 CZ TYR A 104 50.516 -12.844 -14.774 1.00 60.51 C ATOM 1651 OH TYR A 104 50.272 -12.472 -16.079 1.00 1.15 O ATOM 0 H TYR A 104 53.203 -14.326 -9.216 1.00 40.11 H new ATOM 0 HA TYR A 104 51.601 -16.206 -10.545 1.00 44.15 H new ATOM 0 HB2 TYR A 104 50.454 -14.279 -10.264 1.00 10.23 H new ATOM 0 HB3 TYR A 104 51.895 -13.282 -10.292 1.00 10.23 H new ATOM 0 HD1 TYR A 104 49.338 -14.900 -12.401 1.00 23.41 H new ATOM 0 HD2 TYR A 104 52.678 -12.291 -12.267 1.00 54.33 H new ATOM 0 HE1 TYR A 104 48.856 -14.185 -14.695 1.00 54.14 H new ATOM 0 HE2 TYR A 104 52.232 -11.583 -14.571 1.00 5.31 H new ATOM 0 HH TYR A 104 50.936 -11.808 -16.360 1.00 1.15 H new ATOM 1661 N ARG A 105 54.106 -15.108 -12.270 1.00 53.53 N ATOM 1662 CA ARG A 105 54.975 -15.322 -13.425 1.00 5.51 C ATOM 1663 C ARG A 105 55.364 -16.800 -13.565 1.00 13.24 C ATOM 1664 O ARG A 105 55.677 -17.278 -14.654 1.00 2.23 O ATOM 1665 CB ARG A 105 56.228 -14.473 -13.205 1.00 24.32 C ATOM 1666 CG ARG A 105 57.339 -14.628 -14.211 1.00 13.52 C ATOM 1667 CD ARG A 105 58.483 -13.716 -13.844 1.00 62.13 C ATOM 1668 NE ARG A 105 59.595 -13.810 -14.776 1.00 23.52 N ATOM 1669 CZ ARG A 105 60.313 -12.770 -15.203 1.00 63.44 C ATOM 1670 NH1 ARG A 105 59.952 -11.522 -14.883 1.00 4.40 N ATOM 1671 NH2 ARG A 105 61.372 -12.975 -15.973 1.00 43.11 N ATOM 0 H ARG A 105 54.500 -14.453 -11.595 1.00 53.53 H new ATOM 0 HA ARG A 105 54.456 -15.038 -14.340 1.00 5.51 H new ATOM 0 HB2 ARG A 105 55.929 -13.425 -13.188 1.00 24.32 H new ATOM 0 HB3 ARG A 105 56.628 -14.707 -12.218 1.00 24.32 H new ATOM 0 HG2 ARG A 105 57.679 -15.663 -14.236 1.00 13.52 H new ATOM 0 HG3 ARG A 105 56.975 -14.388 -15.210 1.00 13.52 H new ATOM 0 HD2 ARG A 105 58.126 -12.687 -13.813 1.00 62.13 H new ATOM 0 HD3 ARG A 105 58.832 -13.963 -12.841 1.00 62.13 H new ATOM 0 HE ARG A 105 59.843 -14.735 -15.128 1.00 23.52 H new ATOM 0 HH11 ARG A 105 59.124 -11.362 -14.310 1.00 4.40 H new ATOM 0 HH12 ARG A 105 60.505 -10.731 -15.212 1.00 4.40 H new ATOM 0 HH21 ARG A 105 61.635 -13.925 -16.237 1.00 43.11 H new ATOM 0 HH22 ARG A 105 61.924 -12.183 -16.302 1.00 43.11 H new ATOM 1685 N ASN A 106 55.309 -17.513 -12.472 1.00 14.40 N ATOM 1686 CA ASN A 106 55.753 -18.879 -12.439 1.00 75.13 C ATOM 1687 C ASN A 106 54.636 -19.869 -12.213 1.00 64.35 C ATOM 1688 O ASN A 106 54.867 -21.066 -11.976 1.00 43.10 O ATOM 1689 CB ASN A 106 56.901 -19.073 -11.475 1.00 32.11 C ATOM 1690 CG ASN A 106 58.171 -18.431 -11.989 1.00 41.53 C ATOM 1691 OD1 ASN A 106 58.874 -19.024 -12.799 1.00 63.30 O ATOM 1692 ND2 ASN A 106 58.484 -17.241 -11.532 1.00 61.11 N ATOM 0 H ASN A 106 54.956 -17.163 -11.581 1.00 14.40 H new ATOM 0 HA ASN A 106 56.131 -19.097 -13.438 1.00 75.13 H new ATOM 0 HB2 ASN A 106 56.641 -18.644 -10.507 1.00 32.11 H new ATOM 0 HB3 ASN A 106 57.069 -20.138 -11.317 1.00 32.11 H new ATOM 0 HD21 ASN A 106 59.336 -16.780 -11.851 1.00 61.11 H new ATOM 0 HD22 ASN A 106 57.875 -16.777 -10.858 1.00 61.11 H new ATOM 1699 N LEU A 107 53.439 -19.383 -12.262 1.00 34.24 N ATOM 1700 CA LEU A 107 52.278 -20.234 -12.187 1.00 22.31 C ATOM 1701 C LEU A 107 51.458 -20.009 -13.445 1.00 22.33 C ATOM 1702 O LEU A 107 51.730 -19.056 -14.184 1.00 3.21 O ATOM 1703 CB LEU A 107 51.479 -19.960 -10.897 1.00 10.31 C ATOM 1704 CG LEU A 107 50.843 -18.585 -10.757 1.00 32.14 C ATOM 1705 CD1 LEU A 107 49.411 -18.549 -11.279 1.00 53.04 C ATOM 1706 CD2 LEU A 107 50.952 -18.075 -9.336 1.00 33.10 C ATOM 0 H LEU A 107 53.230 -18.389 -12.355 1.00 34.24 H new ATOM 0 HA LEU A 107 52.568 -21.284 -12.137 1.00 22.31 H new ATOM 0 HB2 LEU A 107 50.689 -20.708 -10.823 1.00 10.31 H new ATOM 0 HB3 LEU A 107 52.144 -20.113 -10.047 1.00 10.31 H new ATOM 0 HG LEU A 107 51.408 -17.902 -11.391 1.00 32.14 H new ATOM 0 HD11 LEU A 107 49.004 -17.545 -11.156 1.00 53.04 H new ATOM 0 HD12 LEU A 107 49.402 -18.817 -12.336 1.00 53.04 H new ATOM 0 HD13 LEU A 107 48.802 -19.259 -10.720 1.00 53.04 H new ATOM 0 HD21 LEU A 107 50.489 -17.091 -9.266 1.00 33.10 H new ATOM 0 HD22 LEU A 107 50.443 -18.764 -8.662 1.00 33.10 H new ATOM 0 HD23 LEU A 107 52.003 -18.003 -9.055 1.00 33.10 H new ATOM 1718 N VAL A 108 50.520 -20.868 -13.740 1.00 63.11 N ATOM 1719 CA VAL A 108 49.732 -20.671 -14.944 1.00 1.01 C ATOM 1720 C VAL A 108 48.295 -20.298 -14.649 1.00 71.42 C ATOM 1721 O VAL A 108 47.662 -20.887 -13.761 1.00 31.43 O ATOM 1722 CB VAL A 108 49.836 -21.821 -15.997 1.00 35.03 C ATOM 1723 CG1 VAL A 108 51.253 -21.944 -16.495 1.00 45.42 C ATOM 1724 CG2 VAL A 108 49.371 -23.154 -15.456 1.00 72.10 C ATOM 0 H VAL A 108 50.281 -21.691 -13.187 1.00 63.11 H new ATOM 0 HA VAL A 108 50.200 -19.812 -15.425 1.00 1.01 H new ATOM 0 HB VAL A 108 49.172 -21.554 -16.819 1.00 35.03 H new ATOM 0 HG11 VAL A 108 51.313 -22.749 -17.228 1.00 45.42 H new ATOM 0 HG12 VAL A 108 51.558 -21.006 -16.960 1.00 45.42 H new ATOM 0 HG13 VAL A 108 51.915 -22.166 -15.658 1.00 45.42 H new ATOM 0 HG21 VAL A 108 49.466 -23.914 -16.231 1.00 72.10 H new ATOM 0 HG22 VAL A 108 49.983 -23.432 -14.598 1.00 72.10 H new ATOM 0 HG23 VAL A 108 48.328 -23.078 -15.148 1.00 72.10 H new ATOM 1734 N VAL A 109 47.824 -19.290 -15.362 1.00 53.02 N ATOM 1735 CA VAL A 109 46.463 -18.774 -15.304 1.00 54.14 C ATOM 1736 C VAL A 109 46.125 -18.148 -16.643 1.00 41.24 C ATOM 1737 O VAL A 109 45.164 -18.603 -17.331 1.00 0.00 O ATOM 1738 CB VAL A 109 46.194 -17.748 -14.146 1.00 42.33 C ATOM 1739 CG1 VAL A 109 45.983 -18.448 -12.808 1.00 54.03 C ATOM 1740 CG2 VAL A 109 47.333 -16.785 -14.029 1.00 33.31 C ATOM 1741 OXT VAL A 109 46.875 -17.247 -17.073 1.00 0.00 O ATOM 0 H VAL A 109 48.406 -18.784 -16.029 1.00 53.02 H new ATOM 0 HA VAL A 109 45.818 -19.624 -15.082 1.00 54.14 H new ATOM 0 HB VAL A 109 45.281 -17.209 -14.397 1.00 42.33 H new ATOM 0 HG11 VAL A 109 45.800 -17.704 -12.033 1.00 54.03 H new ATOM 0 HG12 VAL A 109 45.125 -19.117 -12.879 1.00 54.03 H new ATOM 0 HG13 VAL A 109 46.873 -19.024 -12.555 1.00 54.03 H new ATOM 0 HG21 VAL A 109 47.132 -16.080 -13.222 1.00 33.31 H new ATOM 0 HG22 VAL A 109 48.251 -17.332 -13.813 1.00 33.31 H new ATOM 0 HG23 VAL A 109 47.447 -16.241 -14.966 1.00 33.31 H new TER 1751 VAL A 109 ATOM 1752 N ASP B 301 58.858 -2.695 18.263 1.00 70.03 N ATOM 1753 CA ASP B 301 57.557 -2.162 17.801 1.00 40.31 C ATOM 1754 C ASP B 301 56.841 -3.129 16.870 1.00 43.41 C ATOM 1755 O ASP B 301 55.924 -2.735 16.141 1.00 3.22 O ATOM 1756 CB ASP B 301 57.720 -0.810 17.098 1.00 55.03 C ATOM 1757 CG ASP B 301 58.121 0.294 18.023 1.00 52.13 C ATOM 1758 OD1 ASP B 301 59.331 0.449 18.302 1.00 11.23 O ATOM 1759 OD2 ASP B 301 57.245 1.040 18.490 1.00 23.31 O ATOM 0 HA ASP B 301 56.949 -2.028 18.696 1.00 40.31 H new ATOM 0 HB2 ASP B 301 58.469 -0.905 16.312 1.00 55.03 H new ATOM 0 HB3 ASP B 301 56.780 -0.545 16.613 1.00 55.03 H new ATOM 1766 N GLY B 302 57.220 -4.382 16.892 1.00 32.14 N ATOM 1767 CA GLY B 302 56.601 -5.333 16.037 1.00 10.15 C ATOM 1768 C GLY B 302 57.486 -6.510 15.824 1.00 44.11 C ATOM 1769 O GLY B 302 58.722 -6.369 15.791 1.00 74.13 O ATOM 0 H GLY B 302 57.953 -4.756 17.495 1.00 32.14 H new ATOM 0 HA2 GLY B 302 55.656 -5.658 16.472 1.00 10.15 H new ATOM 0 HA3 GLY B 302 56.369 -4.869 15.078 1.00 10.15 H new ATOM 1773 N GLY B 303 56.885 -7.660 15.704 1.00 50.33 N ATOM 1774 CA GLY B 303 57.616 -8.882 15.460 1.00 63.40 C ATOM 1775 C GLY B 303 58.011 -9.000 14.008 1.00 53.01 C ATOM 1776 O GLY B 303 57.586 -9.928 13.303 1.00 2.33 O ATOM 0 H GLY B 303 55.875 -7.782 15.772 1.00 50.33 H new ATOM 0 HA2 GLY B 303 58.508 -8.906 16.086 1.00 63.40 H new ATOM 0 HA3 GLY B 303 57.004 -9.738 15.744 1.00 63.40 H new ATOM 1780 N THR B 304 58.825 -8.078 13.559 1.00 72.21 N ATOM 1781 CA THR B 304 59.226 -8.014 12.195 1.00 53.02 C ATOM 1782 C THR B 304 60.361 -8.983 11.871 1.00 61.42 C ATOM 1783 O THR B 304 61.511 -8.597 11.672 1.00 41.25 O ATOM 1784 CB THR B 304 59.566 -6.569 11.774 1.00 73.35 C ATOM 1785 OG1 THR B 304 60.492 -5.987 12.713 1.00 53.13 O ATOM 1786 CG2 THR B 304 58.312 -5.724 11.710 1.00 11.42 C ATOM 0 H THR B 304 59.227 -7.347 14.145 1.00 72.21 H new ATOM 0 HA THR B 304 58.371 -8.336 11.601 1.00 53.02 H new ATOM 0 HB THR B 304 60.022 -6.598 10.784 1.00 73.35 H new ATOM 0 HG1 THR B 304 61.276 -6.569 12.803 1.00 53.13 H new ATOM 0 HG21 THR B 304 58.572 -4.709 11.411 1.00 11.42 H new ATOM 0 HG22 THR B 304 57.622 -6.151 10.982 1.00 11.42 H new ATOM 0 HG23 THR B 304 57.837 -5.703 12.691 1.00 11.42 H new ATOM 1794 N THR B 305 60.043 -10.237 11.927 1.00 33.52 N ATOM 1795 CA THR B 305 60.940 -11.267 11.516 1.00 3.31 C ATOM 1796 C THR B 305 60.510 -11.685 10.131 1.00 54.44 C ATOM 1797 O THR B 305 59.306 -11.567 9.807 1.00 34.54 O ATOM 1798 CB THR B 305 60.943 -12.492 12.505 1.00 43.20 C ATOM 1799 OG1 THR B 305 61.766 -13.554 11.985 1.00 13.01 O ATOM 1800 CG2 THR B 305 59.535 -13.017 12.769 1.00 31.13 C ATOM 0 H THR B 305 59.142 -10.578 12.264 1.00 33.52 H new ATOM 0 HA THR B 305 61.964 -10.893 11.518 1.00 3.31 H new ATOM 0 HB THR B 305 61.353 -12.140 13.452 1.00 43.20 H new ATOM 0 HG1 THR B 305 61.569 -14.386 12.465 1.00 13.01 H new ATOM 0 HG21 THR B 305 59.585 -13.862 13.456 1.00 31.13 H new ATOM 0 HG22 THR B 305 58.928 -12.226 13.210 1.00 31.13 H new ATOM 0 HG23 THR B 305 59.085 -13.339 11.830 1.00 31.13 H new ATOM 1808 N PHE B 306 61.452 -12.158 9.313 1.00 23.43 N ATOM 1809 CA PHE B 306 61.160 -12.585 7.938 1.00 31.21 C ATOM 1810 C PHE B 306 60.017 -13.587 7.937 1.00 61.12 C ATOM 1811 O PHE B 306 59.099 -13.504 7.127 1.00 3.43 O ATOM 1812 CB PHE B 306 62.413 -13.196 7.286 1.00 53.41 C ATOM 1813 CG PHE B 306 62.185 -13.700 5.886 1.00 65.10 C ATOM 1814 CD1 PHE B 306 62.125 -12.826 4.826 1.00 73.14 C ATOM 1815 CD2 PHE B 306 62.031 -15.053 5.638 1.00 42.23 C ATOM 1816 CE1 PHE B 306 61.913 -13.287 3.551 1.00 14.34 C ATOM 1817 CE2 PHE B 306 61.821 -15.518 4.362 1.00 4.02 C ATOM 1818 CZ PHE B 306 61.762 -14.631 3.318 1.00 41.22 C ATOM 0 H PHE B 306 62.432 -12.257 9.579 1.00 23.43 H new ATOM 0 HA PHE B 306 60.863 -11.713 7.355 1.00 31.21 H new ATOM 0 HB2 PHE B 306 63.204 -12.446 7.268 1.00 53.41 H new ATOM 0 HB3 PHE B 306 62.768 -14.020 7.905 1.00 53.41 H new ATOM 0 HD1 PHE B 306 62.246 -11.767 4.999 1.00 73.14 H new ATOM 0 HD2 PHE B 306 62.077 -15.753 6.459 1.00 42.23 H new ATOM 0 HE1 PHE B 306 61.865 -12.590 2.728 1.00 14.34 H new ATOM 0 HE2 PHE B 306 61.703 -16.576 4.182 1.00 4.02 H new ATOM 0 HZ PHE B 306 61.597 -14.990 2.313 1.00 41.22 H new ATOM 1828 N GLU B 307 60.057 -14.453 8.925 1.00 22.24 N ATOM 1829 CA GLU B 307 59.086 -15.514 9.147 1.00 73.43 C ATOM 1830 C GLU B 307 57.652 -14.962 9.198 1.00 33.30 C ATOM 1831 O GLU B 307 56.732 -15.540 8.627 1.00 31.35 O ATOM 1832 CB GLU B 307 59.412 -16.159 10.483 1.00 34.14 C ATOM 1833 CG GLU B 307 60.838 -16.653 10.590 1.00 23.45 C ATOM 1834 CD GLU B 307 61.203 -17.052 11.987 1.00 64.23 C ATOM 1835 OE1 GLU B 307 60.838 -18.157 12.410 1.00 13.13 O ATOM 1836 OE2 GLU B 307 61.882 -16.263 12.687 1.00 53.15 O ATOM 0 H GLU B 307 60.796 -14.441 9.628 1.00 22.24 H new ATOM 0 HA GLU B 307 59.141 -16.230 8.327 1.00 73.43 H new ATOM 0 HB2 GLU B 307 59.226 -15.438 11.279 1.00 34.14 H new ATOM 0 HB3 GLU B 307 58.734 -16.996 10.647 1.00 34.14 H new ATOM 0 HG2 GLU B 307 60.975 -17.505 9.925 1.00 23.45 H new ATOM 0 HG3 GLU B 307 61.517 -15.871 10.250 1.00 23.45 H new ATOM 1843 N HIS B 308 57.492 -13.805 9.820 1.00 4.31 N ATOM 1844 CA HIS B 308 56.178 -13.237 10.032 1.00 63.23 C ATOM 1845 C HIS B 308 55.801 -12.346 8.883 1.00 43.42 C ATOM 1846 O HIS B 308 54.750 -12.511 8.288 1.00 4.03 O ATOM 1847 CB HIS B 308 56.143 -12.409 11.328 1.00 63.24 C ATOM 1848 CG HIS B 308 54.772 -11.868 11.677 1.00 24.31 C ATOM 1849 ND1 HIS B 308 54.467 -10.521 11.665 1.00 22.21 N ATOM 1850 CD2 HIS B 308 53.631 -12.503 12.039 1.00 2.42 C ATOM 1851 CE1 HIS B 308 53.209 -10.345 11.993 1.00 61.43 C ATOM 1852 NE2 HIS B 308 52.668 -11.532 12.229 1.00 65.13 N ATOM 0 H HIS B 308 58.260 -13.243 10.186 1.00 4.31 H new ATOM 0 HA HIS B 308 55.470 -14.062 10.109 1.00 63.23 H new ATOM 0 HB2 HIS B 308 56.499 -13.028 12.152 1.00 63.24 H new ATOM 0 HB3 HIS B 308 56.838 -11.575 11.233 1.00 63.24 H new ATOM 0 HD2 HIS B 308 53.500 -13.568 12.157 1.00 2.42 H new ATOM 0 HE1 HIS B 308 52.701 -9.395 12.059 1.00 61.43 H new ATOM 0 HE2 HIS B 308 51.701 -11.700 12.505 1.00 65.13 H new ATOM 1860 N LEU B 309 56.681 -11.422 8.558 1.00 64.14 N ATOM 1861 CA LEU B 309 56.378 -10.384 7.591 1.00 52.01 C ATOM 1862 C LEU B 309 56.190 -10.896 6.157 1.00 42.30 C ATOM 1863 O LEU B 309 55.380 -10.360 5.406 1.00 13.44 O ATOM 1864 CB LEU B 309 57.349 -9.184 7.724 1.00 30.00 C ATOM 1865 CG LEU B 309 58.870 -9.447 7.656 1.00 51.22 C ATOM 1866 CD1 LEU B 309 59.323 -9.881 6.281 1.00 10.42 C ATOM 1867 CD2 LEU B 309 59.639 -8.228 8.114 1.00 12.40 C ATOM 0 H LEU B 309 57.620 -11.368 8.952 1.00 64.14 H new ATOM 0 HA LEU B 309 55.389 -10.003 7.844 1.00 52.01 H new ATOM 0 HB2 LEU B 309 57.102 -8.471 6.938 1.00 30.00 H new ATOM 0 HB3 LEU B 309 57.141 -8.695 8.675 1.00 30.00 H new ATOM 0 HG LEU B 309 59.082 -10.275 8.332 1.00 51.22 H new ATOM 0 HD11 LEU B 309 60.399 -10.052 6.290 1.00 10.42 H new ATOM 0 HD12 LEU B 309 58.811 -10.802 6.003 1.00 10.42 H new ATOM 0 HD13 LEU B 309 59.085 -9.102 5.557 1.00 10.42 H new ATOM 0 HD21 LEU B 309 60.709 -8.431 8.060 1.00 12.40 H new ATOM 0 HD22 LEU B 309 59.397 -7.382 7.471 1.00 12.40 H new ATOM 0 HD23 LEU B 309 59.366 -7.991 9.142 1.00 12.40 H new ATOM 1879 N TRP B 310 56.885 -11.967 5.813 1.00 43.14 N ATOM 1880 CA TRP B 310 56.759 -12.574 4.504 1.00 14.01 C ATOM 1881 C TRP B 310 55.420 -13.281 4.411 1.00 31.23 C ATOM 1882 O TRP B 310 54.709 -13.181 3.421 1.00 14.12 O ATOM 1883 CB TRP B 310 57.930 -13.544 4.264 1.00 43.11 C ATOM 1884 CG TRP B 310 57.750 -14.457 3.093 1.00 74.31 C ATOM 1885 CD1 TRP B 310 57.350 -15.740 3.143 1.00 32.35 C ATOM 1886 CD2 TRP B 310 57.951 -14.159 1.716 1.00 15.41 C ATOM 1887 NE1 TRP B 310 57.279 -16.263 1.885 1.00 45.03 N ATOM 1888 CE2 TRP B 310 57.645 -15.322 0.990 1.00 2.52 C ATOM 1889 CE3 TRP B 310 58.353 -13.032 1.031 1.00 3.22 C ATOM 1890 CZ2 TRP B 310 57.727 -15.389 -0.391 1.00 23.13 C ATOM 1891 CZ3 TRP B 310 58.439 -13.087 -0.337 1.00 70.43 C ATOM 1892 CH2 TRP B 310 58.129 -14.262 -1.040 1.00 52.42 C ATOM 0 H TRP B 310 57.548 -12.436 6.431 1.00 43.14 H new ATOM 0 HA TRP B 310 56.798 -11.809 3.728 1.00 14.01 H new ATOM 0 HB2 TRP B 310 58.842 -12.964 4.120 1.00 43.11 H new ATOM 0 HB3 TRP B 310 58.075 -14.147 5.160 1.00 43.11 H new ATOM 0 HD1 TRP B 310 57.118 -16.279 4.050 1.00 32.35 H new ATOM 0 HE1 TRP B 310 56.994 -17.215 1.657 1.00 45.03 H new ATOM 0 HE3 TRP B 310 58.596 -12.123 1.561 1.00 3.22 H new ATOM 0 HZ2 TRP B 310 57.483 -16.294 -0.928 1.00 23.13 H new ATOM 0 HZ3 TRP B 310 58.751 -12.209 -0.884 1.00 70.43 H new ATOM 0 HH2 TRP B 310 58.211 -14.272 -2.117 1.00 52.42 H new ATOM 1903 N SER B 311 55.051 -13.911 5.494 1.00 14.42 N ATOM 1904 CA SER B 311 53.824 -14.648 5.572 1.00 14.14 C ATOM 1905 C SER B 311 52.633 -13.699 5.763 1.00 41.41 C ATOM 1906 O SER B 311 51.487 -14.113 5.767 1.00 31.14 O ATOM 1907 CB SER B 311 53.920 -15.624 6.732 1.00 42.43 C ATOM 1908 OG SER B 311 55.128 -16.377 6.642 1.00 14.24 O ATOM 0 H SER B 311 55.600 -13.926 6.353 1.00 14.42 H new ATOM 0 HA SER B 311 53.664 -15.194 4.642 1.00 14.14 H new ATOM 0 HB2 SER B 311 53.890 -15.081 7.677 1.00 42.43 H new ATOM 0 HB3 SER B 311 53.062 -16.296 6.723 1.00 42.43 H new ATOM 0 HG SER B 311 55.736 -16.108 7.362 1.00 14.24 H new ATOM 1914 N SER B 312 52.930 -12.431 5.922 1.00 1.11 N ATOM 1915 CA SER B 312 51.937 -11.431 6.163 1.00 11.44 C ATOM 1916 C SER B 312 51.885 -10.414 5.041 1.00 60.40 C ATOM 1917 O SER B 312 51.348 -9.323 5.218 1.00 41.34 O ATOM 1918 CB SER B 312 52.217 -10.750 7.495 1.00 21.31 C ATOM 1919 OG SER B 312 52.162 -11.697 8.553 1.00 22.34 O ATOM 0 H SER B 312 53.883 -12.068 5.886 1.00 1.11 H new ATOM 0 HA SER B 312 50.961 -11.915 6.202 1.00 11.44 H new ATOM 0 HB2 SER B 312 53.199 -10.278 7.471 1.00 21.31 H new ATOM 0 HB3 SER B 312 51.487 -9.959 7.667 1.00 21.31 H new ATOM 0 HG SER B 312 53.033 -12.138 8.643 1.00 22.34 H new ATOM 1925 N LEU B 313 52.409 -10.750 3.868 1.00 4.23 N ATOM 1926 CA LEU B 313 52.382 -9.766 2.799 1.00 14.51 C ATOM 1927 C LEU B 313 51.194 -9.996 1.893 1.00 52.23 C ATOM 1928 O LEU B 313 51.041 -9.356 0.853 1.00 52.02 O ATOM 1929 CB LEU B 313 53.744 -9.649 2.061 1.00 61.41 C ATOM 1930 CG LEU B 313 54.299 -10.858 1.296 1.00 1.40 C ATOM 1931 CD1 LEU B 313 53.576 -11.077 -0.022 1.00 73.31 C ATOM 1932 CD2 LEU B 313 55.783 -10.682 1.066 1.00 23.23 C ATOM 0 H LEU B 313 52.836 -11.648 3.641 1.00 4.23 H new ATOM 0 HA LEU B 313 52.239 -8.780 3.242 1.00 14.51 H new ATOM 0 HB2 LEU B 313 53.661 -8.825 1.352 1.00 61.41 H new ATOM 0 HB3 LEU B 313 54.491 -9.360 2.800 1.00 61.41 H new ATOM 0 HG LEU B 313 54.131 -11.746 1.905 1.00 1.40 H new ATOM 0 HD11 LEU B 313 54.001 -11.943 -0.531 1.00 73.31 H new ATOM 0 HD12 LEU B 313 52.517 -11.252 0.169 1.00 73.31 H new ATOM 0 HD13 LEU B 313 53.691 -10.194 -0.651 1.00 73.31 H new ATOM 0 HD21 LEU B 313 56.172 -11.543 0.523 1.00 23.23 H new ATOM 0 HD22 LEU B 313 55.956 -9.777 0.484 1.00 23.23 H new ATOM 0 HD23 LEU B 313 56.293 -10.599 2.026 1.00 23.23 H new ATOM 1944 N GLU B 314 50.353 -10.905 2.340 1.00 50.02 N ATOM 1945 CA GLU B 314 49.120 -11.273 1.687 1.00 22.11 C ATOM 1946 C GLU B 314 48.089 -10.152 1.836 1.00 24.03 C ATOM 1947 O GLU B 314 48.178 -9.319 2.747 1.00 52.11 O ATOM 1948 CB GLU B 314 48.526 -12.505 2.382 1.00 41.12 C ATOM 1949 CG GLU B 314 48.277 -12.225 3.849 1.00 31.33 C ATOM 1950 CD GLU B 314 47.569 -13.304 4.620 1.00 73.45 C ATOM 1951 OE1 GLU B 314 47.956 -14.464 4.563 1.00 40.53 O ATOM 1952 OE2 GLU B 314 46.645 -12.982 5.373 1.00 13.23 O ATOM 0 H GLU B 314 50.518 -11.426 3.201 1.00 50.02 H new ATOM 0 HA GLU B 314 49.336 -11.466 0.636 1.00 22.11 H new ATOM 0 HB2 GLU B 314 47.591 -12.787 1.897 1.00 41.12 H new ATOM 0 HB3 GLU B 314 49.206 -13.350 2.279 1.00 41.12 H new ATOM 0 HG2 GLU B 314 49.237 -12.035 4.329 1.00 31.33 H new ATOM 0 HG3 GLU B 314 47.693 -11.308 3.928 1.00 31.33 H new ATOM 1959 N PRO B 315 47.129 -10.109 0.954 1.00 10.45 N ATOM 1960 CA PRO B 315 45.966 -9.247 1.114 1.00 54.32 C ATOM 1961 C PRO B 315 44.974 -9.907 2.070 1.00 3.22 C ATOM 1962 O PRO B 315 44.491 -9.285 3.029 1.00 2.51 O ATOM 1963 CB PRO B 315 45.339 -9.235 -0.276 1.00 25.23 C ATOM 1964 CG PRO B 315 46.324 -9.912 -1.167 1.00 44.42 C ATOM 1965 CD PRO B 315 47.113 -10.823 -0.311 1.00 62.12 C ATOM 0 HA PRO B 315 46.221 -8.259 1.499 1.00 54.32 H new ATOM 0 HB2 PRO B 315 44.383 -9.759 -0.279 1.00 25.23 H new ATOM 0 HB3 PRO B 315 45.145 -8.216 -0.610 1.00 25.23 H new ATOM 0 HG2 PRO B 315 45.816 -10.466 -1.956 1.00 44.42 H new ATOM 0 HG3 PRO B 315 46.970 -9.182 -1.655 1.00 44.42 H new ATOM 0 HD2 PRO B 315 46.647 -11.804 -0.220 1.00 62.12 H new ATOM 0 HD3 PRO B 315 48.118 -10.983 -0.702 1.00 62.12 H new ATOM 1973 N ASP B 316 44.738 -11.196 1.790 1.00 41.21 N ATOM 1974 CA ASP B 316 43.795 -12.072 2.458 1.00 41.22 C ATOM 1975 C ASP B 316 42.407 -11.808 1.956 1.00 10.30 C ATOM 1976 O ASP B 316 41.966 -12.534 1.056 1.00 0.00 O ATOM 1977 CB ASP B 316 43.870 -12.029 3.973 1.00 11.05 C ATOM 1978 CG ASP B 316 42.983 -13.079 4.616 1.00 61.13 C ATOM 1979 OD1 ASP B 316 43.345 -14.281 4.598 1.00 1.52 O ATOM 1980 OD2 ASP B 316 41.916 -12.732 5.166 1.00 52.21 O ATOM 1981 OXT ASP B 316 41.777 -10.824 2.376 1.00 0.00 O ATOM 0 H ASP B 316 45.238 -11.675 1.041 1.00 41.21 H new ATOM 0 HA ASP B 316 44.080 -13.092 2.202 1.00 41.22 H new ATOM 0 HB2 ASP B 316 44.902 -12.183 4.289 1.00 11.05 H new ATOM 0 HB3 ASP B 316 43.573 -11.040 4.323 1.00 11.05 H new TER 1986 ASP B 316