USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 932 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 ASN : amide:sc= -0.0173 X(o=-0.017,f=0.35) USER MOD Set 1.2: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 122 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 112 ASN :FLIP amide:sc= 0.549 F(o=-0.29,f=0.55) USER MOD Set 2.2: A 114 LYS NZ :NH3+ 153:sc= 0 (180deg=0) USER MOD Set 3.1: A 103 SER OG : rot -155:sc= 0.61 USER MOD Set 3.2: A 106 SER OG : rot -178:sc= 0.342 USER MOD Set 4.1: A 37 TYR OH : rot -35:sc= -0.119 USER MOD Set 4.2: A 49 HIS : no HD1:sc= 0.952 K(o=0.42,f=-8.5!) USER MOD Set 4.3: A 77 HIS : no HD1:sc= 0.814 K(o=0.42,f=-8.7!) USER MOD Set 4.4: A 78 MET CE :methyl -133:sc= -1 (180deg=-3.43!) USER MOD Set 4.5: A 81 MET CE :methyl 162:sc= -0.222 (180deg=-0.196) USER MOD Set 5.1: A 17 MET CE :methyl 179:sc= -1.03 (180deg=-1.03) USER MOD Set 5.2: A 113 HIS : no HD1:sc= -1.51 X(o=-2.5,f=-2.2) USER MOD Set 6.1: A 1 MET N :NH3+ -176:sc= 0.697 (180deg=0.0578) USER MOD Set 6.2: A 97 TYR OH : rot -162:sc= 0.646 USER MOD Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.166) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -150:sc=-0.00442 USER MOD Single : A 6 GLN :FLIP amide:sc= -0.233 F(o=-1.1,f=-0.23) USER MOD Single : A 12 SER OG : rot 34:sc= -0.769 USER MOD Single : A 13 HIS : no HD1:sc= -0.58 K(o=-0.58,f=-1.9!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= 0.163 (180deg=0.124) USER MOD Single : A 23 THR OG1 : rot 180:sc=-0.00386 USER MOD Single : A 25 THR OG1 : rot 77:sc= 1.37 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0403 USER MOD Single : A 33 TYR OH : rot 180:sc= 0.28 USER MOD Single : A 36 SER OG : rot 27:sc= 0.277 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -57:sc= 0.472 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 48 HIS : no HD1:sc=-0.00194 X(o=-0.0019,f=-0.11) USER MOD Single : A 50 LYS NZ :NH3+ -136:sc= 0.0641 (180deg=-0.06) USER MOD Single : A 54 GLN : amide:sc= -0.0413 X(o=-0.041,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 148:sc= 0.893 (180deg=-0.0636) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0.184 (180deg=0.169) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.125 F(o=-0.66,f=-0.12) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 76 SER OG : rot -66:sc= -0.629 USER MOD Single : A 79 LYS NZ :NH3+ -171:sc= -0.0107 (180deg=-0.148) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -146:sc= -1.4 (180deg=-2.91!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -152:sc= -0.0205 (180deg=-0.302) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -141:sc= 0.509 (180deg=0.169) USER MOD Single : A 111 LYS NZ :NH3+ -173:sc= -0.0127 (180deg=-0.096) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.667 15.350 -1.658 1.00 54.23 N ATOM 2 CA MET A 1 -3.822 15.411 -3.140 1.00 13.35 C ATOM 3 C MET A 1 -5.299 15.215 -3.552 1.00 14.23 C ATOM 4 O MET A 1 -6.081 14.599 -2.821 1.00 23.23 O ATOM 5 CB MET A 1 -2.937 14.336 -3.830 1.00 45.30 C ATOM 6 CG MET A 1 -1.466 14.388 -3.422 1.00 13.34 C ATOM 7 SD MET A 1 -0.756 16.028 -3.659 1.00 75.31 S ATOM 8 CE MET A 1 0.864 15.812 -2.928 1.00 54.51 C ATOM 0 H1 MET A 1 -2.679 15.552 -1.404 1.00 54.23 H new ATOM 0 H2 MET A 1 -4.290 16.055 -1.215 1.00 54.23 H new ATOM 0 H3 MET A 1 -3.924 14.400 -1.321 1.00 54.23 H new ATOM 0 HA MET A 1 -3.498 16.399 -3.466 1.00 13.35 H new ATOM 0 HB2 MET A 1 -3.334 13.348 -3.596 1.00 45.30 H new ATOM 0 HB3 MET A 1 -3.008 14.460 -4.911 1.00 45.30 H new ATOM 0 HG2 MET A 1 -1.370 14.099 -2.375 1.00 13.34 H new ATOM 0 HG3 MET A 1 -0.902 13.661 -4.006 1.00 13.34 H new ATOM 0 HE1 MET A 1 1.348 16.783 -2.821 1.00 54.51 H new ATOM 0 HE2 MET A 1 0.762 15.348 -1.947 1.00 54.51 H new ATOM 0 HE3 MET A 1 1.471 15.173 -3.570 1.00 54.51 H new ATOM 20 N LYS A 2 -5.663 15.738 -4.734 1.00 21.34 N ATOM 21 CA LYS A 2 -7.014 15.571 -5.324 1.00 45.31 C ATOM 22 C LYS A 2 -6.956 14.562 -6.498 1.00 43.44 C ATOM 23 O LYS A 2 -5.884 14.318 -7.059 1.00 22.11 O ATOM 24 CB LYS A 2 -7.533 16.954 -5.819 1.00 44.14 C ATOM 25 CG LYS A 2 -8.969 16.953 -6.405 1.00 64.52 C ATOM 26 CD LYS A 2 -9.391 18.319 -6.992 1.00 55.11 C ATOM 27 CE LYS A 2 -8.517 18.756 -8.185 1.00 51.34 C ATOM 28 NZ LYS A 2 -8.955 20.061 -8.744 1.00 74.34 N ATOM 0 H LYS A 2 -5.032 16.291 -5.314 1.00 21.34 H new ATOM 0 HA LYS A 2 -7.698 15.183 -4.570 1.00 45.31 H new ATOM 0 HB2 LYS A 2 -7.499 17.656 -4.986 1.00 44.14 H new ATOM 0 HB3 LYS A 2 -6.848 17.329 -6.580 1.00 44.14 H new ATOM 0 HG2 LYS A 2 -9.035 16.194 -7.185 1.00 64.52 H new ATOM 0 HG3 LYS A 2 -9.673 16.668 -5.623 1.00 64.52 H new ATOM 0 HD2 LYS A 2 -10.432 18.266 -7.311 1.00 55.11 H new ATOM 0 HD3 LYS A 2 -9.336 19.077 -6.211 1.00 55.11 H new ATOM 0 HE2 LYS A 2 -7.477 18.828 -7.866 1.00 51.34 H new ATOM 0 HE3 LYS A 2 -8.559 17.995 -8.964 1.00 51.34 H new ATOM 0 HZ1 LYS A 2 -8.342 20.319 -9.544 1.00 74.34 H new ATOM 0 HZ2 LYS A 2 -9.939 19.985 -9.072 1.00 74.34 H new ATOM 0 HZ3 LYS A 2 -8.891 20.793 -8.008 1.00 74.34 H new ATOM 42 N VAL A 3 -8.103 13.952 -6.847 1.00 60.42 N ATOM 43 CA VAL A 3 -8.220 13.134 -8.070 1.00 4.33 C ATOM 44 C VAL A 3 -8.083 14.038 -9.336 1.00 35.32 C ATOM 45 O VAL A 3 -8.833 15.005 -9.517 1.00 14.33 O ATOM 46 CB VAL A 3 -9.572 12.332 -8.101 1.00 32.33 C ATOM 47 CG1 VAL A 3 -9.670 11.437 -9.364 1.00 70.14 C ATOM 48 CG2 VAL A 3 -9.753 11.491 -6.805 1.00 5.31 C ATOM 0 H VAL A 3 -8.962 14.009 -6.300 1.00 60.42 H new ATOM 0 HA VAL A 3 -7.409 12.405 -8.068 1.00 4.33 H new ATOM 0 HB VAL A 3 -10.384 13.057 -8.147 1.00 32.33 H new ATOM 0 HG11 VAL A 3 -10.616 10.896 -9.354 1.00 70.14 H new ATOM 0 HG12 VAL A 3 -9.617 12.060 -10.257 1.00 70.14 H new ATOM 0 HG13 VAL A 3 -8.845 10.724 -9.370 1.00 70.14 H new ATOM 0 HG21 VAL A 3 -10.696 10.947 -6.853 1.00 5.31 H new ATOM 0 HG22 VAL A 3 -8.930 10.783 -6.713 1.00 5.31 H new ATOM 0 HG23 VAL A 3 -9.760 12.153 -5.939 1.00 5.31 H new ATOM 58 N GLY A 4 -7.103 13.696 -10.180 1.00 12.43 N ATOM 59 CA GLY A 4 -6.731 14.483 -11.367 1.00 72.32 C ATOM 60 C GLY A 4 -5.440 15.293 -11.169 1.00 31.34 C ATOM 61 O GLY A 4 -4.951 15.918 -12.114 1.00 63.24 O ATOM 0 H GLY A 4 -6.538 12.856 -10.059 1.00 12.43 H new ATOM 0 HA2 GLY A 4 -6.606 13.812 -12.217 1.00 72.32 H new ATOM 0 HA3 GLY A 4 -7.546 15.163 -11.615 1.00 72.32 H new ATOM 65 N SER A 5 -4.900 15.294 -9.928 1.00 3.54 N ATOM 66 CA SER A 5 -3.628 15.985 -9.600 1.00 14.12 C ATOM 67 C SER A 5 -2.405 15.205 -10.131 1.00 1.35 C ATOM 68 O SER A 5 -2.246 14.015 -9.854 1.00 21.05 O ATOM 69 CB SER A 5 -3.480 16.187 -8.067 1.00 24.14 C ATOM 70 OG SER A 5 -4.513 17.013 -7.541 1.00 0.11 O ATOM 0 H SER A 5 -5.328 14.821 -9.132 1.00 3.54 H new ATOM 0 HA SER A 5 -3.663 16.959 -10.089 1.00 14.12 H new ATOM 0 HB2 SER A 5 -3.501 15.218 -7.569 1.00 24.14 H new ATOM 0 HB3 SER A 5 -2.510 16.636 -7.851 1.00 24.14 H new ATOM 0 HG SER A 5 -4.176 17.502 -6.761 1.00 0.11 H new ATOM 76 N GLN A 6 -1.534 15.905 -10.872 1.00 72.14 N ATOM 77 CA GLN A 6 -0.259 15.346 -11.364 1.00 20.22 C ATOM 78 C GLN A 6 0.802 15.519 -10.261 1.00 55.01 C ATOM 79 O GLN A 6 1.097 16.642 -9.859 1.00 31.43 O ATOM 80 CB GLN A 6 0.209 16.037 -12.685 1.00 34.42 C ATOM 81 CG GLN A 6 -0.671 15.751 -13.930 1.00 3.43 C ATOM 82 CD GLN A 6 -2.088 16.352 -13.886 1.00 44.43 C ATOM 83 OE1 GLN A 6 -2.251 17.531 -13.294 1.00 41.31 O flip ATOM 84 NE2 GLN A 6 -3.030 15.772 -14.410 1.00 31.43 N flip ATOM 0 H GLN A 6 -1.690 16.874 -11.149 1.00 72.14 H new ATOM 0 HA GLN A 6 -0.400 14.290 -11.595 1.00 20.22 H new ATOM 0 HB2 GLN A 6 0.239 17.114 -12.521 1.00 34.42 H new ATOM 0 HB3 GLN A 6 1.229 15.719 -12.901 1.00 34.42 H new ATOM 0 HG2 GLN A 6 -0.159 16.134 -14.812 1.00 3.43 H new ATOM 0 HG3 GLN A 6 -0.756 14.671 -14.054 1.00 3.43 H new ATOM 0 HE21 GLN A 6 -2.886 14.868 -14.860 1.00 31.43 H new ATOM 0 HE22 GLN A 6 -3.959 16.193 -14.397 1.00 31.43 H new ATOM 93 N VAL A 7 1.337 14.398 -9.752 1.00 64.43 N ATOM 94 CA VAL A 7 2.278 14.393 -8.608 1.00 23.01 C ATOM 95 C VAL A 7 3.597 13.662 -8.953 1.00 42.31 C ATOM 96 O VAL A 7 3.623 12.764 -9.783 1.00 21.34 O ATOM 97 CB VAL A 7 1.617 13.718 -7.336 1.00 40.41 C ATOM 98 CG1 VAL A 7 0.395 14.535 -6.836 1.00 71.53 C ATOM 99 CG2 VAL A 7 1.219 12.237 -7.616 1.00 22.15 C ATOM 0 H VAL A 7 1.133 13.468 -10.118 1.00 64.43 H new ATOM 0 HA VAL A 7 2.510 15.434 -8.384 1.00 23.01 H new ATOM 0 HB VAL A 7 2.366 13.715 -6.544 1.00 40.41 H new ATOM 0 HG11 VAL A 7 -0.037 14.046 -5.962 1.00 71.53 H new ATOM 0 HG12 VAL A 7 0.716 15.542 -6.567 1.00 71.53 H new ATOM 0 HG13 VAL A 7 -0.353 14.591 -7.627 1.00 71.53 H new ATOM 0 HG21 VAL A 7 0.769 11.806 -6.722 1.00 22.15 H new ATOM 0 HG22 VAL A 7 0.502 12.202 -8.436 1.00 22.15 H new ATOM 0 HG23 VAL A 7 2.108 11.666 -7.886 1.00 22.15 H new ATOM 109 N ILE A 8 4.687 14.083 -8.306 1.00 24.23 N ATOM 110 CA ILE A 8 5.981 13.377 -8.309 1.00 4.44 C ATOM 111 C ILE A 8 6.090 12.552 -7.006 1.00 40.52 C ATOM 112 O ILE A 8 5.899 13.093 -5.909 1.00 70.22 O ATOM 113 CB ILE A 8 7.194 14.385 -8.407 1.00 64.43 C ATOM 114 CG1 ILE A 8 6.982 15.422 -9.568 1.00 64.23 C ATOM 115 CG2 ILE A 8 8.543 13.626 -8.571 1.00 32.53 C ATOM 116 CD1 ILE A 8 6.841 14.827 -10.960 1.00 1.03 C ATOM 0 H ILE A 8 4.700 14.940 -7.753 1.00 24.23 H new ATOM 0 HA ILE A 8 6.025 12.726 -9.182 1.00 4.44 H new ATOM 0 HB ILE A 8 7.237 14.942 -7.471 1.00 64.43 H new ATOM 0 HG12 ILE A 8 6.089 16.007 -9.350 1.00 64.23 H new ATOM 0 HG13 ILE A 8 7.824 16.114 -9.571 1.00 64.23 H new ATOM 0 HG21 ILE A 8 9.360 14.345 -8.636 1.00 32.53 H new ATOM 0 HG22 ILE A 8 8.701 12.974 -7.712 1.00 32.53 H new ATOM 0 HG23 ILE A 8 8.515 13.026 -9.481 1.00 32.53 H new ATOM 0 HD11 ILE A 8 6.699 15.628 -11.685 1.00 1.03 H new ATOM 0 HD12 ILE A 8 7.742 14.267 -11.209 1.00 1.03 H new ATOM 0 HD13 ILE A 8 5.980 14.159 -10.985 1.00 1.03 H new ATOM 128 N ILE A 9 6.405 11.257 -7.127 1.00 73.44 N ATOM 129 CA ILE A 9 6.400 10.324 -5.981 1.00 44.33 C ATOM 130 C ILE A 9 7.805 10.277 -5.335 1.00 74.13 C ATOM 131 O ILE A 9 8.775 9.839 -5.965 1.00 31.14 O ATOM 132 CB ILE A 9 5.938 8.889 -6.420 1.00 11.54 C ATOM 133 CG1 ILE A 9 4.617 8.980 -7.260 1.00 20.23 C ATOM 134 CG2 ILE A 9 5.755 7.970 -5.182 1.00 41.24 C ATOM 135 CD1 ILE A 9 4.051 7.651 -7.730 1.00 40.00 C ATOM 0 H ILE A 9 6.669 10.824 -8.012 1.00 73.44 H new ATOM 0 HA ILE A 9 5.685 10.687 -5.243 1.00 44.33 H new ATOM 0 HB ILE A 9 6.711 8.448 -7.049 1.00 11.54 H new ATOM 0 HG12 ILE A 9 3.860 9.487 -6.661 1.00 20.23 H new ATOM 0 HG13 ILE A 9 4.804 9.605 -8.133 1.00 20.23 H new ATOM 0 HG21 ILE A 9 5.435 6.980 -5.508 1.00 41.24 H new ATOM 0 HG22 ILE A 9 6.701 7.887 -4.647 1.00 41.24 H new ATOM 0 HG23 ILE A 9 5.001 8.396 -4.521 1.00 41.24 H new ATOM 0 HD11 ILE A 9 3.139 7.825 -8.301 1.00 40.00 H new ATOM 0 HD12 ILE A 9 4.783 7.146 -8.361 1.00 40.00 H new ATOM 0 HD13 ILE A 9 3.824 7.026 -6.866 1.00 40.00 H new ATOM 147 N ASN A 10 7.901 10.725 -4.067 1.00 32.23 N ATOM 148 CA ASN A 10 9.198 10.919 -3.373 1.00 33.25 C ATOM 149 C ASN A 10 9.616 9.675 -2.549 1.00 24.35 C ATOM 150 O ASN A 10 10.806 9.483 -2.276 1.00 34.05 O ATOM 151 CB ASN A 10 9.153 12.188 -2.477 1.00 72.31 C ATOM 152 CG ASN A 10 8.076 12.148 -1.383 1.00 31.23 C ATOM 153 OD1 ASN A 10 8.315 11.669 -0.276 1.00 50.04 O ATOM 154 ND2 ASN A 10 6.898 12.670 -1.671 1.00 70.34 N ATOM 0 H ASN A 10 7.090 10.962 -3.495 1.00 32.23 H new ATOM 0 HA ASN A 10 9.958 11.059 -4.142 1.00 33.25 H new ATOM 0 HB2 ASN A 10 10.127 12.322 -2.007 1.00 72.31 H new ATOM 0 HB3 ASN A 10 8.981 13.059 -3.109 1.00 72.31 H new ATOM 0 HD21 ASN A 10 6.160 12.682 -0.967 1.00 70.34 H new ATOM 0 HD22 ASN A 10 6.726 13.061 -2.597 1.00 70.34 H new ATOM 161 N THR A 11 8.629 8.851 -2.142 1.00 42.12 N ATOM 162 CA THR A 11 8.874 7.576 -1.414 1.00 62.13 C ATOM 163 C THR A 11 8.520 6.381 -2.328 1.00 51.30 C ATOM 164 O THR A 11 7.537 6.433 -3.067 1.00 2.31 O ATOM 165 CB THR A 11 8.025 7.484 -0.096 1.00 2.05 C ATOM 166 OG1 THR A 11 8.161 8.688 0.673 1.00 54.22 O ATOM 167 CG2 THR A 11 8.443 6.290 0.779 1.00 10.13 C ATOM 0 H THR A 11 7.641 9.044 -2.305 1.00 42.12 H new ATOM 0 HA THR A 11 9.929 7.548 -1.142 1.00 62.13 H new ATOM 0 HB THR A 11 6.987 7.345 -0.400 1.00 2.05 H new ATOM 0 HG1 THR A 11 7.625 8.616 1.490 1.00 54.22 H new ATOM 0 HG21 THR A 11 7.829 6.266 1.679 1.00 10.13 H new ATOM 0 HG22 THR A 11 8.305 5.364 0.221 1.00 10.13 H new ATOM 0 HG23 THR A 11 9.492 6.393 1.058 1.00 10.13 H new ATOM 175 N SER A 12 9.302 5.288 -2.253 1.00 2.12 N ATOM 176 CA SER A 12 9.161 4.138 -3.177 1.00 43.42 C ATOM 177 C SER A 12 8.922 2.802 -2.439 1.00 50.51 C ATOM 178 O SER A 12 9.733 2.368 -1.611 1.00 14.34 O ATOM 179 CB SER A 12 10.408 4.021 -4.072 1.00 5.34 C ATOM 180 OG SER A 12 11.589 3.850 -3.307 1.00 64.22 O ATOM 0 H SER A 12 10.042 5.173 -1.560 1.00 2.12 H new ATOM 0 HA SER A 12 8.279 4.332 -3.788 1.00 43.42 H new ATOM 0 HB2 SER A 12 10.290 3.177 -4.752 1.00 5.34 H new ATOM 0 HB3 SER A 12 10.499 4.916 -4.687 1.00 5.34 H new ATOM 0 HG SER A 12 11.387 3.320 -2.508 1.00 64.22 H new ATOM 186 N HIS A 13 7.777 2.182 -2.748 1.00 14.35 N ATOM 187 CA HIS A 13 7.485 0.770 -2.430 1.00 63.14 C ATOM 188 C HIS A 13 8.074 -0.118 -3.552 1.00 51.34 C ATOM 189 O HIS A 13 8.646 -1.176 -3.298 1.00 35.23 O ATOM 190 CB HIS A 13 5.950 0.553 -2.301 1.00 21.34 C ATOM 191 CG HIS A 13 5.262 1.411 -1.262 1.00 53.11 C ATOM 192 ND1 HIS A 13 3.959 1.188 -0.927 1.00 25.11 N ATOM 193 CD2 HIS A 13 5.712 2.484 -0.552 1.00 21.32 C ATOM 194 CE1 HIS A 13 3.647 2.107 -0.040 1.00 21.13 C ATOM 195 NE2 HIS A 13 4.672 2.911 0.220 1.00 73.23 N ATOM 0 H HIS A 13 7.012 2.650 -3.234 1.00 14.35 H new ATOM 0 HA HIS A 13 7.939 0.500 -1.477 1.00 63.14 H new ATOM 0 HB2 HIS A 13 5.490 0.745 -3.270 1.00 21.34 H new ATOM 0 HB3 HIS A 13 5.766 -0.495 -2.063 1.00 21.34 H new ATOM 0 HD2 HIS A 13 6.702 2.914 -0.593 1.00 21.32 H new ATOM 0 HE1 HIS A 13 2.675 2.197 0.422 1.00 21.13 H new ATOM 0 HE2 HIS A 13 4.680 3.696 0.871 1.00 73.23 H new ATOM 203 N MET A 14 7.898 0.349 -4.805 1.00 3.33 N ATOM 204 CA MET A 14 8.596 -0.187 -5.995 1.00 64.31 C ATOM 205 C MET A 14 9.771 0.758 -6.349 1.00 64.32 C ATOM 206 O MET A 14 9.601 1.976 -6.327 1.00 21.45 O ATOM 207 CB MET A 14 7.614 -0.297 -7.193 1.00 35.02 C ATOM 208 CG MET A 14 6.381 -1.170 -6.923 1.00 61.34 C ATOM 209 SD MET A 14 6.803 -2.861 -6.444 1.00 73.32 S ATOM 210 CE MET A 14 5.177 -3.573 -6.160 1.00 44.15 C ATOM 0 H MET A 14 7.262 1.116 -5.023 1.00 3.33 H new ATOM 0 HA MET A 14 8.978 -1.185 -5.778 1.00 64.31 H new ATOM 0 HB2 MET A 14 7.282 0.704 -7.468 1.00 35.02 H new ATOM 0 HB3 MET A 14 8.150 -0.702 -8.051 1.00 35.02 H new ATOM 0 HG2 MET A 14 5.785 -0.713 -6.133 1.00 61.34 H new ATOM 0 HG3 MET A 14 5.759 -1.196 -7.817 1.00 61.34 H new ATOM 0 HE1 MET A 14 5.284 -4.615 -5.858 1.00 44.15 H new ATOM 0 HE2 MET A 14 4.669 -3.017 -5.372 1.00 44.15 H new ATOM 0 HE3 MET A 14 4.591 -3.520 -7.078 1.00 44.15 H new ATOM 220 N LYS A 15 10.943 0.191 -6.686 1.00 22.22 N ATOM 221 CA LYS A 15 12.187 0.965 -6.966 1.00 2.35 C ATOM 222 C LYS A 15 12.041 1.949 -8.162 1.00 51.14 C ATOM 223 O LYS A 15 12.657 3.020 -8.170 1.00 11.04 O ATOM 224 CB LYS A 15 13.371 -0.009 -7.201 1.00 71.31 C ATOM 225 CG LYS A 15 13.123 -1.083 -8.290 1.00 71.23 C ATOM 226 CD LYS A 15 14.340 -2.009 -8.510 1.00 31.44 C ATOM 227 CE LYS A 15 14.764 -2.764 -7.231 1.00 74.22 C ATOM 228 NZ LYS A 15 15.925 -3.654 -7.467 1.00 3.35 N ATOM 0 H LYS A 15 11.065 -0.818 -6.775 1.00 22.22 H new ATOM 0 HA LYS A 15 12.384 1.581 -6.089 1.00 2.35 H new ATOM 0 HB2 LYS A 15 14.251 0.572 -7.477 1.00 71.31 H new ATOM 0 HB3 LYS A 15 13.602 -0.511 -6.261 1.00 71.31 H new ATOM 0 HG2 LYS A 15 12.260 -1.686 -8.008 1.00 71.23 H new ATOM 0 HG3 LYS A 15 12.874 -0.590 -9.229 1.00 71.23 H new ATOM 0 HD2 LYS A 15 14.103 -2.732 -9.290 1.00 31.44 H new ATOM 0 HD3 LYS A 15 15.180 -1.416 -8.870 1.00 31.44 H new ATOM 0 HE2 LYS A 15 15.013 -2.044 -6.451 1.00 74.22 H new ATOM 0 HE3 LYS A 15 13.924 -3.354 -6.864 1.00 74.22 H new ATOM 0 HZ1 LYS A 15 16.175 -4.140 -6.582 1.00 3.35 H new ATOM 0 HZ2 LYS A 15 15.681 -4.358 -8.192 1.00 3.35 H new ATOM 0 HZ3 LYS A 15 16.735 -3.089 -7.792 1.00 3.35 H new ATOM 242 N GLY A 16 11.199 1.585 -9.150 1.00 25.35 N ATOM 243 CA GLY A 16 10.918 2.453 -10.311 1.00 71.32 C ATOM 244 C GLY A 16 9.937 3.590 -10.017 1.00 4.42 C ATOM 245 O GLY A 16 9.621 4.387 -10.899 1.00 74.30 O ATOM 0 H GLY A 16 10.701 0.695 -9.167 1.00 25.35 H new ATOM 0 HA2 GLY A 16 11.856 2.879 -10.668 1.00 71.32 H new ATOM 0 HA3 GLY A 16 10.518 1.842 -11.120 1.00 71.32 H new ATOM 249 N MET A 17 9.465 3.675 -8.767 1.00 63.20 N ATOM 250 CA MET A 17 8.497 4.700 -8.342 1.00 0.11 C ATOM 251 C MET A 17 9.215 5.876 -7.622 1.00 32.23 C ATOM 252 O MET A 17 8.637 6.956 -7.446 1.00 14.34 O ATOM 253 CB MET A 17 7.409 4.041 -7.452 1.00 33.52 C ATOM 254 CG MET A 17 6.171 4.909 -7.237 1.00 52.33 C ATOM 255 SD MET A 17 4.802 4.042 -6.449 1.00 30.31 S ATOM 256 CE MET A 17 5.497 3.607 -4.863 1.00 13.44 C ATOM 0 H MET A 17 9.742 3.037 -8.021 1.00 63.20 H new ATOM 0 HA MET A 17 8.007 5.126 -9.217 1.00 0.11 H new ATOM 0 HB2 MET A 17 7.104 3.098 -7.907 1.00 33.52 H new ATOM 0 HB3 MET A 17 7.844 3.801 -6.482 1.00 33.52 H new ATOM 0 HG2 MET A 17 6.444 5.769 -6.626 1.00 52.33 H new ATOM 0 HG3 MET A 17 5.838 5.295 -8.200 1.00 52.33 H new ATOM 0 HE1 MET A 17 4.749 3.082 -4.269 1.00 13.44 H new ATOM 0 HE2 MET A 17 6.362 2.961 -5.010 1.00 13.44 H new ATOM 0 HE3 MET A 17 5.805 4.512 -4.340 1.00 13.44 H new ATOM 266 N LYS A 18 10.486 5.656 -7.211 1.00 75.55 N ATOM 267 CA LYS A 18 11.341 6.712 -6.618 1.00 22.53 C ATOM 268 C LYS A 18 11.654 7.801 -7.674 1.00 73.21 C ATOM 269 O LYS A 18 12.285 7.509 -8.699 1.00 11.40 O ATOM 270 CB LYS A 18 12.669 6.082 -6.087 1.00 35.14 C ATOM 271 CG LYS A 18 13.411 6.907 -5.006 1.00 4.21 C ATOM 272 CD LYS A 18 12.609 6.987 -3.677 1.00 1.32 C ATOM 273 CE LYS A 18 13.418 7.568 -2.507 1.00 71.44 C ATOM 274 NZ LYS A 18 13.796 8.986 -2.728 1.00 53.20 N ATOM 0 H LYS A 18 10.945 4.748 -7.280 1.00 75.55 H new ATOM 0 HA LYS A 18 10.809 7.174 -5.787 1.00 22.53 H new ATOM 0 HB2 LYS A 18 12.446 5.097 -5.678 1.00 35.14 H new ATOM 0 HB3 LYS A 18 13.343 5.932 -6.931 1.00 35.14 H new ATOM 0 HG2 LYS A 18 14.386 6.458 -4.814 1.00 4.21 H new ATOM 0 HG3 LYS A 18 13.592 7.914 -5.381 1.00 4.21 H new ATOM 0 HD2 LYS A 18 11.721 7.599 -3.834 1.00 1.32 H new ATOM 0 HD3 LYS A 18 12.264 5.988 -3.409 1.00 1.32 H new ATOM 0 HE2 LYS A 18 12.833 7.490 -1.590 1.00 71.44 H new ATOM 0 HE3 LYS A 18 14.320 6.973 -2.362 1.00 71.44 H new ATOM 0 HZ1 LYS A 18 14.477 9.281 -2.000 1.00 53.20 H new ATOM 0 HZ2 LYS A 18 14.229 9.087 -3.668 1.00 53.20 H new ATOM 0 HZ3 LYS A 18 12.947 9.584 -2.671 1.00 53.20 H new ATOM 288 N GLY A 19 11.194 9.042 -7.416 1.00 4.23 N ATOM 289 CA GLY A 19 11.397 10.167 -8.348 1.00 54.34 C ATOM 290 C GLY A 19 10.483 10.137 -9.590 1.00 44.33 C ATOM 291 O GLY A 19 10.601 11.006 -10.462 1.00 43.45 O ATOM 0 H GLY A 19 10.680 9.289 -6.570 1.00 4.23 H new ATOM 0 HA2 GLY A 19 11.231 11.102 -7.812 1.00 54.34 H new ATOM 0 HA3 GLY A 19 12.436 10.168 -8.676 1.00 54.34 H new ATOM 295 N ALA A 20 9.575 9.141 -9.674 1.00 30.25 N ATOM 296 CA ALA A 20 8.720 8.923 -10.867 1.00 65.41 C ATOM 297 C ALA A 20 7.582 9.964 -10.986 1.00 12.52 C ATOM 298 O ALA A 20 7.034 10.430 -9.981 1.00 41.03 O ATOM 299 CB ALA A 20 8.131 7.506 -10.847 1.00 3.12 C ATOM 0 H ALA A 20 9.413 8.469 -8.924 1.00 30.25 H new ATOM 0 HA ALA A 20 9.361 9.045 -11.740 1.00 65.41 H new ATOM 0 HB1 ALA A 20 7.506 7.359 -11.728 1.00 3.12 H new ATOM 0 HB2 ALA A 20 8.940 6.776 -10.851 1.00 3.12 H new ATOM 0 HB3 ALA A 20 7.528 7.375 -9.948 1.00 3.12 H new ATOM 305 N GLU A 21 7.239 10.307 -12.240 1.00 44.33 N ATOM 306 CA GLU A 21 6.131 11.230 -12.563 1.00 50.02 C ATOM 307 C GLU A 21 4.797 10.462 -12.617 1.00 51.14 C ATOM 308 O GLU A 21 4.708 9.428 -13.292 1.00 24.51 O ATOM 309 CB GLU A 21 6.406 11.920 -13.920 1.00 72.33 C ATOM 310 CG GLU A 21 7.735 12.699 -13.965 1.00 63.21 C ATOM 311 CD GLU A 21 7.949 13.445 -15.285 1.00 13.42 C ATOM 312 OE1 GLU A 21 7.233 14.438 -15.527 1.00 3.15 O ATOM 313 OE2 GLU A 21 8.817 13.043 -16.090 1.00 53.31 O ATOM 0 H GLU A 21 7.724 9.951 -13.064 1.00 44.33 H new ATOM 0 HA GLU A 21 6.062 11.990 -11.785 1.00 50.02 H new ATOM 0 HB2 GLU A 21 6.412 11.165 -14.706 1.00 72.33 H new ATOM 0 HB3 GLU A 21 5.587 12.604 -14.141 1.00 72.33 H new ATOM 0 HG2 GLU A 21 7.758 13.414 -13.143 1.00 63.21 H new ATOM 0 HG3 GLU A 21 8.561 12.006 -13.808 1.00 63.21 H new ATOM 320 N ALA A 22 3.766 10.986 -11.933 1.00 20.10 N ATOM 321 CA ALA A 22 2.484 10.274 -11.725 1.00 53.42 C ATOM 322 C ALA A 22 1.252 11.198 -11.809 1.00 65.44 C ATOM 323 O ALA A 22 1.369 12.421 -11.906 1.00 71.11 O ATOM 324 CB ALA A 22 2.505 9.555 -10.364 1.00 74.14 C ATOM 0 H ALA A 22 3.793 11.913 -11.508 1.00 20.10 H new ATOM 0 HA ALA A 22 2.389 9.553 -12.537 1.00 53.42 H new ATOM 0 HB1 ALA A 22 1.560 9.032 -10.214 1.00 74.14 H new ATOM 0 HB2 ALA A 22 3.324 8.837 -10.345 1.00 74.14 H new ATOM 0 HB3 ALA A 22 2.645 10.287 -9.568 1.00 74.14 H new ATOM 330 N THR A 23 0.062 10.570 -11.792 1.00 52.15 N ATOM 331 CA THR A 23 -1.242 11.267 -11.691 1.00 74.23 C ATOM 332 C THR A 23 -2.195 10.466 -10.770 1.00 43.41 C ATOM 333 O THR A 23 -2.271 9.243 -10.869 1.00 62.51 O ATOM 334 CB THR A 23 -1.910 11.458 -13.100 1.00 30.11 C ATOM 335 OG1 THR A 23 -0.998 12.127 -13.991 1.00 63.52 O ATOM 336 CG2 THR A 23 -3.221 12.270 -13.030 1.00 2.50 C ATOM 0 H THR A 23 -0.027 9.555 -11.848 1.00 52.15 H new ATOM 0 HA THR A 23 -1.059 12.255 -11.269 1.00 74.23 H new ATOM 0 HB THR A 23 -2.150 10.462 -13.471 1.00 30.11 H new ATOM 0 HG1 THR A 23 -1.421 12.241 -14.867 1.00 63.52 H new ATOM 0 HG21 THR A 23 -3.640 12.372 -14.031 1.00 2.50 H new ATOM 0 HG22 THR A 23 -3.935 11.753 -12.389 1.00 2.50 H new ATOM 0 HG23 THR A 23 -3.015 13.259 -12.621 1.00 2.50 H new ATOM 344 N VAL A 24 -2.938 11.175 -9.904 1.00 3.15 N ATOM 345 CA VAL A 24 -3.852 10.556 -8.919 1.00 51.41 C ATOM 346 C VAL A 24 -5.197 10.197 -9.598 1.00 73.22 C ATOM 347 O VAL A 24 -5.936 11.073 -10.029 1.00 41.05 O ATOM 348 CB VAL A 24 -4.095 11.514 -7.693 1.00 41.43 C ATOM 349 CG1 VAL A 24 -5.076 10.892 -6.660 1.00 42.43 C ATOM 350 CG2 VAL A 24 -2.750 11.905 -7.022 1.00 53.53 C ATOM 0 H VAL A 24 -2.925 12.194 -9.864 1.00 3.15 H new ATOM 0 HA VAL A 24 -3.387 9.644 -8.545 1.00 51.41 H new ATOM 0 HB VAL A 24 -4.562 12.422 -8.075 1.00 41.43 H new ATOM 0 HG11 VAL A 24 -5.217 11.584 -5.830 1.00 42.43 H new ATOM 0 HG12 VAL A 24 -6.036 10.700 -7.140 1.00 42.43 H new ATOM 0 HG13 VAL A 24 -4.664 9.955 -6.285 1.00 42.43 H new ATOM 0 HG21 VAL A 24 -2.943 12.567 -6.178 1.00 53.53 H new ATOM 0 HG22 VAL A 24 -2.244 11.006 -6.670 1.00 53.53 H new ATOM 0 HG23 VAL A 24 -2.117 12.417 -7.747 1.00 53.53 H new ATOM 360 N THR A 25 -5.486 8.896 -9.717 1.00 51.43 N ATOM 361 CA THR A 25 -6.744 8.383 -10.308 1.00 33.34 C ATOM 362 C THR A 25 -7.778 7.974 -9.227 1.00 3.34 C ATOM 363 O THR A 25 -8.911 7.607 -9.563 1.00 63.40 O ATOM 364 CB THR A 25 -6.447 7.164 -11.239 1.00 13.13 C ATOM 365 OG1 THR A 25 -5.743 6.150 -10.512 1.00 20.13 O ATOM 366 CG2 THR A 25 -5.613 7.566 -12.461 1.00 53.44 C ATOM 0 H THR A 25 -4.854 8.158 -9.406 1.00 51.43 H new ATOM 0 HA THR A 25 -7.178 9.196 -10.891 1.00 33.34 H new ATOM 0 HB THR A 25 -7.407 6.784 -11.587 1.00 13.13 H new ATOM 0 HG1 THR A 25 -6.371 5.663 -9.939 1.00 20.13 H new ATOM 0 HG21 THR A 25 -5.430 6.688 -13.081 1.00 53.44 H new ATOM 0 HG22 THR A 25 -6.154 8.314 -13.041 1.00 53.44 H new ATOM 0 HG23 THR A 25 -4.661 7.982 -12.131 1.00 53.44 H new ATOM 374 N GLY A 26 -7.387 8.030 -7.935 1.00 45.22 N ATOM 375 CA GLY A 26 -8.304 7.739 -6.816 1.00 4.34 C ATOM 376 C GLY A 26 -7.767 8.241 -5.469 1.00 55.31 C ATOM 377 O GLY A 26 -6.553 8.293 -5.269 1.00 12.10 O ATOM 0 H GLY A 26 -6.441 8.275 -7.643 1.00 45.22 H new ATOM 0 HA2 GLY A 26 -9.271 8.202 -7.013 1.00 4.34 H new ATOM 0 HA3 GLY A 26 -8.472 6.664 -6.758 1.00 4.34 H new ATOM 381 N ALA A 27 -8.675 8.614 -4.544 1.00 14.42 N ATOM 382 CA ALA A 27 -8.312 9.103 -3.187 1.00 3.22 C ATOM 383 C ALA A 27 -9.252 8.489 -2.121 1.00 75.00 C ATOM 384 O ALA A 27 -10.453 8.764 -2.120 1.00 22.14 O ATOM 385 CB ALA A 27 -8.363 10.643 -3.145 1.00 44.35 C ATOM 0 H ALA A 27 -9.681 8.587 -4.711 1.00 14.42 H new ATOM 0 HA ALA A 27 -7.293 8.788 -2.961 1.00 3.22 H new ATOM 0 HB1 ALA A 27 -8.095 10.989 -2.147 1.00 44.35 H new ATOM 0 HB2 ALA A 27 -7.659 11.050 -3.871 1.00 44.35 H new ATOM 0 HB3 ALA A 27 -9.371 10.980 -3.388 1.00 44.35 H new ATOM 391 N TYR A 28 -8.694 7.654 -1.226 1.00 32.34 N ATOM 392 CA TYR A 28 -9.468 6.872 -0.222 1.00 25.14 C ATOM 393 C TYR A 28 -9.124 7.316 1.221 1.00 53.23 C ATOM 394 O TYR A 28 -8.027 7.052 1.700 1.00 45.53 O ATOM 395 CB TYR A 28 -9.162 5.355 -0.388 1.00 22.21 C ATOM 396 CG TYR A 28 -9.672 4.722 -1.697 1.00 34.10 C ATOM 397 CD1 TYR A 28 -9.084 5.029 -2.932 1.00 52.25 C ATOM 398 CD2 TYR A 28 -10.728 3.803 -1.696 1.00 44.42 C ATOM 399 CE1 TYR A 28 -9.537 4.455 -4.106 1.00 74.22 C ATOM 400 CE2 TYR A 28 -11.180 3.228 -2.868 1.00 30.43 C ATOM 401 CZ TYR A 28 -10.582 3.554 -4.068 1.00 4.03 C ATOM 402 OH TYR A 28 -11.034 2.976 -5.236 1.00 62.12 O ATOM 0 H TYR A 28 -7.688 7.496 -1.172 1.00 32.34 H new ATOM 0 HA TYR A 28 -10.529 7.056 -0.393 1.00 25.14 H new ATOM 0 HB2 TYR A 28 -8.083 5.210 -0.329 1.00 22.21 H new ATOM 0 HB3 TYR A 28 -9.602 4.818 0.452 1.00 22.21 H new ATOM 0 HD1 TYR A 28 -8.261 5.727 -2.967 1.00 52.25 H new ATOM 0 HD2 TYR A 28 -11.199 3.538 -0.761 1.00 44.42 H new ATOM 0 HE1 TYR A 28 -9.075 4.711 -5.048 1.00 74.22 H new ATOM 0 HE2 TYR A 28 -12.000 2.525 -2.845 1.00 30.43 H new ATOM 0 HH TYR A 28 -11.773 2.365 -5.034 1.00 62.12 H new ATOM 412 N ASP A 29 -10.083 7.947 1.924 1.00 32.13 N ATOM 413 CA ASP A 29 -9.872 8.426 3.314 1.00 54.23 C ATOM 414 C ASP A 29 -10.290 7.317 4.325 1.00 31.42 C ATOM 415 O ASP A 29 -11.397 7.309 4.871 1.00 24.25 O ATOM 416 CB ASP A 29 -10.613 9.780 3.554 1.00 51.22 C ATOM 417 CG ASP A 29 -12.128 9.728 3.266 1.00 10.25 C ATOM 418 OD1 ASP A 29 -12.516 9.576 2.086 1.00 62.01 O ATOM 419 OD2 ASP A 29 -12.940 9.849 4.210 1.00 4.04 O ATOM 0 H ASP A 29 -11.015 8.140 1.556 1.00 32.13 H new ATOM 0 HA ASP A 29 -8.813 8.627 3.474 1.00 54.23 H new ATOM 0 HB2 ASP A 29 -10.461 10.087 4.589 1.00 51.22 H new ATOM 0 HB3 ASP A 29 -10.160 10.546 2.925 1.00 51.22 H new ATOM 424 N THR A 30 -9.386 6.344 4.529 1.00 63.21 N ATOM 425 CA THR A 30 -9.669 5.120 5.326 1.00 55.34 C ATOM 426 C THR A 30 -8.533 4.805 6.326 1.00 43.35 C ATOM 427 O THR A 30 -7.498 5.479 6.353 1.00 32.00 O ATOM 428 CB THR A 30 -9.910 3.889 4.372 1.00 54.52 C ATOM 429 OG1 THR A 30 -10.209 2.699 5.131 1.00 64.22 O ATOM 430 CG2 THR A 30 -8.702 3.622 3.449 1.00 41.41 C ATOM 0 H THR A 30 -8.439 6.376 4.151 1.00 63.21 H new ATOM 0 HA THR A 30 -10.573 5.310 5.905 1.00 55.34 H new ATOM 0 HB THR A 30 -10.765 4.143 3.746 1.00 54.52 H new ATOM 0 HG1 THR A 30 -10.356 1.949 4.518 1.00 64.22 H new ATOM 0 HG21 THR A 30 -8.915 2.765 2.810 1.00 41.41 H new ATOM 0 HG22 THR A 30 -8.517 4.499 2.829 1.00 41.41 H new ATOM 0 HG23 THR A 30 -7.820 3.413 4.055 1.00 41.41 H new ATOM 438 N THR A 31 -8.747 3.780 7.171 1.00 54.45 N ATOM 439 CA THR A 31 -7.718 3.279 8.097 1.00 51.21 C ATOM 440 C THR A 31 -6.771 2.303 7.354 1.00 64.23 C ATOM 441 O THR A 31 -7.200 1.254 6.849 1.00 25.21 O ATOM 442 CB THR A 31 -8.344 2.563 9.345 1.00 65.21 C ATOM 443 OG1 THR A 31 -9.335 3.415 9.948 1.00 1.12 O ATOM 444 CG2 THR A 31 -7.272 2.216 10.405 1.00 22.01 C ATOM 0 H THR A 31 -9.633 3.279 7.230 1.00 54.45 H new ATOM 0 HA THR A 31 -7.156 4.140 8.458 1.00 51.21 H new ATOM 0 HB THR A 31 -8.798 1.635 8.997 1.00 65.21 H new ATOM 0 HG1 THR A 31 -9.725 2.964 10.726 1.00 1.12 H new ATOM 0 HG21 THR A 31 -7.746 1.722 11.253 1.00 22.01 H new ATOM 0 HG22 THR A 31 -6.528 1.551 9.966 1.00 22.01 H new ATOM 0 HG23 THR A 31 -6.786 3.131 10.744 1.00 22.01 H new ATOM 452 N ALA A 32 -5.488 2.665 7.321 1.00 33.12 N ATOM 453 CA ALA A 32 -4.409 1.870 6.709 1.00 63.41 C ATOM 454 C ALA A 32 -3.554 1.226 7.824 1.00 22.33 C ATOM 455 O ALA A 32 -3.602 1.644 8.989 1.00 62.44 O ATOM 456 CB ALA A 32 -3.546 2.753 5.798 1.00 12.24 C ATOM 0 H ALA A 32 -5.156 3.540 7.728 1.00 33.12 H new ATOM 0 HA ALA A 32 -4.842 1.080 6.095 1.00 63.41 H new ATOM 0 HB1 ALA A 32 -2.753 2.152 5.353 1.00 12.24 H new ATOM 0 HB2 ALA A 32 -4.166 3.177 5.008 1.00 12.24 H new ATOM 0 HB3 ALA A 32 -3.104 3.559 6.384 1.00 12.24 H new ATOM 462 N TYR A 33 -2.772 0.205 7.463 1.00 70.13 N ATOM 463 CA TYR A 33 -2.011 -0.612 8.427 1.00 2.54 C ATOM 464 C TYR A 33 -0.601 -0.942 7.891 1.00 73.44 C ATOM 465 O TYR A 33 -0.377 -1.061 6.677 1.00 41.01 O ATOM 466 CB TYR A 33 -2.774 -1.934 8.754 1.00 14.13 C ATOM 467 CG TYR A 33 -4.166 -1.738 9.388 1.00 13.51 C ATOM 468 CD1 TYR A 33 -4.299 -1.418 10.743 1.00 1.15 C ATOM 469 CD2 TYR A 33 -5.342 -1.862 8.633 1.00 32.13 C ATOM 470 CE1 TYR A 33 -5.542 -1.236 11.317 1.00 54.32 C ATOM 471 CE2 TYR A 33 -6.588 -1.681 9.208 1.00 14.20 C ATOM 472 CZ TYR A 33 -6.684 -1.367 10.548 1.00 42.43 C ATOM 473 OH TYR A 33 -7.927 -1.181 11.129 1.00 12.25 O ATOM 0 H TYR A 33 -2.645 -0.083 6.493 1.00 70.13 H new ATOM 0 HA TYR A 33 -1.905 -0.027 9.341 1.00 2.54 H new ATOM 0 HB2 TYR A 33 -2.887 -2.509 7.835 1.00 14.13 H new ATOM 0 HB3 TYR A 33 -2.163 -2.532 9.431 1.00 14.13 H new ATOM 0 HD1 TYR A 33 -3.413 -1.311 11.352 1.00 1.15 H new ATOM 0 HD2 TYR A 33 -5.274 -2.103 7.583 1.00 32.13 H new ATOM 0 HE1 TYR A 33 -5.622 -0.991 12.366 1.00 54.32 H new ATOM 0 HE2 TYR A 33 -7.481 -1.785 8.610 1.00 14.20 H new ATOM 0 HH TYR A 33 -8.626 -1.307 10.454 1.00 12.25 H new ATOM 483 N VAL A 34 0.332 -1.072 8.832 1.00 64.32 N ATOM 484 CA VAL A 34 1.679 -1.613 8.605 1.00 33.25 C ATOM 485 C VAL A 34 1.667 -3.063 9.127 1.00 23.44 C ATOM 486 O VAL A 34 1.345 -3.271 10.293 1.00 71.40 O ATOM 487 CB VAL A 34 2.762 -0.769 9.383 1.00 14.53 C ATOM 488 CG1 VAL A 34 4.191 -1.298 9.112 1.00 51.00 C ATOM 489 CG2 VAL A 34 2.644 0.742 9.051 1.00 44.41 C ATOM 0 H VAL A 34 0.172 -0.798 9.801 1.00 64.32 H new ATOM 0 HA VAL A 34 1.935 -1.572 7.546 1.00 33.25 H new ATOM 0 HB VAL A 34 2.567 -0.887 10.449 1.00 14.53 H new ATOM 0 HG11 VAL A 34 4.913 -0.695 9.663 1.00 51.00 H new ATOM 0 HG12 VAL A 34 4.262 -2.336 9.437 1.00 51.00 H new ATOM 0 HG13 VAL A 34 4.406 -1.236 8.045 1.00 51.00 H new ATOM 0 HG21 VAL A 34 3.404 1.296 9.603 1.00 44.41 H new ATOM 0 HG22 VAL A 34 2.790 0.892 7.981 1.00 44.41 H new ATOM 0 HG23 VAL A 34 1.655 1.101 9.336 1.00 44.41 H new ATOM 499 N VAL A 35 1.963 -4.066 8.273 1.00 42.22 N ATOM 500 CA VAL A 35 1.871 -5.507 8.660 1.00 52.14 C ATOM 501 C VAL A 35 3.199 -6.271 8.437 1.00 21.23 C ATOM 502 O VAL A 35 3.996 -5.929 7.564 1.00 21.44 O ATOM 503 CB VAL A 35 0.705 -6.255 7.893 1.00 33.30 C ATOM 504 CG1 VAL A 35 -0.685 -5.758 8.362 1.00 62.41 C ATOM 505 CG2 VAL A 35 0.861 -6.121 6.349 1.00 11.52 C ATOM 0 H VAL A 35 2.268 -3.914 7.312 1.00 42.22 H new ATOM 0 HA VAL A 35 1.651 -5.505 9.728 1.00 52.14 H new ATOM 0 HB VAL A 35 0.778 -7.314 8.139 1.00 33.30 H new ATOM 0 HG11 VAL A 35 -1.465 -6.290 7.817 1.00 62.41 H new ATOM 0 HG12 VAL A 35 -0.797 -5.945 9.430 1.00 62.41 H new ATOM 0 HG13 VAL A 35 -0.773 -4.689 8.169 1.00 62.41 H new ATOM 0 HG21 VAL A 35 0.044 -6.646 5.854 1.00 11.52 H new ATOM 0 HG22 VAL A 35 0.837 -5.067 6.071 1.00 11.52 H new ATOM 0 HG23 VAL A 35 1.812 -6.556 6.040 1.00 11.52 H new ATOM 515 N SER A 36 3.412 -7.316 9.257 1.00 5.24 N ATOM 516 CA SER A 36 4.517 -8.287 9.096 1.00 25.31 C ATOM 517 C SER A 36 3.925 -9.698 8.893 1.00 22.14 C ATOM 518 O SER A 36 3.142 -10.163 9.726 1.00 74.44 O ATOM 519 CB SER A 36 5.441 -8.269 10.339 1.00 32.23 C ATOM 520 OG SER A 36 4.727 -8.592 11.525 1.00 63.01 O ATOM 0 H SER A 36 2.816 -7.515 10.061 1.00 5.24 H new ATOM 0 HA SER A 36 5.113 -8.012 8.226 1.00 25.31 H new ATOM 0 HB2 SER A 36 6.255 -8.980 10.198 1.00 32.23 H new ATOM 0 HB3 SER A 36 5.893 -7.283 10.443 1.00 32.23 H new ATOM 0 HG SER A 36 3.953 -9.149 11.299 1.00 63.01 H new ATOM 526 N TYR A 37 4.312 -10.381 7.804 1.00 1.43 N ATOM 527 CA TYR A 37 3.705 -11.676 7.413 1.00 35.23 C ATOM 528 C TYR A 37 4.715 -12.601 6.728 1.00 74.40 C ATOM 529 O TYR A 37 5.653 -12.138 6.076 1.00 52.11 O ATOM 530 CB TYR A 37 2.474 -11.460 6.483 1.00 42.24 C ATOM 531 CG TYR A 37 2.744 -10.667 5.191 1.00 60.10 C ATOM 532 CD1 TYR A 37 2.603 -9.282 5.163 1.00 3.43 C ATOM 533 CD2 TYR A 37 3.111 -11.306 3.998 1.00 73.14 C ATOM 534 CE1 TYR A 37 2.828 -8.565 4.009 1.00 10.33 C ATOM 535 CE2 TYR A 37 3.336 -10.587 2.841 1.00 32.20 C ATOM 536 CZ TYR A 37 3.186 -9.217 2.853 1.00 73.20 C ATOM 537 OH TYR A 37 3.410 -8.492 1.707 1.00 74.34 O ATOM 0 H TYR A 37 5.046 -10.061 7.172 1.00 1.43 H new ATOM 0 HA TYR A 37 3.376 -12.157 8.334 1.00 35.23 H new ATOM 0 HB2 TYR A 37 2.072 -12.436 6.211 1.00 42.24 H new ATOM 0 HB3 TYR A 37 1.700 -10.943 7.050 1.00 42.24 H new ATOM 0 HD1 TYR A 37 2.312 -8.761 6.063 1.00 3.43 H new ATOM 0 HD2 TYR A 37 3.220 -12.380 3.984 1.00 73.14 H new ATOM 0 HE1 TYR A 37 2.723 -7.490 4.012 1.00 10.33 H new ATOM 0 HE2 TYR A 37 3.627 -11.094 1.933 1.00 32.20 H new ATOM 0 HH TYR A 37 2.795 -7.730 1.677 1.00 74.34 H new ATOM 547 N THR A 38 4.474 -13.912 6.853 1.00 72.30 N ATOM 548 CA THR A 38 5.242 -14.951 6.142 1.00 5.44 C ATOM 549 C THR A 38 4.425 -15.390 4.902 1.00 21.00 C ATOM 550 O THR A 38 3.384 -16.041 5.066 1.00 72.13 O ATOM 551 CB THR A 38 5.545 -16.190 7.060 1.00 2.54 C ATOM 552 OG1 THR A 38 6.224 -15.759 8.254 1.00 33.13 O ATOM 553 CG2 THR A 38 6.414 -17.252 6.345 1.00 53.43 C ATOM 0 H THR A 38 3.738 -14.287 7.452 1.00 72.30 H new ATOM 0 HA THR A 38 6.205 -14.537 5.843 1.00 5.44 H new ATOM 0 HB THR A 38 4.587 -16.648 7.307 1.00 2.54 H new ATOM 0 HG1 THR A 38 6.409 -16.535 8.823 1.00 33.13 H new ATOM 0 HG21 THR A 38 6.596 -18.088 7.020 1.00 53.43 H new ATOM 0 HG22 THR A 38 5.894 -17.610 5.457 1.00 53.43 H new ATOM 0 HG23 THR A 38 7.366 -16.807 6.054 1.00 53.43 H new ATOM 561 N PRO A 39 4.844 -14.984 3.648 1.00 40.44 N ATOM 562 CA PRO A 39 4.136 -15.348 2.382 1.00 2.32 C ATOM 563 C PRO A 39 3.855 -16.870 2.230 1.00 53.23 C ATOM 564 O PRO A 39 4.657 -17.705 2.662 1.00 42.53 O ATOM 565 CB PRO A 39 5.106 -14.846 1.275 1.00 4.31 C ATOM 566 CG PRO A 39 5.834 -13.705 1.919 1.00 30.13 C ATOM 567 CD PRO A 39 6.024 -14.117 3.365 1.00 21.14 C ATOM 0 HA PRO A 39 3.143 -14.901 2.342 1.00 2.32 H new ATOM 0 HB2 PRO A 39 5.793 -15.631 0.961 1.00 4.31 H new ATOM 0 HB3 PRO A 39 4.564 -14.523 0.386 1.00 4.31 H new ATOM 0 HG2 PRO A 39 6.792 -13.525 1.432 1.00 30.13 H new ATOM 0 HG3 PRO A 39 5.261 -12.781 1.845 1.00 30.13 H new ATOM 0 HD2 PRO A 39 6.960 -14.657 3.507 1.00 21.14 H new ATOM 0 HD3 PRO A 39 6.052 -13.251 4.027 1.00 21.14 H new ATOM 575 N THR A 40 2.712 -17.206 1.594 1.00 62.12 N ATOM 576 CA THR A 40 2.290 -18.609 1.337 1.00 54.41 C ATOM 577 C THR A 40 3.232 -19.341 0.352 1.00 15.41 C ATOM 578 O THR A 40 3.200 -20.573 0.262 1.00 23.14 O ATOM 579 CB THR A 40 0.826 -18.674 0.787 1.00 12.34 C ATOM 580 OG1 THR A 40 0.731 -17.936 -0.445 1.00 1.01 O ATOM 581 CG2 THR A 40 -0.190 -18.118 1.795 1.00 71.05 C ATOM 0 H THR A 40 2.051 -16.514 1.242 1.00 62.12 H new ATOM 0 HA THR A 40 2.340 -19.116 2.301 1.00 54.41 H new ATOM 0 HB THR A 40 0.588 -19.723 0.613 1.00 12.34 H new ATOM 0 HG1 THR A 40 1.022 -17.012 -0.296 1.00 1.01 H new ATOM 0 HG21 THR A 40 -1.193 -18.182 1.373 1.00 71.05 H new ATOM 0 HG22 THR A 40 -0.145 -18.700 2.715 1.00 71.05 H new ATOM 0 HG23 THR A 40 0.046 -17.076 2.013 1.00 71.05 H new ATOM 589 N ASN A 41 4.063 -18.572 -0.395 1.00 41.13 N ATOM 590 CA ASN A 41 5.155 -19.132 -1.238 1.00 64.32 C ATOM 591 C ASN A 41 6.232 -19.856 -0.365 1.00 24.41 C ATOM 592 O ASN A 41 6.988 -20.704 -0.855 1.00 45.51 O ATOM 593 CB ASN A 41 5.801 -17.973 -2.053 1.00 24.14 C ATOM 594 CG ASN A 41 6.773 -18.441 -3.143 1.00 52.34 C ATOM 595 OD1 ASN A 41 6.596 -19.495 -3.747 1.00 22.40 O ATOM 596 ND2 ASN A 41 7.807 -17.667 -3.403 1.00 43.35 N ATOM 0 H ASN A 41 3.998 -17.555 -0.432 1.00 41.13 H new ATOM 0 HA ASN A 41 4.737 -19.875 -1.917 1.00 64.32 H new ATOM 0 HB2 ASN A 41 5.010 -17.383 -2.516 1.00 24.14 H new ATOM 0 HB3 ASN A 41 6.331 -17.312 -1.367 1.00 24.14 H new ATOM 0 HD21 ASN A 41 8.481 -17.939 -4.119 1.00 43.35 H new ATOM 0 HD22 ASN A 41 7.934 -16.795 -2.888 1.00 43.35 H new ATOM 603 N GLY A 42 6.264 -19.502 0.937 1.00 4.54 N ATOM 604 CA GLY A 42 7.100 -20.180 1.942 1.00 40.35 C ATOM 605 C GLY A 42 8.558 -19.712 1.975 1.00 4.52 C ATOM 606 O GLY A 42 9.405 -20.374 2.589 1.00 14.31 O ATOM 0 H GLY A 42 5.709 -18.736 1.318 1.00 4.54 H new ATOM 0 HA2 GLY A 42 6.659 -20.025 2.927 1.00 40.35 H new ATOM 0 HA3 GLY A 42 7.080 -21.253 1.749 1.00 40.35 H new ATOM 610 N GLY A 43 8.853 -18.560 1.334 1.00 0.32 N ATOM 611 CA GLY A 43 10.221 -18.022 1.275 1.00 72.54 C ATOM 612 C GLY A 43 10.631 -17.245 2.539 1.00 3.14 C ATOM 613 O GLY A 43 10.769 -17.835 3.618 1.00 54.24 O ATOM 0 H GLY A 43 8.159 -17.988 0.852 1.00 0.32 H new ATOM 0 HA2 GLY A 43 10.920 -18.844 1.121 1.00 72.54 H new ATOM 0 HA3 GLY A 43 10.307 -17.364 0.410 1.00 72.54 H new ATOM 617 N GLN A 44 10.819 -15.916 2.402 1.00 23.03 N ATOM 618 CA GLN A 44 11.250 -15.033 3.516 1.00 74.11 C ATOM 619 C GLN A 44 10.081 -14.155 4.020 1.00 11.45 C ATOM 620 O GLN A 44 9.243 -13.709 3.227 1.00 35.53 O ATOM 621 CB GLN A 44 12.442 -14.136 3.076 1.00 43.34 C ATOM 622 CG GLN A 44 12.151 -13.165 1.908 1.00 3.04 C ATOM 623 CD GLN A 44 13.291 -12.176 1.630 1.00 74.25 C ATOM 624 OE1 GLN A 44 14.463 -12.467 1.860 1.00 10.51 O ATOM 625 NE2 GLN A 44 12.959 -11.004 1.129 1.00 74.21 N ATOM 0 H GLN A 44 10.678 -15.422 1.521 1.00 23.03 H new ATOM 0 HA GLN A 44 11.575 -15.672 4.337 1.00 74.11 H new ATOM 0 HB2 GLN A 44 12.772 -13.553 3.936 1.00 43.34 H new ATOM 0 HB3 GLN A 44 13.273 -14.781 2.790 1.00 43.34 H new ATOM 0 HG2 GLN A 44 11.956 -13.744 1.005 1.00 3.04 H new ATOM 0 HG3 GLN A 44 11.242 -12.605 2.130 1.00 3.04 H new ATOM 0 HE21 GLN A 44 11.979 -10.786 0.947 1.00 74.21 H new ATOM 0 HE22 GLN A 44 13.682 -10.314 0.923 1.00 74.21 H new ATOM 634 N ARG A 45 10.031 -13.935 5.348 1.00 55.14 N ATOM 635 CA ARG A 45 9.029 -13.057 5.990 1.00 64.13 C ATOM 636 C ARG A 45 9.230 -11.573 5.593 1.00 65.03 C ATOM 637 O ARG A 45 10.354 -11.055 5.606 1.00 51.15 O ATOM 638 CB ARG A 45 9.109 -13.184 7.535 1.00 52.23 C ATOM 639 CG ARG A 45 8.018 -12.401 8.315 1.00 11.21 C ATOM 640 CD ARG A 45 8.309 -12.302 9.821 1.00 1.22 C ATOM 641 NE ARG A 45 9.514 -11.487 10.081 1.00 21.11 N ATOM 642 CZ ARG A 45 10.544 -11.829 10.825 1.00 74.05 C ATOM 643 NH1 ARG A 45 10.633 -13.003 11.366 1.00 32.14 N ATOM 644 NH2 ARG A 45 11.499 -10.976 10.993 1.00 4.44 N ATOM 0 H ARG A 45 10.683 -14.360 6.007 1.00 55.14 H new ATOM 0 HA ARG A 45 8.048 -13.380 5.642 1.00 64.13 H new ATOM 0 HB2 ARG A 45 9.039 -14.238 7.802 1.00 52.23 H new ATOM 0 HB3 ARG A 45 10.089 -12.837 7.863 1.00 52.23 H new ATOM 0 HG2 ARG A 45 7.933 -11.396 7.900 1.00 11.21 H new ATOM 0 HG3 ARG A 45 7.054 -12.889 8.168 1.00 11.21 H new ATOM 0 HD2 ARG A 45 7.452 -11.862 10.331 1.00 1.22 H new ATOM 0 HD3 ARG A 45 8.447 -13.301 10.234 1.00 1.22 H new ATOM 0 HE ARG A 45 9.551 -10.568 9.640 1.00 21.11 H new ATOM 0 HH11 ARG A 45 9.893 -13.689 11.220 1.00 32.14 H new ATOM 0 HH12 ARG A 45 11.443 -13.241 11.938 1.00 32.14 H new ATOM 0 HH21 ARG A 45 11.446 -10.057 10.553 1.00 4.44 H new ATOM 0 HH22 ARG A 45 12.307 -11.221 11.566 1.00 4.44 H new ATOM 658 N VAL A 46 8.122 -10.914 5.243 1.00 14.44 N ATOM 659 CA VAL A 46 8.083 -9.477 4.919 1.00 52.24 C ATOM 660 C VAL A 46 7.774 -8.653 6.192 1.00 30.44 C ATOM 661 O VAL A 46 6.716 -8.828 6.798 1.00 1.43 O ATOM 662 CB VAL A 46 6.995 -9.197 3.820 1.00 41.42 C ATOM 663 CG1 VAL A 46 6.998 -7.707 3.368 1.00 65.03 C ATOM 664 CG2 VAL A 46 7.173 -10.160 2.618 1.00 1.21 C ATOM 0 H VAL A 46 7.211 -11.367 5.174 1.00 14.44 H new ATOM 0 HA VAL A 46 9.058 -9.179 4.533 1.00 52.24 H new ATOM 0 HB VAL A 46 6.017 -9.388 4.263 1.00 41.42 H new ATOM 0 HG11 VAL A 46 6.232 -7.556 2.608 1.00 65.03 H new ATOM 0 HG12 VAL A 46 6.790 -7.066 4.225 1.00 65.03 H new ATOM 0 HG13 VAL A 46 7.974 -7.454 2.954 1.00 65.03 H new ATOM 0 HG21 VAL A 46 6.410 -9.950 1.868 1.00 1.21 H new ATOM 0 HG22 VAL A 46 8.161 -10.017 2.181 1.00 1.21 H new ATOM 0 HG23 VAL A 46 7.073 -11.190 2.959 1.00 1.21 H new ATOM 674 N ASP A 47 8.703 -7.767 6.590 1.00 14.34 N ATOM 675 CA ASP A 47 8.532 -6.879 7.769 1.00 64.41 C ATOM 676 C ASP A 47 8.158 -5.451 7.320 1.00 30.02 C ATOM 677 O ASP A 47 8.719 -4.938 6.343 1.00 2.42 O ATOM 678 CB ASP A 47 9.821 -6.834 8.624 1.00 52.13 C ATOM 679 CG ASP A 47 10.144 -8.189 9.257 1.00 11.44 C ATOM 680 OD1 ASP A 47 9.596 -8.496 10.334 1.00 30.11 O ATOM 681 OD2 ASP A 47 10.931 -8.963 8.678 1.00 42.41 O ATOM 0 H ASP A 47 9.594 -7.641 6.110 1.00 14.34 H new ATOM 0 HA ASP A 47 7.725 -7.287 8.377 1.00 64.41 H new ATOM 0 HB2 ASP A 47 10.657 -6.518 8.001 1.00 52.13 H new ATOM 0 HB3 ASP A 47 9.708 -6.086 9.409 1.00 52.13 H new ATOM 686 N HIS A 48 7.203 -4.837 8.048 1.00 4.13 N ATOM 687 CA HIS A 48 6.758 -3.434 7.830 1.00 73.02 C ATOM 688 C HIS A 48 6.241 -3.168 6.386 1.00 12.13 C ATOM 689 O HIS A 48 6.526 -2.114 5.789 1.00 53.04 O ATOM 690 CB HIS A 48 7.887 -2.429 8.223 1.00 33.04 C ATOM 691 CG HIS A 48 8.141 -2.306 9.701 1.00 75.44 C ATOM 692 ND1 HIS A 48 8.393 -1.102 10.322 1.00 63.20 N ATOM 693 CD2 HIS A 48 8.190 -3.238 10.678 1.00 21.04 C ATOM 694 CE1 HIS A 48 8.588 -1.300 11.608 1.00 21.53 C ATOM 695 NE2 HIS A 48 8.468 -2.588 11.854 1.00 21.52 N ATOM 0 H HIS A 48 6.711 -5.300 8.812 1.00 4.13 H new ATOM 0 HA HIS A 48 5.903 -3.275 8.487 1.00 73.02 H new ATOM 0 HB2 HIS A 48 8.812 -2.736 7.735 1.00 33.04 H new ATOM 0 HB3 HIS A 48 7.630 -1.445 7.830 1.00 33.04 H new ATOM 0 HD2 HIS A 48 8.038 -4.300 10.556 1.00 21.04 H new ATOM 0 HE1 HIS A 48 8.809 -0.536 12.338 1.00 21.53 H new ATOM 0 HE2 HIS A 48 8.566 -3.030 12.768 1.00 21.52 H new ATOM 704 N HIS A 49 5.461 -4.126 5.851 1.00 71.54 N ATOM 705 CA HIS A 49 4.817 -3.990 4.528 1.00 4.44 C ATOM 706 C HIS A 49 3.744 -2.885 4.557 1.00 70.31 C ATOM 707 O HIS A 49 2.819 -2.916 5.382 1.00 15.00 O ATOM 708 CB HIS A 49 4.187 -5.325 4.076 1.00 50.33 C ATOM 709 CG HIS A 49 3.580 -5.282 2.686 1.00 22.35 C ATOM 710 ND1 HIS A 49 4.343 -5.510 1.566 1.00 24.42 N ATOM 711 CD2 HIS A 49 2.300 -5.033 2.295 1.00 50.02 C ATOM 712 CE1 HIS A 49 3.525 -5.395 0.535 1.00 43.01 C ATOM 713 NE2 HIS A 49 2.279 -5.107 0.927 1.00 32.21 N ATOM 0 H HIS A 49 5.260 -5.010 6.318 1.00 71.54 H new ATOM 0 HA HIS A 49 5.589 -3.713 3.810 1.00 4.44 H new ATOM 0 HB2 HIS A 49 4.950 -6.103 4.104 1.00 50.33 H new ATOM 0 HB3 HIS A 49 3.414 -5.610 4.790 1.00 50.33 H new ATOM 0 HD2 HIS A 49 1.461 -4.818 2.940 1.00 50.02 H new ATOM 0 HE1 HIS A 49 3.825 -5.518 -0.495 1.00 43.01 H new ATOM 0 HE2 HIS A 49 1.469 -4.969 0.323 1.00 32.21 H new ATOM 721 N LYS A 50 3.894 -1.916 3.649 1.00 5.14 N ATOM 722 CA LYS A 50 2.984 -0.763 3.520 1.00 34.23 C ATOM 723 C LYS A 50 2.568 -0.571 2.036 1.00 12.05 C ATOM 724 O LYS A 50 3.378 -0.822 1.146 1.00 4.10 O ATOM 725 CB LYS A 50 3.690 0.519 4.037 1.00 63.32 C ATOM 726 CG LYS A 50 4.171 0.447 5.504 1.00 34.20 C ATOM 727 CD LYS A 50 4.961 1.696 5.954 1.00 72.42 C ATOM 728 CE LYS A 50 6.177 1.987 5.054 1.00 73.13 C ATOM 729 NZ LYS A 50 7.068 0.799 4.887 1.00 52.23 N ATOM 0 H LYS A 50 4.658 -1.906 2.973 1.00 5.14 H new ATOM 0 HA LYS A 50 2.090 -0.949 4.115 1.00 34.23 H new ATOM 0 HB2 LYS A 50 4.548 0.727 3.398 1.00 63.32 H new ATOM 0 HB3 LYS A 50 3.005 1.361 3.935 1.00 63.32 H new ATOM 0 HG2 LYS A 50 3.307 0.319 6.156 1.00 34.20 H new ATOM 0 HG3 LYS A 50 4.799 -0.435 5.630 1.00 34.20 H new ATOM 0 HD2 LYS A 50 4.297 2.561 5.952 1.00 72.42 H new ATOM 0 HD3 LYS A 50 5.299 1.556 6.981 1.00 72.42 H new ATOM 0 HE2 LYS A 50 5.829 2.315 4.075 1.00 73.13 H new ATOM 0 HE3 LYS A 50 6.751 2.810 5.481 1.00 73.13 H new ATOM 0 HZ1 LYS A 50 8.061 1.094 4.981 1.00 52.23 H new ATOM 0 HZ2 LYS A 50 6.846 0.093 5.618 1.00 52.23 H new ATOM 0 HZ3 LYS A 50 6.918 0.382 3.946 1.00 52.23 H new ATOM 743 N TRP A 51 1.317 -0.144 1.743 1.00 44.35 N ATOM 744 CA TRP A 51 0.201 -0.016 2.718 1.00 52.03 C ATOM 745 C TRP A 51 -0.909 -1.042 2.411 1.00 63.14 C ATOM 746 O TRP A 51 -1.208 -1.323 1.248 1.00 13.03 O ATOM 747 CB TRP A 51 -0.391 1.424 2.706 1.00 31.21 C ATOM 748 CG TRP A 51 0.578 2.480 3.182 1.00 4.35 C ATOM 749 CD1 TRP A 51 1.436 3.221 2.417 1.00 2.42 C ATOM 750 CD2 TRP A 51 0.798 2.895 4.543 1.00 50.34 C ATOM 751 NE1 TRP A 51 2.174 4.060 3.211 1.00 52.34 N ATOM 752 CE2 TRP A 51 1.800 3.885 4.519 1.00 71.22 C ATOM 753 CE3 TRP A 51 0.245 2.522 5.774 1.00 75.51 C ATOM 754 CZ2 TRP A 51 2.256 4.512 5.674 1.00 22.22 C ATOM 755 CZ3 TRP A 51 0.698 3.147 6.924 1.00 31.41 C ATOM 756 CH2 TRP A 51 1.698 4.133 6.867 1.00 70.22 C ATOM 0 H TRP A 51 1.046 0.129 0.798 1.00 44.35 H new ATOM 0 HA TRP A 51 0.604 -0.216 3.711 1.00 52.03 H new ATOM 0 HB2 TRP A 51 -0.712 1.667 1.693 1.00 31.21 H new ATOM 0 HB3 TRP A 51 -1.280 1.448 3.336 1.00 31.21 H new ATOM 0 HD1 TRP A 51 1.520 3.155 1.342 1.00 2.42 H new ATOM 0 HE1 TRP A 51 2.887 4.711 2.882 1.00 52.34 H new ATOM 0 HE3 TRP A 51 -0.520 1.762 5.826 1.00 75.51 H new ATOM 0 HZ2 TRP A 51 3.023 5.271 5.632 1.00 22.22 H new ATOM 0 HZ3 TRP A 51 0.276 2.872 7.880 1.00 31.41 H new ATOM 0 HH2 TRP A 51 2.033 4.601 7.781 1.00 70.22 H new ATOM 767 N VAL A 52 -1.493 -1.600 3.480 1.00 70.23 N ATOM 768 CA VAL A 52 -2.703 -2.444 3.406 1.00 3.22 C ATOM 769 C VAL A 52 -3.853 -1.724 4.137 1.00 41.21 C ATOM 770 O VAL A 52 -3.627 -1.064 5.150 1.00 62.44 O ATOM 771 CB VAL A 52 -2.487 -3.888 4.014 1.00 14.43 C ATOM 772 CG1 VAL A 52 -1.419 -4.683 3.218 1.00 45.12 C ATOM 773 CG2 VAL A 52 -2.133 -3.834 5.524 1.00 31.44 C ATOM 0 H VAL A 52 -1.140 -1.480 4.429 1.00 70.23 H new ATOM 0 HA VAL A 52 -2.946 -2.589 2.353 1.00 3.22 H new ATOM 0 HB VAL A 52 -3.435 -4.417 3.922 1.00 14.43 H new ATOM 0 HG11 VAL A 52 -1.295 -5.671 3.662 1.00 45.12 H new ATOM 0 HG12 VAL A 52 -1.741 -4.789 2.182 1.00 45.12 H new ATOM 0 HG13 VAL A 52 -0.469 -4.149 3.250 1.00 45.12 H new ATOM 0 HG21 VAL A 52 -1.993 -4.847 5.901 1.00 31.44 H new ATOM 0 HG22 VAL A 52 -1.214 -3.265 5.662 1.00 31.44 H new ATOM 0 HG23 VAL A 52 -2.943 -3.352 6.071 1.00 31.44 H new ATOM 783 N ILE A 53 -5.078 -1.823 3.618 1.00 73.22 N ATOM 784 CA ILE A 53 -6.256 -1.168 4.239 1.00 23.40 C ATOM 785 C ILE A 53 -7.212 -2.216 4.843 1.00 53.52 C ATOM 786 O ILE A 53 -7.064 -3.420 4.595 1.00 74.10 O ATOM 787 CB ILE A 53 -7.012 -0.241 3.218 1.00 74.31 C ATOM 788 CG1 ILE A 53 -7.591 -1.064 2.025 1.00 12.40 C ATOM 789 CG2 ILE A 53 -6.071 0.888 2.716 1.00 41.42 C ATOM 790 CD1 ILE A 53 -8.346 -0.254 0.985 1.00 73.42 C ATOM 0 H ILE A 53 -5.292 -2.348 2.770 1.00 73.22 H new ATOM 0 HA ILE A 53 -5.890 -0.533 5.046 1.00 23.40 H new ATOM 0 HB ILE A 53 -7.855 0.218 3.734 1.00 74.31 H new ATOM 0 HG12 ILE A 53 -6.770 -1.584 1.531 1.00 12.40 H new ATOM 0 HG13 ILE A 53 -8.259 -1.828 2.422 1.00 12.40 H new ATOM 0 HG21 ILE A 53 -6.608 1.522 2.010 1.00 41.42 H new ATOM 0 HG22 ILE A 53 -5.739 1.488 3.563 1.00 41.42 H new ATOM 0 HG23 ILE A 53 -5.205 0.447 2.222 1.00 41.42 H new ATOM 0 HD11 ILE A 53 -8.707 -0.917 0.199 1.00 73.42 H new ATOM 0 HD12 ILE A 53 -9.193 0.245 1.457 1.00 73.42 H new ATOM 0 HD13 ILE A 53 -7.680 0.493 0.552 1.00 73.42 H new ATOM 802 N GLN A 54 -8.173 -1.741 5.658 1.00 40.32 N ATOM 803 CA GLN A 54 -9.194 -2.592 6.322 1.00 44.32 C ATOM 804 C GLN A 54 -9.982 -3.500 5.324 1.00 24.44 C ATOM 805 O GLN A 54 -10.299 -4.648 5.645 1.00 35.34 O ATOM 806 CB GLN A 54 -10.150 -1.683 7.143 1.00 33.31 C ATOM 807 CG GLN A 54 -11.182 -2.426 8.017 1.00 64.10 C ATOM 808 CD GLN A 54 -12.001 -1.492 8.909 1.00 4.13 C ATOM 809 OE1 GLN A 54 -13.053 -1.003 8.518 1.00 41.22 O ATOM 810 NE2 GLN A 54 -11.521 -1.229 10.106 1.00 24.42 N ATOM 0 H GLN A 54 -8.268 -0.750 5.879 1.00 40.32 H new ATOM 0 HA GLN A 54 -8.677 -3.282 6.989 1.00 44.32 H new ATOM 0 HB2 GLN A 54 -9.549 -1.041 7.787 1.00 33.31 H new ATOM 0 HB3 GLN A 54 -10.686 -1.031 6.453 1.00 33.31 H new ATOM 0 HG2 GLN A 54 -11.858 -2.987 7.372 1.00 64.10 H new ATOM 0 HG3 GLN A 54 -10.663 -3.152 8.642 1.00 64.10 H new ATOM 0 HE21 GLN A 54 -10.642 -1.650 10.407 1.00 24.42 H new ATOM 0 HE22 GLN A 54 -12.028 -0.604 10.733 1.00 24.42 H new ATOM 819 N GLU A 55 -10.243 -2.999 4.098 1.00 41.23 N ATOM 820 CA GLU A 55 -10.976 -3.755 3.040 1.00 4.44 C ATOM 821 C GLU A 55 -10.166 -4.982 2.521 1.00 51.44 C ATOM 822 O GLU A 55 -10.740 -5.972 2.054 1.00 70.34 O ATOM 823 CB GLU A 55 -11.302 -2.781 1.872 1.00 34.20 C ATOM 824 CG GLU A 55 -12.085 -3.380 0.679 1.00 31.53 C ATOM 825 CD GLU A 55 -13.484 -3.906 1.047 1.00 23.00 C ATOM 826 OE1 GLU A 55 -14.372 -3.086 1.357 1.00 31.14 O ATOM 827 OE2 GLU A 55 -13.718 -5.136 0.997 1.00 41.45 O ATOM 0 H GLU A 55 -9.956 -2.064 3.807 1.00 41.23 H new ATOM 0 HA GLU A 55 -11.895 -4.152 3.470 1.00 4.44 H new ATOM 0 HB2 GLU A 55 -11.876 -1.946 2.273 1.00 34.20 H new ATOM 0 HB3 GLU A 55 -10.364 -2.372 1.495 1.00 34.20 H new ATOM 0 HG2 GLU A 55 -12.187 -2.619 -0.094 1.00 31.53 H new ATOM 0 HG3 GLU A 55 -11.503 -4.195 0.249 1.00 31.53 H new ATOM 834 N GLU A 56 -8.829 -4.921 2.650 1.00 75.31 N ATOM 835 CA GLU A 56 -7.906 -5.961 2.129 1.00 32.15 C ATOM 836 C GLU A 56 -7.605 -7.050 3.181 1.00 10.50 C ATOM 837 O GLU A 56 -6.822 -7.971 2.925 1.00 22.54 O ATOM 838 CB GLU A 56 -6.587 -5.298 1.671 1.00 51.43 C ATOM 839 CG GLU A 56 -6.754 -4.327 0.491 1.00 72.13 C ATOM 840 CD GLU A 56 -5.426 -3.725 0.014 1.00 63.31 C ATOM 841 OE1 GLU A 56 -4.730 -3.106 0.836 1.00 1.32 O ATOM 842 OE2 GLU A 56 -5.081 -3.855 -1.185 1.00 25.12 O ATOM 0 H GLU A 56 -8.351 -4.151 3.118 1.00 75.31 H new ATOM 0 HA GLU A 56 -8.395 -6.447 1.285 1.00 32.15 H new ATOM 0 HB2 GLU A 56 -6.151 -4.760 2.513 1.00 51.43 H new ATOM 0 HB3 GLU A 56 -5.879 -6.077 1.390 1.00 51.43 H new ATOM 0 HG2 GLU A 56 -7.227 -4.852 -0.339 1.00 72.13 H new ATOM 0 HG3 GLU A 56 -7.427 -3.521 0.784 1.00 72.13 H new ATOM 849 N ILE A 57 -8.221 -6.927 4.365 1.00 43.05 N ATOM 850 CA ILE A 57 -8.030 -7.857 5.491 1.00 32.23 C ATOM 851 C ILE A 57 -9.302 -8.716 5.695 1.00 55.13 C ATOM 852 O ILE A 57 -10.418 -8.193 5.746 1.00 22.35 O ATOM 853 CB ILE A 57 -7.666 -7.047 6.791 1.00 45.12 C ATOM 854 CG1 ILE A 57 -6.303 -6.293 6.579 1.00 14.54 C ATOM 855 CG2 ILE A 57 -7.630 -7.961 8.041 1.00 14.22 C ATOM 856 CD1 ILE A 57 -5.875 -5.381 7.714 1.00 64.31 C ATOM 0 H ILE A 57 -8.874 -6.171 4.572 1.00 43.05 H new ATOM 0 HA ILE A 57 -7.205 -8.534 5.270 1.00 32.23 H new ATOM 0 HB ILE A 57 -8.446 -6.308 6.973 1.00 45.12 H new ATOM 0 HG12 ILE A 57 -5.520 -7.034 6.417 1.00 14.54 H new ATOM 0 HG13 ILE A 57 -6.374 -5.700 5.667 1.00 14.54 H new ATOM 0 HG21 ILE A 57 -7.375 -7.367 8.919 1.00 14.22 H new ATOM 0 HG22 ILE A 57 -8.608 -8.420 8.185 1.00 14.22 H new ATOM 0 HG23 ILE A 57 -6.881 -8.740 7.901 1.00 14.22 H new ATOM 0 HD11 ILE A 57 -4.923 -4.912 7.465 1.00 64.31 H new ATOM 0 HD12 ILE A 57 -6.631 -4.610 7.866 1.00 64.31 H new ATOM 0 HD13 ILE A 57 -5.763 -5.965 8.628 1.00 64.31 H new ATOM 868 N LYS A 58 -9.099 -10.038 5.819 1.00 30.53 N ATOM 869 CA LYS A 58 -10.186 -11.039 5.906 1.00 74.13 C ATOM 870 C LYS A 58 -10.910 -10.992 7.273 1.00 64.11 C ATOM 871 O LYS A 58 -12.140 -11.088 7.346 1.00 74.04 O ATOM 872 CB LYS A 58 -9.585 -12.451 5.670 1.00 51.00 C ATOM 873 CG LYS A 58 -10.619 -13.553 5.368 1.00 71.50 C ATOM 874 CD LYS A 58 -9.959 -14.937 5.153 1.00 70.01 C ATOM 875 CE LYS A 58 -10.914 -15.951 4.509 1.00 33.42 C ATOM 876 NZ LYS A 58 -11.289 -15.562 3.126 1.00 61.23 N ATOM 0 H LYS A 58 -8.167 -10.451 5.863 1.00 30.53 H new ATOM 0 HA LYS A 58 -10.929 -10.809 5.142 1.00 74.13 H new ATOM 0 HB2 LYS A 58 -8.881 -12.396 4.840 1.00 51.00 H new ATOM 0 HB3 LYS A 58 -9.015 -12.740 6.553 1.00 51.00 H new ATOM 0 HG2 LYS A 58 -11.330 -13.616 6.192 1.00 71.50 H new ATOM 0 HG3 LYS A 58 -11.186 -13.281 4.478 1.00 71.50 H new ATOM 0 HD2 LYS A 58 -9.078 -14.821 4.522 1.00 70.01 H new ATOM 0 HD3 LYS A 58 -9.616 -15.325 6.112 1.00 70.01 H new ATOM 0 HE2 LYS A 58 -10.443 -16.934 4.494 1.00 33.42 H new ATOM 0 HE3 LYS A 58 -11.814 -16.038 5.118 1.00 33.42 H new ATOM 0 HZ1 LYS A 58 -11.443 -16.417 2.555 1.00 61.23 H new ATOM 0 HZ2 LYS A 58 -12.163 -14.998 3.149 1.00 61.23 H new ATOM 0 HZ3 LYS A 58 -10.524 -14.998 2.705 1.00 61.23 H new ATOM 890 N ASP A 59 -10.120 -10.859 8.346 1.00 20.32 N ATOM 891 CA ASP A 59 -10.624 -10.826 9.739 1.00 43.31 C ATOM 892 C ASP A 59 -11.217 -9.439 10.121 1.00 34.31 C ATOM 893 O ASP A 59 -11.861 -9.325 11.173 1.00 33.31 O ATOM 894 CB ASP A 59 -9.469 -11.229 10.700 1.00 33.10 C ATOM 895 CG ASP A 59 -9.886 -11.333 12.181 1.00 3.44 C ATOM 896 OD1 ASP A 59 -10.467 -12.364 12.571 1.00 44.22 O ATOM 897 OD2 ASP A 59 -9.653 -10.371 12.951 1.00 73.34 O ATOM 0 H ASP A 59 -9.106 -10.770 8.279 1.00 20.32 H new ATOM 0 HA ASP A 59 -11.444 -11.539 9.829 1.00 43.31 H new ATOM 0 HB2 ASP A 59 -9.064 -12.189 10.380 1.00 33.10 H new ATOM 0 HB3 ASP A 59 -8.665 -10.498 10.611 1.00 33.10 H new ATOM 902 N ALA A 60 -11.010 -8.407 9.258 1.00 52.21 N ATOM 903 CA ALA A 60 -11.391 -6.992 9.538 1.00 72.01 C ATOM 904 C ALA A 60 -12.794 -6.835 10.177 1.00 30.12 C ATOM 905 O ALA A 60 -12.902 -6.275 11.265 1.00 11.44 O ATOM 906 CB ALA A 60 -11.287 -6.159 8.261 1.00 32.43 C ATOM 0 H ALA A 60 -10.573 -8.532 8.345 1.00 52.21 H new ATOM 0 HA ALA A 60 -10.683 -6.625 10.281 1.00 72.01 H new ATOM 0 HB1 ALA A 60 -11.567 -5.128 8.476 1.00 32.43 H new ATOM 0 HB2 ALA A 60 -10.262 -6.187 7.891 1.00 32.43 H new ATOM 0 HB3 ALA A 60 -11.957 -6.567 7.505 1.00 32.43 H new ATOM 912 N GLY A 61 -13.858 -7.321 9.499 1.00 73.43 N ATOM 913 CA GLY A 61 -15.181 -7.474 10.135 1.00 61.13 C ATOM 914 C GLY A 61 -15.851 -6.188 10.641 1.00 32.54 C ATOM 915 O GLY A 61 -16.553 -6.245 11.661 1.00 5.42 O ATOM 0 H GLY A 61 -13.825 -7.611 8.522 1.00 73.43 H new ATOM 0 HA2 GLY A 61 -15.851 -7.949 9.418 1.00 61.13 H new ATOM 0 HA3 GLY A 61 -15.078 -8.159 10.977 1.00 61.13 H new ATOM 919 N ASP A 62 -15.596 -5.041 9.968 1.00 22.15 N ATOM 920 CA ASP A 62 -16.101 -3.689 10.371 1.00 14.20 C ATOM 921 C ASP A 62 -15.352 -3.099 11.628 1.00 61.11 C ATOM 922 O ASP A 62 -15.485 -1.902 11.919 1.00 44.13 O ATOM 923 CB ASP A 62 -17.665 -3.704 10.552 1.00 62.35 C ATOM 924 CG ASP A 62 -18.286 -2.358 10.978 1.00 13.34 C ATOM 925 OD1 ASP A 62 -18.402 -1.451 10.133 1.00 53.41 O ATOM 926 OD2 ASP A 62 -18.657 -2.202 12.168 1.00 13.03 O ATOM 0 H ASP A 62 -15.029 -5.019 9.120 1.00 22.15 H new ATOM 0 HA ASP A 62 -15.870 -3.005 9.554 1.00 14.20 H new ATOM 0 HB2 ASP A 62 -18.121 -4.016 9.612 1.00 62.35 H new ATOM 0 HB3 ASP A 62 -17.922 -4.457 11.297 1.00 62.35 H new ATOM 931 N LYS A 63 -14.524 -3.913 12.333 1.00 51.22 N ATOM 932 CA LYS A 63 -13.795 -3.450 13.551 1.00 41.32 C ATOM 933 C LYS A 63 -12.406 -2.873 13.177 1.00 13.21 C ATOM 934 O LYS A 63 -11.813 -3.248 12.157 1.00 22.44 O ATOM 935 CB LYS A 63 -13.640 -4.585 14.619 1.00 1.14 C ATOM 936 CG LYS A 63 -12.620 -5.699 14.279 1.00 70.15 C ATOM 937 CD LYS A 63 -12.481 -6.757 15.401 1.00 21.32 C ATOM 938 CE LYS A 63 -11.507 -7.894 15.036 1.00 51.24 C ATOM 939 NZ LYS A 63 -11.985 -8.689 13.872 1.00 54.32 N ATOM 0 H LYS A 63 -14.343 -4.886 12.085 1.00 51.22 H new ATOM 0 HA LYS A 63 -14.399 -2.660 13.998 1.00 41.32 H new ATOM 0 HB2 LYS A 63 -13.349 -4.129 15.565 1.00 1.14 H new ATOM 0 HB3 LYS A 63 -14.615 -5.047 14.774 1.00 1.14 H new ATOM 0 HG2 LYS A 63 -12.925 -6.194 13.357 1.00 70.15 H new ATOM 0 HG3 LYS A 63 -11.646 -5.247 14.091 1.00 70.15 H new ATOM 0 HD2 LYS A 63 -12.137 -6.269 16.313 1.00 21.32 H new ATOM 0 HD3 LYS A 63 -13.462 -7.181 15.617 1.00 21.32 H new ATOM 0 HE2 LYS A 63 -10.528 -7.473 14.809 1.00 51.24 H new ATOM 0 HE3 LYS A 63 -11.380 -8.552 15.896 1.00 51.24 H new ATOM 0 HZ1 LYS A 63 -11.384 -9.530 13.756 1.00 54.32 H new ATOM 0 HZ2 LYS A 63 -12.968 -8.986 14.035 1.00 54.32 H new ATOM 0 HZ3 LYS A 63 -11.937 -8.107 13.011 1.00 54.32 H new ATOM 953 N THR A 64 -11.900 -1.963 14.023 1.00 63.14 N ATOM 954 CA THR A 64 -10.551 -1.381 13.872 1.00 73.44 C ATOM 955 C THR A 64 -9.511 -2.299 14.549 1.00 43.54 C ATOM 956 O THR A 64 -9.700 -2.722 15.696 1.00 31.24 O ATOM 957 CB THR A 64 -10.463 0.059 14.485 1.00 0.03 C ATOM 958 OG1 THR A 64 -11.392 0.936 13.825 1.00 31.31 O ATOM 959 CG2 THR A 64 -9.039 0.654 14.373 1.00 33.54 C ATOM 0 H THR A 64 -12.411 -1.608 14.831 1.00 63.14 H new ATOM 0 HA THR A 64 -10.341 -1.301 12.805 1.00 73.44 H new ATOM 0 HB THR A 64 -10.713 -0.028 15.542 1.00 0.03 H new ATOM 0 HG1 THR A 64 -11.330 1.832 14.216 1.00 31.31 H new ATOM 0 HG21 THR A 64 -9.026 1.652 14.811 1.00 33.54 H new ATOM 0 HG22 THR A 64 -8.335 0.015 14.906 1.00 33.54 H new ATOM 0 HG23 THR A 64 -8.751 0.714 13.323 1.00 33.54 H new ATOM 967 N LEU A 65 -8.439 -2.627 13.812 1.00 33.44 N ATOM 968 CA LEU A 65 -7.320 -3.446 14.320 1.00 22.03 C ATOM 969 C LEU A 65 -6.230 -2.567 14.989 1.00 64.43 C ATOM 970 O LEU A 65 -5.973 -1.433 14.569 1.00 72.15 O ATOM 971 CB LEU A 65 -6.726 -4.272 13.157 1.00 25.25 C ATOM 972 CG LEU A 65 -7.740 -5.195 12.402 1.00 11.13 C ATOM 973 CD1 LEU A 65 -7.090 -5.820 11.158 1.00 3.04 C ATOM 974 CD2 LEU A 65 -8.334 -6.279 13.343 1.00 10.23 C ATOM 0 H LEU A 65 -8.320 -2.332 12.843 1.00 33.44 H new ATOM 0 HA LEU A 65 -7.699 -4.122 15.087 1.00 22.03 H new ATOM 0 HB2 LEU A 65 -6.280 -3.586 12.437 1.00 25.25 H new ATOM 0 HB3 LEU A 65 -5.919 -4.891 13.549 1.00 25.25 H new ATOM 0 HG LEU A 65 -8.570 -4.574 12.066 1.00 11.13 H new ATOM 0 HD11 LEU A 65 -7.814 -6.457 10.650 1.00 3.04 H new ATOM 0 HD12 LEU A 65 -6.765 -5.030 10.481 1.00 3.04 H new ATOM 0 HD13 LEU A 65 -6.229 -6.417 11.459 1.00 3.04 H new ATOM 0 HD21 LEU A 65 -9.034 -6.901 12.785 1.00 10.23 H new ATOM 0 HD22 LEU A 65 -7.529 -6.900 13.736 1.00 10.23 H new ATOM 0 HD23 LEU A 65 -8.856 -5.797 14.169 1.00 10.23 H new ATOM 986 N GLN A 66 -5.601 -3.128 16.029 1.00 22.44 N ATOM 987 CA GLN A 66 -4.572 -2.456 16.866 1.00 1.22 C ATOM 988 C GLN A 66 -3.218 -3.199 16.719 1.00 54.42 C ATOM 989 O GLN A 66 -3.213 -4.364 16.304 1.00 34.14 O ATOM 990 CB GLN A 66 -5.021 -2.433 18.371 1.00 71.32 C ATOM 991 CG GLN A 66 -6.184 -1.460 18.704 1.00 12.54 C ATOM 992 CD GLN A 66 -7.552 -1.831 18.110 1.00 12.51 C ATOM 993 OE1 GLN A 66 -7.845 -3.113 17.976 1.00 24.01 O flip ATOM 994 NE2 GLN A 66 -8.349 -0.961 17.781 1.00 44.15 N flip ATOM 0 H GLN A 66 -5.791 -4.085 16.328 1.00 22.44 H new ATOM 0 HA GLN A 66 -4.454 -1.426 16.528 1.00 1.22 H new ATOM 0 HB2 GLN A 66 -5.319 -3.441 18.659 1.00 71.32 H new ATOM 0 HB3 GLN A 66 -4.161 -2.168 18.985 1.00 71.32 H new ATOM 0 HG2 GLN A 66 -6.283 -1.399 19.788 1.00 12.54 H new ATOM 0 HG3 GLN A 66 -5.913 -0.465 18.352 1.00 12.54 H new ATOM 0 HE21 GLN A 66 -8.105 0.023 17.892 1.00 44.15 H new ATOM 0 HE22 GLN A 66 -9.257 -1.221 17.396 1.00 44.15 H new ATOM 1003 N PRO A 67 -2.041 -2.538 17.025 1.00 5.31 N ATOM 1004 CA PRO A 67 -0.713 -3.218 17.024 1.00 3.55 C ATOM 1005 C PRO A 67 -0.690 -4.516 17.899 1.00 43.43 C ATOM 1006 O PRO A 67 -0.817 -4.466 19.128 1.00 12.21 O ATOM 1007 CB PRO A 67 0.270 -2.123 17.551 1.00 34.02 C ATOM 1008 CG PRO A 67 -0.611 -1.055 18.141 1.00 34.53 C ATOM 1009 CD PRO A 67 -1.892 -1.090 17.339 1.00 52.23 C ATOM 0 HA PRO A 67 -0.440 -3.580 16.033 1.00 3.55 H new ATOM 0 HB2 PRO A 67 0.950 -2.531 18.299 1.00 34.02 H new ATOM 0 HB3 PRO A 67 0.886 -1.725 16.744 1.00 34.02 H new ATOM 0 HG2 PRO A 67 -0.805 -1.247 19.196 1.00 34.53 H new ATOM 0 HG3 PRO A 67 -0.136 -0.076 18.077 1.00 34.53 H new ATOM 0 HD2 PRO A 67 -2.739 -0.710 17.911 1.00 52.23 H new ATOM 0 HD3 PRO A 67 -1.821 -0.485 16.435 1.00 52.23 H new ATOM 1017 N GLY A 68 -0.513 -5.666 17.217 1.00 25.42 N ATOM 1018 CA GLY A 68 -0.538 -6.998 17.847 1.00 41.05 C ATOM 1019 C GLY A 68 -1.670 -7.913 17.354 1.00 72.15 C ATOM 1020 O GLY A 68 -1.605 -9.132 17.566 1.00 23.32 O ATOM 0 H GLY A 68 -0.348 -5.695 16.211 1.00 25.42 H new ATOM 0 HA2 GLY A 68 0.417 -7.491 17.664 1.00 41.05 H new ATOM 0 HA3 GLY A 68 -0.631 -6.874 18.926 1.00 41.05 H new ATOM 1024 N ASP A 69 -2.713 -7.340 16.708 1.00 51.31 N ATOM 1025 CA ASP A 69 -3.809 -8.137 16.093 1.00 14.24 C ATOM 1026 C ASP A 69 -3.291 -8.964 14.891 1.00 44.53 C ATOM 1027 O ASP A 69 -2.699 -8.422 13.957 1.00 52.34 O ATOM 1028 CB ASP A 69 -4.997 -7.226 15.649 1.00 13.51 C ATOM 1029 CG ASP A 69 -5.935 -6.849 16.811 1.00 11.12 C ATOM 1030 OD1 ASP A 69 -6.875 -7.624 17.098 1.00 12.11 O ATOM 1031 OD2 ASP A 69 -5.737 -5.795 17.453 1.00 10.04 O ATOM 0 H ASP A 69 -2.821 -6.332 16.598 1.00 51.31 H new ATOM 0 HA ASP A 69 -4.174 -8.825 16.855 1.00 14.24 H new ATOM 0 HB2 ASP A 69 -4.601 -6.315 15.199 1.00 13.51 H new ATOM 0 HB3 ASP A 69 -5.572 -7.738 14.877 1.00 13.51 H new ATOM 1036 N GLN A 70 -3.539 -10.284 14.927 1.00 61.04 N ATOM 1037 CA GLN A 70 -3.060 -11.228 13.895 1.00 63.53 C ATOM 1038 C GLN A 70 -4.237 -11.658 12.987 1.00 42.45 C ATOM 1039 O GLN A 70 -5.254 -12.157 13.470 1.00 33.44 O ATOM 1040 CB GLN A 70 -2.384 -12.461 14.552 1.00 52.15 C ATOM 1041 CG GLN A 70 -1.523 -13.300 13.586 1.00 4.13 C ATOM 1042 CD GLN A 70 -0.866 -14.511 14.250 1.00 42.32 C ATOM 1043 OE1 GLN A 70 -1.424 -15.120 15.159 1.00 51.42 O ATOM 1044 NE2 GLN A 70 0.344 -14.839 13.844 1.00 2.50 N ATOM 0 H GLN A 70 -4.077 -10.730 15.671 1.00 61.04 H new ATOM 0 HA GLN A 70 -2.312 -10.728 13.279 1.00 63.53 H new ATOM 0 HB2 GLN A 70 -1.758 -12.121 15.377 1.00 52.15 H new ATOM 0 HB3 GLN A 70 -3.157 -13.100 14.980 1.00 52.15 H new ATOM 0 HG2 GLN A 70 -2.146 -13.642 12.760 1.00 4.13 H new ATOM 0 HG3 GLN A 70 -0.747 -12.665 13.158 1.00 4.13 H new ATOM 0 HE21 GLN A 70 0.787 -14.318 13.087 1.00 2.50 H new ATOM 0 HE22 GLN A 70 0.838 -15.614 14.287 1.00 2.50 H new ATOM 1053 N VAL A 71 -4.066 -11.463 11.669 1.00 52.12 N ATOM 1054 CA VAL A 71 -5.134 -11.597 10.646 1.00 12.50 C ATOM 1055 C VAL A 71 -4.621 -12.355 9.390 1.00 32.24 C ATOM 1056 O VAL A 71 -3.445 -12.686 9.295 1.00 75.54 O ATOM 1057 CB VAL A 71 -5.660 -10.171 10.218 1.00 63.22 C ATOM 1058 CG1 VAL A 71 -6.319 -9.427 11.412 1.00 64.33 C ATOM 1059 CG2 VAL A 71 -4.521 -9.312 9.581 1.00 4.31 C ATOM 0 H VAL A 71 -3.165 -11.202 11.269 1.00 52.12 H new ATOM 0 HA VAL A 71 -5.947 -12.171 11.089 1.00 12.50 H new ATOM 0 HB VAL A 71 -6.427 -10.322 9.458 1.00 63.22 H new ATOM 0 HG11 VAL A 71 -6.670 -8.449 11.082 1.00 64.33 H new ATOM 0 HG12 VAL A 71 -7.163 -10.009 11.783 1.00 64.33 H new ATOM 0 HG13 VAL A 71 -5.587 -9.300 12.210 1.00 64.33 H new ATOM 0 HG21 VAL A 71 -4.916 -8.337 9.297 1.00 4.31 H new ATOM 0 HG22 VAL A 71 -3.716 -9.181 10.304 1.00 4.31 H new ATOM 0 HG23 VAL A 71 -4.135 -9.818 8.696 1.00 4.31 H new ATOM 1069 N ILE A 72 -5.531 -12.636 8.434 1.00 42.13 N ATOM 1070 CA ILE A 72 -5.170 -13.177 7.091 1.00 54.30 C ATOM 1071 C ILE A 72 -5.453 -12.106 6.000 1.00 2.01 C ATOM 1072 O ILE A 72 -6.432 -11.361 6.096 1.00 2.40 O ATOM 1073 CB ILE A 72 -5.954 -14.518 6.788 1.00 74.11 C ATOM 1074 CG1 ILE A 72 -5.597 -15.620 7.843 1.00 42.03 C ATOM 1075 CG2 ILE A 72 -5.705 -15.037 5.344 1.00 71.31 C ATOM 1076 CD1 ILE A 72 -4.135 -16.058 7.858 1.00 10.32 C ATOM 0 H ILE A 72 -6.533 -12.498 8.562 1.00 42.13 H new ATOM 0 HA ILE A 72 -4.106 -13.413 7.083 1.00 54.30 H new ATOM 0 HB ILE A 72 -7.017 -14.290 6.865 1.00 74.11 H new ATOM 0 HG12 ILE A 72 -5.858 -15.249 8.834 1.00 42.03 H new ATOM 0 HG13 ILE A 72 -6.220 -16.495 7.655 1.00 42.03 H new ATOM 0 HG21 ILE A 72 -6.265 -15.959 5.187 1.00 71.31 H new ATOM 0 HG22 ILE A 72 -6.034 -14.286 4.626 1.00 71.31 H new ATOM 0 HG23 ILE A 72 -4.641 -15.231 5.205 1.00 71.31 H new ATOM 0 HD11 ILE A 72 -3.992 -16.822 8.622 1.00 10.32 H new ATOM 0 HD12 ILE A 72 -3.867 -16.465 6.883 1.00 10.32 H new ATOM 0 HD13 ILE A 72 -3.500 -15.200 8.080 1.00 10.32 H new ATOM 1088 N LEU A 73 -4.575 -12.027 4.981 1.00 74.44 N ATOM 1089 CA LEU A 73 -4.682 -11.033 3.883 1.00 3.21 C ATOM 1090 C LEU A 73 -5.533 -11.557 2.697 1.00 52.11 C ATOM 1091 O LEU A 73 -5.275 -12.644 2.171 1.00 2.31 O ATOM 1092 CB LEU A 73 -3.261 -10.663 3.386 1.00 64.54 C ATOM 1093 CG LEU A 73 -2.312 -10.027 4.459 1.00 13.15 C ATOM 1094 CD1 LEU A 73 -0.881 -9.850 3.904 1.00 53.23 C ATOM 1095 CD2 LEU A 73 -2.884 -8.685 4.994 1.00 44.24 C ATOM 0 H LEU A 73 -3.771 -12.648 4.891 1.00 74.44 H new ATOM 0 HA LEU A 73 -5.186 -10.152 4.280 1.00 3.21 H new ATOM 0 HB2 LEU A 73 -2.786 -11.563 2.995 1.00 64.54 H new ATOM 0 HB3 LEU A 73 -3.357 -9.966 2.553 1.00 64.54 H new ATOM 0 HG LEU A 73 -2.255 -10.716 5.301 1.00 13.15 H new ATOM 0 HD11 LEU A 73 -0.246 -9.407 4.671 1.00 53.23 H new ATOM 0 HD12 LEU A 73 -0.479 -10.822 3.617 1.00 53.23 H new ATOM 0 HD13 LEU A 73 -0.907 -9.196 3.032 1.00 53.23 H new ATOM 0 HD21 LEU A 73 -2.203 -8.269 5.736 1.00 44.24 H new ATOM 0 HD22 LEU A 73 -2.994 -7.982 4.169 1.00 44.24 H new ATOM 0 HD23 LEU A 73 -3.857 -8.861 5.453 1.00 44.24 H new ATOM 1107 N GLU A 74 -6.548 -10.768 2.295 1.00 61.14 N ATOM 1108 CA GLU A 74 -7.339 -11.003 1.060 1.00 53.23 C ATOM 1109 C GLU A 74 -6.685 -10.341 -0.178 1.00 73.22 C ATOM 1110 O GLU A 74 -6.959 -10.744 -1.309 1.00 24.01 O ATOM 1111 CB GLU A 74 -8.807 -10.496 1.236 1.00 31.44 C ATOM 1112 CG GLU A 74 -9.691 -11.396 2.125 1.00 73.21 C ATOM 1113 CD GLU A 74 -9.869 -12.817 1.557 1.00 13.41 C ATOM 1114 OE1 GLU A 74 -10.607 -12.988 0.565 1.00 43.42 O ATOM 1115 OE2 GLU A 74 -9.261 -13.767 2.086 1.00 11.24 O ATOM 0 H GLU A 74 -6.848 -9.944 2.817 1.00 61.14 H new ATOM 0 HA GLU A 74 -7.357 -12.079 0.889 1.00 53.23 H new ATOM 0 HB2 GLU A 74 -8.783 -9.494 1.665 1.00 31.44 H new ATOM 0 HB3 GLU A 74 -9.269 -10.411 0.253 1.00 31.44 H new ATOM 0 HG2 GLU A 74 -9.249 -11.461 3.119 1.00 73.21 H new ATOM 0 HG3 GLU A 74 -10.670 -10.932 2.241 1.00 73.21 H new ATOM 1122 N ALA A 75 -5.846 -9.311 0.032 1.00 51.42 N ATOM 1123 CA ALA A 75 -5.078 -8.681 -1.070 1.00 60.15 C ATOM 1124 C ALA A 75 -3.760 -9.417 -1.340 1.00 43.01 C ATOM 1125 O ALA A 75 -3.242 -10.131 -0.478 1.00 43.51 O ATOM 1126 CB ALA A 75 -4.781 -7.214 -0.759 1.00 44.21 C ATOM 0 H ALA A 75 -5.679 -8.895 0.948 1.00 51.42 H new ATOM 0 HA ALA A 75 -5.700 -8.745 -1.963 1.00 60.15 H new ATOM 0 HB1 ALA A 75 -4.217 -6.775 -1.582 1.00 44.21 H new ATOM 0 HB2 ALA A 75 -5.718 -6.672 -0.631 1.00 44.21 H new ATOM 0 HB3 ALA A 75 -4.196 -7.148 0.158 1.00 44.21 H new ATOM 1132 N SER A 76 -3.230 -9.214 -2.552 1.00 30.22 N ATOM 1133 CA SER A 76 -1.873 -9.635 -2.921 1.00 43.32 C ATOM 1134 C SER A 76 -1.216 -8.516 -3.738 1.00 42.43 C ATOM 1135 O SER A 76 -1.754 -8.108 -4.772 1.00 34.14 O ATOM 1136 CB SER A 76 -1.925 -10.935 -3.762 1.00 21.13 C ATOM 1137 OG SER A 76 -0.626 -11.439 -4.019 1.00 51.31 O ATOM 0 H SER A 76 -3.733 -8.750 -3.309 1.00 30.22 H new ATOM 0 HA SER A 76 -1.293 -9.829 -2.019 1.00 43.32 H new ATOM 0 HB2 SER A 76 -2.511 -11.688 -3.234 1.00 21.13 H new ATOM 0 HB3 SER A 76 -2.434 -10.739 -4.706 1.00 21.13 H new ATOM 0 HG SER A 76 -0.142 -10.816 -4.600 1.00 51.31 H new ATOM 1143 N HIS A 77 -0.057 -8.013 -3.279 1.00 32.23 N ATOM 1144 CA HIS A 77 0.750 -7.024 -4.033 1.00 32.14 C ATOM 1145 C HIS A 77 2.035 -7.678 -4.613 1.00 34.01 C ATOM 1146 O HIS A 77 2.750 -7.067 -5.415 1.00 62.32 O ATOM 1147 CB HIS A 77 1.105 -5.834 -3.088 1.00 75.12 C ATOM 1148 CG HIS A 77 -0.086 -5.227 -2.353 1.00 75.24 C ATOM 1149 ND1 HIS A 77 -0.025 -4.941 -1.007 1.00 23.24 N ATOM 1150 CD2 HIS A 77 -1.323 -4.868 -2.813 1.00 31.11 C ATOM 1151 CE1 HIS A 77 -1.198 -4.425 -0.682 1.00 33.40 C ATOM 1152 NE2 HIS A 77 -2.013 -4.363 -1.738 1.00 2.42 N ATOM 0 H HIS A 77 0.349 -8.275 -2.381 1.00 32.23 H new ATOM 0 HA HIS A 77 0.169 -6.653 -4.877 1.00 32.14 H new ATOM 0 HB2 HIS A 77 1.833 -6.177 -2.352 1.00 75.12 H new ATOM 0 HB3 HIS A 77 1.589 -5.053 -3.675 1.00 75.12 H new ATOM 0 HD2 HIS A 77 -1.687 -4.963 -3.825 1.00 31.11 H new ATOM 0 HE1 HIS A 77 -1.463 -4.095 0.312 1.00 33.40 H new ATOM 0 HE2 HIS A 77 -2.969 -4.007 -1.745 1.00 2.42 H new ATOM 1160 N MET A 78 2.313 -8.934 -4.188 1.00 34.21 N ATOM 1161 CA MET A 78 3.508 -9.725 -4.606 1.00 13.14 C ATOM 1162 C MET A 78 3.108 -11.202 -4.882 1.00 2.01 C ATOM 1163 O MET A 78 1.927 -11.549 -4.837 1.00 14.41 O ATOM 1164 CB MET A 78 4.602 -9.667 -3.497 1.00 13.01 C ATOM 1165 CG MET A 78 5.067 -8.253 -3.104 1.00 44.33 C ATOM 1166 SD MET A 78 6.392 -8.261 -1.881 1.00 71.51 S ATOM 1167 CE MET A 78 5.603 -9.130 -0.532 1.00 44.35 C ATOM 0 H MET A 78 1.710 -9.437 -3.537 1.00 34.21 H new ATOM 0 HA MET A 78 3.909 -9.294 -5.523 1.00 13.14 H new ATOM 0 HB2 MET A 78 4.220 -10.166 -2.607 1.00 13.01 H new ATOM 0 HB3 MET A 78 5.468 -10.236 -3.835 1.00 13.01 H new ATOM 0 HG2 MET A 78 5.407 -7.727 -3.996 1.00 44.33 H new ATOM 0 HG3 MET A 78 4.219 -7.694 -2.709 1.00 44.33 H new ATOM 0 HE1 MET A 78 5.777 -8.591 0.399 1.00 44.35 H new ATOM 0 HE2 MET A 78 4.531 -9.195 -0.719 1.00 44.35 H new ATOM 0 HE3 MET A 78 6.019 -10.134 -0.453 1.00 44.35 H new ATOM 1177 N LYS A 79 4.098 -12.069 -5.186 1.00 12.10 N ATOM 1178 CA LYS A 79 3.866 -13.533 -5.331 1.00 32.05 C ATOM 1179 C LYS A 79 3.625 -14.198 -3.942 1.00 74.00 C ATOM 1180 O LYS A 79 4.368 -13.940 -2.982 1.00 32.43 O ATOM 1181 CB LYS A 79 5.062 -14.210 -6.063 1.00 13.33 C ATOM 1182 CG LYS A 79 6.411 -14.127 -5.314 1.00 54.31 C ATOM 1183 CD LYS A 79 7.581 -14.763 -6.093 1.00 42.21 C ATOM 1184 CE LYS A 79 8.896 -14.715 -5.296 1.00 20.13 C ATOM 1185 NZ LYS A 79 9.272 -13.329 -4.921 1.00 1.25 N ATOM 0 H LYS A 79 5.066 -11.786 -5.337 1.00 12.10 H new ATOM 0 HA LYS A 79 2.970 -13.675 -5.935 1.00 32.05 H new ATOM 0 HB2 LYS A 79 4.820 -15.259 -6.231 1.00 13.33 H new ATOM 0 HB3 LYS A 79 5.178 -13.748 -7.044 1.00 13.33 H new ATOM 0 HG2 LYS A 79 6.643 -13.081 -5.113 1.00 54.31 H new ATOM 0 HG3 LYS A 79 6.314 -14.623 -4.348 1.00 54.31 H new ATOM 0 HD2 LYS A 79 7.338 -15.799 -6.330 1.00 42.21 H new ATOM 0 HD3 LYS A 79 7.712 -14.241 -7.041 1.00 42.21 H new ATOM 0 HE2 LYS A 79 8.795 -15.319 -4.394 1.00 20.13 H new ATOM 0 HE3 LYS A 79 9.695 -15.159 -5.889 1.00 20.13 H new ATOM 0 HZ1 LYS A 79 10.232 -13.326 -4.522 1.00 1.25 H new ATOM 0 HZ2 LYS A 79 9.245 -12.722 -5.765 1.00 1.25 H new ATOM 0 HZ3 LYS A 79 8.602 -12.967 -4.213 1.00 1.25 H new ATOM 1199 N GLY A 80 2.561 -15.021 -3.844 1.00 74.02 N ATOM 1200 CA GLY A 80 2.203 -15.721 -2.592 1.00 61.23 C ATOM 1201 C GLY A 80 1.847 -14.789 -1.415 1.00 13.21 C ATOM 1202 O GLY A 80 1.890 -15.204 -0.257 1.00 63.14 O ATOM 0 H GLY A 80 1.931 -15.218 -4.622 1.00 74.02 H new ATOM 0 HA2 GLY A 80 1.355 -16.378 -2.788 1.00 61.23 H new ATOM 0 HA3 GLY A 80 3.037 -16.357 -2.295 1.00 61.23 H new ATOM 1206 N MET A 81 1.489 -13.531 -1.723 1.00 62.03 N ATOM 1207 CA MET A 81 1.222 -12.482 -0.709 1.00 24.42 C ATOM 1208 C MET A 81 -0.186 -12.669 -0.072 1.00 4.30 C ATOM 1209 O MET A 81 -0.348 -12.550 1.151 1.00 1.02 O ATOM 1210 CB MET A 81 1.400 -11.095 -1.392 1.00 72.42 C ATOM 1211 CG MET A 81 1.386 -9.861 -0.477 1.00 73.55 C ATOM 1212 SD MET A 81 -0.255 -9.446 0.142 1.00 51.03 S ATOM 1213 CE MET A 81 0.039 -7.831 0.862 1.00 70.30 C ATOM 0 H MET A 81 1.375 -13.206 -2.683 1.00 62.03 H new ATOM 0 HA MET A 81 1.929 -12.556 0.117 1.00 24.42 H new ATOM 0 HB2 MET A 81 2.345 -11.103 -1.935 1.00 72.42 H new ATOM 0 HB3 MET A 81 0.608 -10.977 -2.132 1.00 72.42 H new ATOM 0 HG2 MET A 81 2.051 -10.037 0.368 1.00 73.55 H new ATOM 0 HG3 MET A 81 1.786 -9.008 -1.024 1.00 73.55 H new ATOM 0 HE1 MET A 81 -0.911 -7.313 0.994 1.00 70.30 H new ATOM 0 HE2 MET A 81 0.526 -7.947 1.830 1.00 70.30 H new ATOM 0 HE3 MET A 81 0.681 -7.249 0.200 1.00 70.30 H new ATOM 1223 N LYS A 82 -1.199 -12.966 -0.918 1.00 22.03 N ATOM 1224 CA LYS A 82 -2.565 -13.325 -0.451 1.00 62.31 C ATOM 1225 C LYS A 82 -2.566 -14.662 0.330 1.00 44.51 C ATOM 1226 O LYS A 82 -1.932 -15.640 -0.091 1.00 43.22 O ATOM 1227 CB LYS A 82 -3.558 -13.421 -1.641 1.00 65.30 C ATOM 1228 CG LYS A 82 -5.021 -13.712 -1.228 1.00 55.51 C ATOM 1229 CD LYS A 82 -5.999 -13.736 -2.421 1.00 61.04 C ATOM 1230 CE LYS A 82 -7.457 -13.980 -1.983 1.00 62.23 C ATOM 1231 NZ LYS A 82 -8.392 -13.897 -3.128 1.00 22.41 N ATOM 0 H LYS A 82 -1.099 -12.965 -1.933 1.00 22.03 H new ATOM 0 HA LYS A 82 -2.889 -12.529 0.219 1.00 62.31 H new ATOM 0 HB2 LYS A 82 -3.530 -12.485 -2.199 1.00 65.30 H new ATOM 0 HB3 LYS A 82 -3.221 -14.206 -2.318 1.00 65.30 H new ATOM 0 HG2 LYS A 82 -5.062 -14.672 -0.714 1.00 55.51 H new ATOM 0 HG3 LYS A 82 -5.347 -12.955 -0.515 1.00 55.51 H new ATOM 0 HD2 LYS A 82 -5.937 -12.789 -2.957 1.00 61.04 H new ATOM 0 HD3 LYS A 82 -5.697 -14.517 -3.119 1.00 61.04 H new ATOM 0 HE2 LYS A 82 -7.538 -14.962 -1.517 1.00 62.23 H new ATOM 0 HE3 LYS A 82 -7.739 -13.245 -1.229 1.00 62.23 H new ATOM 0 HZ1 LYS A 82 -9.363 -14.066 -2.796 1.00 22.41 H new ATOM 0 HZ2 LYS A 82 -8.333 -12.951 -3.557 1.00 22.41 H new ATOM 0 HZ3 LYS A 82 -8.138 -14.615 -3.836 1.00 22.41 H new ATOM 1245 N GLY A 83 -3.269 -14.679 1.476 1.00 11.51 N ATOM 1246 CA GLY A 83 -3.401 -15.883 2.306 1.00 42.15 C ATOM 1247 C GLY A 83 -2.397 -15.922 3.456 1.00 32.22 C ATOM 1248 O GLY A 83 -2.543 -16.725 4.380 1.00 34.44 O ATOM 0 H GLY A 83 -3.757 -13.864 1.848 1.00 11.51 H new ATOM 0 HA2 GLY A 83 -4.412 -15.931 2.711 1.00 42.15 H new ATOM 0 HA3 GLY A 83 -3.266 -16.766 1.681 1.00 42.15 H new ATOM 1252 N ALA A 84 -1.378 -15.041 3.390 1.00 3.22 N ATOM 1253 CA ALA A 84 -0.282 -14.986 4.376 1.00 33.01 C ATOM 1254 C ALA A 84 -0.772 -14.535 5.771 1.00 15.13 C ATOM 1255 O ALA A 84 -1.658 -13.676 5.888 1.00 10.23 O ATOM 1256 CB ALA A 84 0.831 -14.057 3.866 1.00 43.22 C ATOM 0 H ALA A 84 -1.293 -14.346 2.648 1.00 3.22 H new ATOM 0 HA ALA A 84 0.113 -15.996 4.491 1.00 33.01 H new ATOM 0 HB1 ALA A 84 1.638 -14.020 4.598 1.00 43.22 H new ATOM 0 HB2 ALA A 84 1.217 -14.437 2.920 1.00 43.22 H new ATOM 0 HB3 ALA A 84 0.429 -13.055 3.718 1.00 43.22 H new ATOM 1262 N THR A 85 -0.180 -15.133 6.819 1.00 43.32 N ATOM 1263 CA THR A 85 -0.506 -14.816 8.224 1.00 50.13 C ATOM 1264 C THR A 85 0.178 -13.494 8.638 1.00 42.11 C ATOM 1265 O THR A 85 1.391 -13.457 8.862 1.00 43.24 O ATOM 1266 CB THR A 85 -0.067 -15.972 9.189 1.00 52.44 C ATOM 1267 OG1 THR A 85 -0.649 -17.210 8.751 1.00 1.43 O ATOM 1268 CG2 THR A 85 -0.487 -15.714 10.652 1.00 61.43 C ATOM 0 H THR A 85 0.538 -15.850 6.718 1.00 43.32 H new ATOM 0 HA THR A 85 -1.588 -14.706 8.302 1.00 50.13 H new ATOM 0 HB THR A 85 1.021 -16.020 9.158 1.00 52.44 H new ATOM 0 HG1 THR A 85 -0.373 -17.932 9.353 1.00 1.43 H new ATOM 0 HG21 THR A 85 -0.158 -16.545 11.277 1.00 61.43 H new ATOM 0 HG22 THR A 85 -0.028 -14.791 11.005 1.00 61.43 H new ATOM 0 HG23 THR A 85 -1.572 -15.624 10.709 1.00 61.43 H new ATOM 1276 N ALA A 86 -0.625 -12.426 8.748 1.00 44.43 N ATOM 1277 CA ALA A 86 -0.147 -11.047 8.967 1.00 35.11 C ATOM 1278 C ALA A 86 -0.361 -10.618 10.421 1.00 22.24 C ATOM 1279 O ALA A 86 -1.276 -11.085 11.080 1.00 25.23 O ATOM 1280 CB ALA A 86 -0.869 -10.084 8.009 1.00 40.10 C ATOM 0 H ALA A 86 -1.641 -12.494 8.687 1.00 44.43 H new ATOM 0 HA ALA A 86 0.923 -11.015 8.762 1.00 35.11 H new ATOM 0 HB1 ALA A 86 -0.511 -9.068 8.176 1.00 40.10 H new ATOM 0 HB2 ALA A 86 -0.665 -10.375 6.979 1.00 40.10 H new ATOM 0 HB3 ALA A 86 -1.943 -10.125 8.192 1.00 40.10 H new ATOM 1286 N GLU A 87 0.506 -9.738 10.916 1.00 34.15 N ATOM 1287 CA GLU A 87 0.366 -9.135 12.254 1.00 65.14 C ATOM 1288 C GLU A 87 0.492 -7.607 12.139 1.00 63.42 C ATOM 1289 O GLU A 87 1.444 -7.110 11.528 1.00 65.33 O ATOM 1290 CB GLU A 87 1.445 -9.702 13.217 1.00 4.04 C ATOM 1291 CG GLU A 87 1.277 -9.271 14.688 1.00 75.55 C ATOM 1292 CD GLU A 87 2.422 -9.767 15.586 1.00 53.41 C ATOM 1293 OE1 GLU A 87 2.405 -10.951 15.989 1.00 13.53 O ATOM 1294 OE2 GLU A 87 3.349 -8.982 15.879 1.00 64.53 O ATOM 0 H GLU A 87 1.329 -9.418 10.406 1.00 34.15 H new ATOM 0 HA GLU A 87 -0.614 -9.382 12.662 1.00 65.14 H new ATOM 0 HB2 GLU A 87 1.424 -10.791 13.166 1.00 4.04 H new ATOM 0 HB3 GLU A 87 2.428 -9.385 12.868 1.00 4.04 H new ATOM 0 HG2 GLU A 87 1.225 -8.183 14.740 1.00 75.55 H new ATOM 0 HG3 GLU A 87 0.330 -9.654 15.069 1.00 75.55 H new ATOM 1301 N ILE A 88 -0.478 -6.874 12.713 1.00 4.32 N ATOM 1302 CA ILE A 88 -0.476 -5.399 12.709 1.00 42.54 C ATOM 1303 C ILE A 88 0.731 -4.868 13.524 1.00 63.20 C ATOM 1304 O ILE A 88 0.766 -4.975 14.746 1.00 74.43 O ATOM 1305 CB ILE A 88 -1.824 -4.807 13.288 1.00 50.52 C ATOM 1306 CG1 ILE A 88 -3.077 -5.422 12.574 1.00 71.20 C ATOM 1307 CG2 ILE A 88 -1.846 -3.254 13.193 1.00 70.12 C ATOM 1308 CD1 ILE A 88 -3.178 -5.147 11.082 1.00 50.45 C ATOM 0 H ILE A 88 -1.281 -7.283 13.190 1.00 4.32 H new ATOM 0 HA ILE A 88 -0.389 -5.071 11.673 1.00 42.54 H new ATOM 0 HB ILE A 88 -1.870 -5.083 14.341 1.00 50.52 H new ATOM 0 HG12 ILE A 88 -3.068 -6.501 12.728 1.00 71.20 H new ATOM 0 HG13 ILE A 88 -3.975 -5.038 13.059 1.00 71.20 H new ATOM 0 HG21 ILE A 88 -2.785 -2.878 13.599 1.00 70.12 H new ATOM 0 HG22 ILE A 88 -1.013 -2.843 13.764 1.00 70.12 H new ATOM 0 HG23 ILE A 88 -1.755 -2.952 12.150 1.00 70.12 H new ATOM 0 HD11 ILE A 88 -4.079 -5.616 10.686 1.00 50.45 H new ATOM 0 HD12 ILE A 88 -3.224 -4.071 10.913 1.00 50.45 H new ATOM 0 HD13 ILE A 88 -2.304 -5.557 10.576 1.00 50.45 H new ATOM 1320 N ASP A 89 1.735 -4.352 12.819 1.00 50.31 N ATOM 1321 CA ASP A 89 2.918 -3.714 13.420 1.00 1.23 C ATOM 1322 C ASP A 89 2.555 -2.290 13.924 1.00 33.13 C ATOM 1323 O ASP A 89 3.027 -1.847 14.978 1.00 4.34 O ATOM 1324 CB ASP A 89 4.047 -3.675 12.354 1.00 24.51 C ATOM 1325 CG ASP A 89 5.310 -2.944 12.823 1.00 71.10 C ATOM 1326 OD1 ASP A 89 6.128 -3.543 13.556 1.00 65.22 O ATOM 1327 OD2 ASP A 89 5.491 -1.763 12.462 1.00 12.52 O ATOM 0 H ASP A 89 1.756 -4.362 11.799 1.00 50.31 H new ATOM 0 HA ASP A 89 3.265 -4.283 14.282 1.00 1.23 H new ATOM 0 HB2 ASP A 89 4.310 -4.696 12.078 1.00 24.51 H new ATOM 0 HB3 ASP A 89 3.669 -3.189 11.455 1.00 24.51 H new ATOM 1332 N SER A 90 1.676 -1.605 13.165 1.00 43.11 N ATOM 1333 CA SER A 90 1.237 -0.219 13.463 1.00 23.10 C ATOM 1334 C SER A 90 -0.114 0.084 12.771 1.00 1.24 C ATOM 1335 O SER A 90 -0.398 -0.447 11.691 1.00 13.43 O ATOM 1336 CB SER A 90 2.309 0.805 13.011 1.00 33.42 C ATOM 1337 OG SER A 90 1.887 2.146 13.226 1.00 41.54 O ATOM 0 H SER A 90 1.247 -1.995 12.325 1.00 43.11 H new ATOM 0 HA SER A 90 1.105 -0.130 14.541 1.00 23.10 H new ATOM 0 HB2 SER A 90 3.236 0.624 13.556 1.00 33.42 H new ATOM 0 HB3 SER A 90 2.527 0.659 11.953 1.00 33.42 H new ATOM 0 HG SER A 90 2.590 2.762 12.930 1.00 41.54 H new ATOM 1343 N ALA A 91 -0.946 0.933 13.407 1.00 3.15 N ATOM 1344 CA ALA A 91 -2.249 1.374 12.849 1.00 13.02 C ATOM 1345 C ALA A 91 -2.240 2.902 12.588 1.00 61.23 C ATOM 1346 O ALA A 91 -1.821 3.688 13.445 1.00 21.25 O ATOM 1347 CB ALA A 91 -3.394 0.974 13.799 1.00 72.10 C ATOM 0 H ALA A 91 -0.738 1.334 14.321 1.00 3.15 H new ATOM 0 HA ALA A 91 -2.412 0.876 11.893 1.00 13.02 H new ATOM 0 HB1 ALA A 91 -4.345 1.302 13.380 1.00 72.10 H new ATOM 0 HB2 ALA A 91 -3.405 -0.109 13.920 1.00 72.10 H new ATOM 0 HB3 ALA A 91 -3.243 1.446 14.770 1.00 72.10 H new ATOM 1353 N GLU A 92 -2.712 3.308 11.398 1.00 2.02 N ATOM 1354 CA GLU A 92 -2.666 4.715 10.930 1.00 65.42 C ATOM 1355 C GLU A 92 -3.912 5.062 10.084 1.00 73.52 C ATOM 1356 O GLU A 92 -4.165 4.416 9.081 1.00 23.40 O ATOM 1357 CB GLU A 92 -1.369 4.935 10.083 1.00 55.50 C ATOM 1358 CG GLU A 92 -1.282 6.277 9.300 1.00 22.13 C ATOM 1359 CD GLU A 92 -1.182 7.546 10.175 1.00 65.31 C ATOM 1360 OE1 GLU A 92 -2.197 7.963 10.776 1.00 23.32 O ATOM 1361 OE2 GLU A 92 -0.087 8.144 10.257 1.00 54.43 O ATOM 0 H GLU A 92 -3.140 2.671 10.726 1.00 2.02 H new ATOM 0 HA GLU A 92 -2.657 5.371 11.800 1.00 65.42 H new ATOM 0 HB2 GLU A 92 -0.509 4.870 10.749 1.00 55.50 H new ATOM 0 HB3 GLU A 92 -1.282 4.115 9.370 1.00 55.50 H new ATOM 0 HG2 GLU A 92 -0.413 6.239 8.643 1.00 22.13 H new ATOM 0 HG3 GLU A 92 -2.161 6.364 8.662 1.00 22.13 H new ATOM 1368 N LYS A 93 -4.668 6.107 10.474 1.00 33.54 N ATOM 1369 CA LYS A 93 -5.827 6.593 9.680 1.00 54.50 C ATOM 1370 C LYS A 93 -5.350 7.690 8.702 1.00 43.31 C ATOM 1371 O LYS A 93 -5.197 8.856 9.083 1.00 52.41 O ATOM 1372 CB LYS A 93 -6.985 7.125 10.584 1.00 31.23 C ATOM 1373 CG LYS A 93 -7.640 6.068 11.516 1.00 3.24 C ATOM 1374 CD LYS A 93 -6.796 5.689 12.772 1.00 43.41 C ATOM 1375 CE LYS A 93 -6.822 6.763 13.885 1.00 63.01 C ATOM 1376 NZ LYS A 93 -6.171 8.041 13.496 1.00 0.24 N ATOM 0 H LYS A 93 -4.502 6.634 11.332 1.00 33.54 H new ATOM 0 HA LYS A 93 -6.232 5.750 9.121 1.00 54.50 H new ATOM 0 HB2 LYS A 93 -6.599 7.938 11.199 1.00 31.23 H new ATOM 0 HB3 LYS A 93 -7.758 7.549 9.943 1.00 31.23 H new ATOM 0 HG2 LYS A 93 -8.608 6.446 11.847 1.00 3.24 H new ATOM 0 HG3 LYS A 93 -7.831 5.164 10.938 1.00 3.24 H new ATOM 0 HD2 LYS A 93 -7.168 4.748 13.178 1.00 43.41 H new ATOM 0 HD3 LYS A 93 -5.763 5.519 12.467 1.00 43.41 H new ATOM 0 HE2 LYS A 93 -7.857 6.962 14.162 1.00 63.01 H new ATOM 0 HE3 LYS A 93 -6.326 6.367 14.771 1.00 63.01 H new ATOM 0 HZ1 LYS A 93 -5.711 8.463 14.327 1.00 0.24 H new ATOM 0 HZ2 LYS A 93 -5.458 7.858 12.761 1.00 0.24 H new ATOM 0 HZ3 LYS A 93 -6.888 8.698 13.127 1.00 0.24 H new ATOM 1390 N THR A 94 -5.091 7.293 7.452 1.00 33.22 N ATOM 1391 CA THR A 94 -4.490 8.168 6.418 1.00 13.52 C ATOM 1392 C THR A 94 -5.223 8.020 5.072 1.00 53.22 C ATOM 1393 O THR A 94 -5.819 6.974 4.784 1.00 31.50 O ATOM 1394 CB THR A 94 -2.970 7.847 6.218 1.00 71.53 C ATOM 1395 OG1 THR A 94 -2.414 8.673 5.176 1.00 13.40 O ATOM 1396 CG2 THR A 94 -2.724 6.363 5.885 1.00 15.14 C ATOM 0 H THR A 94 -5.291 6.350 7.118 1.00 33.22 H new ATOM 0 HA THR A 94 -4.592 9.195 6.768 1.00 13.52 H new ATOM 0 HB THR A 94 -2.474 8.063 7.164 1.00 71.53 H new ATOM 0 HG1 THR A 94 -1.464 8.462 5.064 1.00 13.40 H new ATOM 0 HG21 THR A 94 -1.655 6.191 5.756 1.00 15.14 H new ATOM 0 HG22 THR A 94 -3.096 5.741 6.699 1.00 15.14 H new ATOM 0 HG23 THR A 94 -3.247 6.105 4.964 1.00 15.14 H new ATOM 1404 N THR A 95 -5.159 9.065 4.235 1.00 72.32 N ATOM 1405 CA THR A 95 -5.734 9.022 2.884 1.00 23.10 C ATOM 1406 C THR A 95 -4.730 8.322 1.943 1.00 72.23 C ATOM 1407 O THR A 95 -3.597 8.783 1.777 1.00 75.32 O ATOM 1408 CB THR A 95 -6.088 10.444 2.326 1.00 52.53 C ATOM 1409 OG1 THR A 95 -6.928 11.139 3.262 1.00 22.05 O ATOM 1410 CG2 THR A 95 -6.810 10.367 0.960 1.00 72.11 C ATOM 0 H THR A 95 -4.714 9.952 4.471 1.00 72.32 H new ATOM 0 HA THR A 95 -6.671 8.468 2.936 1.00 23.10 H new ATOM 0 HB THR A 95 -5.150 10.981 2.185 1.00 52.53 H new ATOM 0 HG1 THR A 95 -7.145 12.027 2.910 1.00 22.05 H new ATOM 0 HG21 THR A 95 -7.036 11.374 0.611 1.00 72.11 H new ATOM 0 HG22 THR A 95 -6.166 9.868 0.236 1.00 72.11 H new ATOM 0 HG23 THR A 95 -7.737 9.804 1.070 1.00 72.11 H new ATOM 1418 N VAL A 96 -5.167 7.216 1.326 1.00 41.14 N ATOM 1419 CA VAL A 96 -4.334 6.385 0.448 1.00 42.03 C ATOM 1420 C VAL A 96 -4.828 6.539 -1.003 1.00 23.31 C ATOM 1421 O VAL A 96 -6.027 6.470 -1.290 1.00 74.11 O ATOM 1422 CB VAL A 96 -4.327 4.872 0.894 1.00 5.35 C ATOM 1423 CG1 VAL A 96 -3.506 4.678 2.196 1.00 33.25 C ATOM 1424 CG2 VAL A 96 -5.768 4.315 1.060 1.00 1.55 C ATOM 0 H VAL A 96 -6.121 6.869 1.424 1.00 41.14 H new ATOM 0 HA VAL A 96 -3.302 6.728 0.519 1.00 42.03 H new ATOM 0 HB VAL A 96 -3.845 4.302 0.100 1.00 5.35 H new ATOM 0 HG11 VAL A 96 -3.518 3.626 2.480 1.00 33.25 H new ATOM 0 HG12 VAL A 96 -2.477 4.997 2.028 1.00 33.25 H new ATOM 0 HG13 VAL A 96 -3.945 5.275 2.995 1.00 33.25 H new ATOM 0 HG21 VAL A 96 -5.721 3.270 1.368 1.00 1.55 H new ATOM 0 HG22 VAL A 96 -6.297 4.893 1.818 1.00 1.55 H new ATOM 0 HG23 VAL A 96 -6.299 4.390 0.111 1.00 1.55 H new ATOM 1434 N TYR A 97 -3.883 6.745 -1.911 1.00 34.13 N ATOM 1435 CA TYR A 97 -4.143 7.173 -3.286 1.00 23.24 C ATOM 1436 C TYR A 97 -3.827 6.060 -4.290 1.00 64.44 C ATOM 1437 O TYR A 97 -2.908 5.253 -4.099 1.00 75.03 O ATOM 1438 CB TYR A 97 -3.287 8.429 -3.616 1.00 51.22 C ATOM 1439 CG TYR A 97 -3.553 9.627 -2.686 1.00 13.04 C ATOM 1440 CD1 TYR A 97 -4.583 10.532 -2.955 1.00 2.40 C ATOM 1441 CD2 TYR A 97 -2.779 9.850 -1.538 1.00 13.35 C ATOM 1442 CE1 TYR A 97 -4.832 11.599 -2.119 1.00 5.32 C ATOM 1443 CE2 TYR A 97 -3.035 10.918 -0.701 1.00 21.54 C ATOM 1444 CZ TYR A 97 -4.056 11.789 -1.000 1.00 40.55 C ATOM 1445 OH TYR A 97 -4.314 12.854 -0.168 1.00 71.34 O ATOM 0 H TYR A 97 -2.891 6.617 -1.711 1.00 34.13 H new ATOM 0 HA TYR A 97 -5.203 7.413 -3.368 1.00 23.24 H new ATOM 0 HB2 TYR A 97 -2.232 8.163 -3.557 1.00 51.22 H new ATOM 0 HB3 TYR A 97 -3.483 8.730 -4.645 1.00 51.22 H new ATOM 0 HD1 TYR A 97 -5.195 10.393 -3.834 1.00 2.40 H new ATOM 0 HD2 TYR A 97 -1.969 9.175 -1.305 1.00 13.35 H new ATOM 0 HE1 TYR A 97 -5.636 12.285 -2.343 1.00 5.32 H new ATOM 0 HE2 TYR A 97 -2.436 11.069 0.185 1.00 21.54 H new ATOM 0 HH TYR A 97 -3.533 13.023 0.399 1.00 71.34 H new ATOM 1455 N MET A 98 -4.631 6.027 -5.346 1.00 13.04 N ATOM 1456 CA MET A 98 -4.357 5.262 -6.557 1.00 3.22 C ATOM 1457 C MET A 98 -3.619 6.204 -7.540 1.00 30.52 C ATOM 1458 O MET A 98 -4.142 7.270 -7.862 1.00 60.34 O ATOM 1459 CB MET A 98 -5.699 4.784 -7.167 1.00 41.41 C ATOM 1460 CG MET A 98 -5.569 3.783 -8.318 1.00 3.14 C ATOM 1461 SD MET A 98 -7.029 3.734 -9.394 1.00 4.45 S ATOM 1462 CE MET A 98 -8.390 3.713 -8.231 1.00 13.10 C ATOM 0 H MET A 98 -5.510 6.542 -5.385 1.00 13.04 H new ATOM 0 HA MET A 98 -3.744 4.386 -6.347 1.00 3.22 H new ATOM 0 HB2 MET A 98 -6.298 4.330 -6.377 1.00 41.41 H new ATOM 0 HB3 MET A 98 -6.249 5.655 -7.524 1.00 41.41 H new ATOM 0 HG2 MET A 98 -4.694 4.039 -8.916 1.00 3.14 H new ATOM 0 HG3 MET A 98 -5.395 2.788 -7.908 1.00 3.14 H new ATOM 0 HE1 MET A 98 -9.243 3.204 -8.679 1.00 13.10 H new ATOM 0 HE2 MET A 98 -8.087 3.186 -7.326 1.00 13.10 H new ATOM 0 HE3 MET A 98 -8.669 4.736 -7.979 1.00 13.10 H new ATOM 1472 N VAL A 99 -2.393 5.843 -7.962 1.00 23.41 N ATOM 1473 CA VAL A 99 -1.556 6.674 -8.867 1.00 15.52 C ATOM 1474 C VAL A 99 -1.145 5.900 -10.142 1.00 70.54 C ATOM 1475 O VAL A 99 -1.032 4.676 -10.139 1.00 72.25 O ATOM 1476 CB VAL A 99 -0.259 7.212 -8.133 1.00 61.20 C ATOM 1477 CG1 VAL A 99 -0.619 8.271 -7.052 1.00 55.43 C ATOM 1478 CG2 VAL A 99 0.578 6.043 -7.525 1.00 73.14 C ATOM 0 H VAL A 99 -1.948 4.967 -7.688 1.00 23.41 H new ATOM 0 HA VAL A 99 -2.172 7.524 -9.160 1.00 15.52 H new ATOM 0 HB VAL A 99 0.361 7.704 -8.883 1.00 61.20 H new ATOM 0 HG11 VAL A 99 0.293 8.620 -6.567 1.00 55.43 H new ATOM 0 HG12 VAL A 99 -1.125 9.114 -7.523 1.00 55.43 H new ATOM 0 HG13 VAL A 99 -1.277 7.822 -6.308 1.00 55.43 H new ATOM 0 HG21 VAL A 99 1.461 6.447 -7.029 1.00 73.14 H new ATOM 0 HG22 VAL A 99 -0.029 5.500 -6.801 1.00 73.14 H new ATOM 0 HG23 VAL A 99 0.887 5.365 -8.320 1.00 73.14 H new ATOM 1488 N ASP A 100 -0.925 6.647 -11.228 1.00 62.05 N ATOM 1489 CA ASP A 100 -0.425 6.121 -12.510 1.00 3.42 C ATOM 1490 C ASP A 100 0.943 6.778 -12.826 1.00 44.42 C ATOM 1491 O ASP A 100 0.995 7.979 -13.095 1.00 3.33 O ATOM 1492 CB ASP A 100 -1.490 6.442 -13.603 1.00 12.22 C ATOM 1493 CG ASP A 100 -0.959 6.312 -15.037 1.00 65.50 C ATOM 1494 OD1 ASP A 100 -0.594 5.200 -15.441 1.00 43.24 O ATOM 1495 OD2 ASP A 100 -0.881 7.332 -15.759 1.00 63.01 O ATOM 0 H ASP A 100 -1.091 7.653 -11.245 1.00 62.05 H new ATOM 0 HA ASP A 100 -0.272 5.042 -12.472 1.00 3.42 H new ATOM 0 HB2 ASP A 100 -2.340 5.772 -13.477 1.00 12.22 H new ATOM 0 HB3 ASP A 100 -1.859 7.457 -13.452 1.00 12.22 H new ATOM 1500 N TYR A 101 2.034 5.978 -12.845 1.00 72.13 N ATOM 1501 CA TYR A 101 3.418 6.498 -13.025 1.00 23.12 C ATOM 1502 C TYR A 101 4.182 5.751 -14.142 1.00 63.23 C ATOM 1503 O TYR A 101 3.723 4.735 -14.667 1.00 22.31 O ATOM 1504 CB TYR A 101 4.216 6.438 -11.679 1.00 75.41 C ATOM 1505 CG TYR A 101 4.637 5.028 -11.197 1.00 21.11 C ATOM 1506 CD1 TYR A 101 3.796 4.241 -10.406 1.00 31.03 C ATOM 1507 CD2 TYR A 101 5.891 4.491 -11.531 1.00 4.23 C ATOM 1508 CE1 TYR A 101 4.189 2.985 -9.976 1.00 12.23 C ATOM 1509 CE2 TYR A 101 6.279 3.235 -11.103 1.00 1.22 C ATOM 1510 CZ TYR A 101 5.425 2.487 -10.327 1.00 61.34 C ATOM 1511 OH TYR A 101 5.810 1.234 -9.893 1.00 62.54 O ATOM 0 H TYR A 101 1.986 4.965 -12.738 1.00 72.13 H new ATOM 0 HA TYR A 101 3.329 7.540 -13.333 1.00 23.12 H new ATOM 0 HB2 TYR A 101 5.114 7.046 -11.786 1.00 75.41 H new ATOM 0 HB3 TYR A 101 3.609 6.900 -10.900 1.00 75.41 H new ATOM 0 HD1 TYR A 101 2.824 4.619 -10.126 1.00 31.03 H new ATOM 0 HD2 TYR A 101 6.569 5.074 -12.137 1.00 4.23 H new ATOM 0 HE1 TYR A 101 3.525 2.394 -9.363 1.00 12.23 H new ATOM 0 HE2 TYR A 101 7.248 2.843 -11.377 1.00 1.22 H new ATOM 0 HH TYR A 101 6.708 1.033 -10.229 1.00 62.54 H new ATOM 1521 N THR A 102 5.360 6.285 -14.503 1.00 24.41 N ATOM 1522 CA THR A 102 6.320 5.610 -15.412 1.00 55.33 C ATOM 1523 C THR A 102 7.604 5.261 -14.622 1.00 14.12 C ATOM 1524 O THR A 102 8.185 6.134 -13.966 1.00 55.12 O ATOM 1525 CB THR A 102 6.672 6.505 -16.651 1.00 45.53 C ATOM 1526 OG1 THR A 102 5.467 6.849 -17.361 1.00 30.33 O ATOM 1527 CG2 THR A 102 7.650 5.803 -17.621 1.00 55.01 C ATOM 0 H THR A 102 5.680 7.197 -14.177 1.00 24.41 H new ATOM 0 HA THR A 102 5.856 4.699 -15.791 1.00 55.33 H new ATOM 0 HB THR A 102 7.161 7.403 -16.274 1.00 45.53 H new ATOM 0 HG1 THR A 102 5.691 7.409 -18.133 1.00 30.33 H new ATOM 0 HG21 THR A 102 7.863 6.462 -18.463 1.00 55.01 H new ATOM 0 HG22 THR A 102 8.577 5.571 -17.098 1.00 55.01 H new ATOM 0 HG23 THR A 102 7.199 4.881 -17.988 1.00 55.01 H new ATOM 1535 N SER A 103 8.021 3.979 -14.693 1.00 21.12 N ATOM 1536 CA SER A 103 9.176 3.440 -13.934 1.00 73.54 C ATOM 1537 C SER A 103 10.517 4.084 -14.358 1.00 12.22 C ATOM 1538 O SER A 103 10.874 4.077 -15.537 1.00 15.35 O ATOM 1539 CB SER A 103 9.267 1.903 -14.094 1.00 60.05 C ATOM 1540 OG SER A 103 10.435 1.370 -13.476 1.00 64.54 O ATOM 0 H SER A 103 7.565 3.282 -15.282 1.00 21.12 H new ATOM 0 HA SER A 103 9.003 3.691 -12.888 1.00 73.54 H new ATOM 0 HB2 SER A 103 8.382 1.440 -13.657 1.00 60.05 H new ATOM 0 HB3 SER A 103 9.269 1.648 -15.154 1.00 60.05 H new ATOM 0 HG SER A 103 10.675 0.523 -13.906 1.00 64.54 H new ATOM 1546 N THR A 104 11.244 4.630 -13.372 1.00 3.52 N ATOM 1547 CA THR A 104 12.581 5.233 -13.568 1.00 33.02 C ATOM 1548 C THR A 104 13.674 4.169 -13.856 1.00 33.14 C ATOM 1549 O THR A 104 14.585 4.410 -14.657 1.00 12.13 O ATOM 1550 CB THR A 104 12.994 6.087 -12.316 1.00 5.01 C ATOM 1551 OG1 THR A 104 12.983 5.267 -11.128 1.00 53.33 O ATOM 1552 CG2 THR A 104 12.047 7.290 -12.116 1.00 54.52 C ATOM 0 H THR A 104 10.922 4.668 -12.405 1.00 3.52 H new ATOM 0 HA THR A 104 12.506 5.879 -14.443 1.00 33.02 H new ATOM 0 HB THR A 104 14.001 6.466 -12.493 1.00 5.01 H new ATOM 0 HG1 THR A 104 13.243 5.809 -10.354 1.00 53.33 H new ATOM 0 HG21 THR A 104 12.362 7.859 -11.241 1.00 54.52 H new ATOM 0 HG22 THR A 104 12.081 7.930 -12.997 1.00 54.52 H new ATOM 0 HG23 THR A 104 11.029 6.931 -11.968 1.00 54.52 H new ATOM 1560 N THR A 105 13.572 2.993 -13.201 1.00 70.22 N ATOM 1561 CA THR A 105 14.599 1.921 -13.305 1.00 35.02 C ATOM 1562 C THR A 105 14.460 1.072 -14.600 1.00 13.32 C ATOM 1563 O THR A 105 15.464 0.730 -15.228 1.00 61.45 O ATOM 1564 CB THR A 105 14.585 0.976 -12.046 1.00 4.30 C ATOM 1565 OG1 THR A 105 15.658 0.019 -12.132 1.00 10.34 O ATOM 1566 CG2 THR A 105 13.247 0.227 -11.880 1.00 65.11 C ATOM 0 H THR A 105 12.789 2.756 -12.592 1.00 70.22 H new ATOM 0 HA THR A 105 15.557 2.439 -13.350 1.00 35.02 H new ATOM 0 HB THR A 105 14.717 1.615 -11.173 1.00 4.30 H new ATOM 0 HG1 THR A 105 15.641 -0.563 -11.344 1.00 10.34 H new ATOM 0 HG21 THR A 105 13.294 -0.410 -10.997 1.00 65.11 H new ATOM 0 HG22 THR A 105 12.438 0.948 -11.765 1.00 65.11 H new ATOM 0 HG23 THR A 105 13.062 -0.388 -12.761 1.00 65.11 H new ATOM 1574 N SER A 106 13.215 0.751 -15.005 1.00 22.33 N ATOM 1575 CA SER A 106 12.946 -0.197 -16.128 1.00 14.54 C ATOM 1576 C SER A 106 12.291 0.500 -17.340 1.00 42.03 C ATOM 1577 O SER A 106 12.408 0.018 -18.475 1.00 1.25 O ATOM 1578 CB SER A 106 12.051 -1.356 -15.632 1.00 73.34 C ATOM 1579 OG SER A 106 10.795 -0.888 -15.176 1.00 14.12 O ATOM 0 H SER A 106 12.371 1.131 -14.576 1.00 22.33 H new ATOM 0 HA SER A 106 13.906 -0.589 -16.463 1.00 14.54 H new ATOM 0 HB2 SER A 106 11.901 -2.072 -16.440 1.00 73.34 H new ATOM 0 HB3 SER A 106 12.557 -1.887 -14.825 1.00 73.34 H new ATOM 0 HG SER A 106 10.265 -1.643 -14.844 1.00 14.12 H new ATOM 1585 N GLY A 107 11.597 1.629 -17.095 1.00 54.12 N ATOM 1586 CA GLY A 107 10.889 2.368 -18.160 1.00 34.14 C ATOM 1587 C GLY A 107 9.467 1.855 -18.433 1.00 55.20 C ATOM 1588 O GLY A 107 8.826 2.299 -19.390 1.00 53.01 O ATOM 0 H GLY A 107 11.511 2.049 -16.170 1.00 54.12 H new ATOM 0 HA2 GLY A 107 10.838 3.422 -17.886 1.00 34.14 H new ATOM 0 HA3 GLY A 107 11.470 2.306 -19.080 1.00 34.14 H new ATOM 1592 N GLU A 108 8.972 0.920 -17.589 1.00 24.34 N ATOM 1593 CA GLU A 108 7.630 0.315 -17.768 1.00 3.14 C ATOM 1594 C GLU A 108 6.508 1.266 -17.259 1.00 33.04 C ATOM 1595 O GLU A 108 6.606 1.846 -16.172 1.00 2.14 O ATOM 1596 CB GLU A 108 7.548 -1.080 -17.076 1.00 44.00 C ATOM 1597 CG GLU A 108 7.581 -1.059 -15.535 1.00 33.03 C ATOM 1598 CD GLU A 108 7.525 -2.459 -14.902 1.00 64.22 C ATOM 1599 OE1 GLU A 108 6.456 -3.108 -14.969 1.00 74.43 O ATOM 1600 OE2 GLU A 108 8.548 -2.922 -14.347 1.00 13.43 O ATOM 0 H GLU A 108 9.481 0.568 -16.778 1.00 24.34 H new ATOM 0 HA GLU A 108 7.472 0.166 -18.836 1.00 3.14 H new ATOM 0 HB2 GLU A 108 6.629 -1.571 -17.396 1.00 44.00 H new ATOM 0 HB3 GLU A 108 8.377 -1.692 -17.432 1.00 44.00 H new ATOM 0 HG2 GLU A 108 8.490 -0.556 -15.206 1.00 33.03 H new ATOM 0 HG3 GLU A 108 6.740 -0.470 -15.169 1.00 33.03 H new ATOM 1607 N LYS A 109 5.453 1.431 -18.072 1.00 3.43 N ATOM 1608 CA LYS A 109 4.314 2.324 -17.754 1.00 34.42 C ATOM 1609 C LYS A 109 3.315 1.570 -16.830 1.00 42.55 C ATOM 1610 O LYS A 109 2.639 0.629 -17.262 1.00 50.14 O ATOM 1611 CB LYS A 109 3.659 2.808 -19.091 1.00 61.51 C ATOM 1612 CG LYS A 109 2.732 4.056 -19.009 1.00 72.21 C ATOM 1613 CD LYS A 109 1.319 3.771 -18.446 1.00 24.03 C ATOM 1614 CE LYS A 109 0.397 4.998 -18.532 1.00 25.33 C ATOM 1615 NZ LYS A 109 0.912 6.142 -17.736 1.00 71.32 N ATOM 0 H LYS A 109 5.360 0.953 -18.968 1.00 3.43 H new ATOM 0 HA LYS A 109 4.646 3.210 -17.213 1.00 34.42 H new ATOM 0 HB2 LYS A 109 4.457 3.024 -19.801 1.00 61.51 H new ATOM 0 HB3 LYS A 109 3.080 1.982 -19.504 1.00 61.51 H new ATOM 0 HG2 LYS A 109 3.213 4.809 -18.385 1.00 72.21 H new ATOM 0 HG3 LYS A 109 2.632 4.485 -20.006 1.00 72.21 H new ATOM 0 HD2 LYS A 109 0.871 2.944 -18.997 1.00 24.03 H new ATOM 0 HD3 LYS A 109 1.402 3.454 -17.406 1.00 24.03 H new ATOM 0 HE2 LYS A 109 0.293 5.300 -19.574 1.00 25.33 H new ATOM 0 HE3 LYS A 109 -0.598 4.729 -18.177 1.00 25.33 H new ATOM 0 HZ1 LYS A 109 0.118 6.626 -17.270 1.00 71.32 H new ATOM 0 HZ2 LYS A 109 1.576 5.793 -17.015 1.00 71.32 H new ATOM 0 HZ3 LYS A 109 1.403 6.809 -18.365 1.00 71.32 H new ATOM 1629 N VAL A 110 3.248 1.994 -15.555 1.00 0.23 N ATOM 1630 CA VAL A 110 2.424 1.342 -14.506 1.00 33.22 C ATOM 1631 C VAL A 110 1.175 2.199 -14.179 1.00 42.25 C ATOM 1632 O VAL A 110 1.306 3.379 -13.852 1.00 55.54 O ATOM 1633 CB VAL A 110 3.258 1.117 -13.185 1.00 45.54 C ATOM 1634 CG1 VAL A 110 2.415 0.407 -12.084 1.00 20.32 C ATOM 1635 CG2 VAL A 110 4.572 0.340 -13.473 1.00 34.53 C ATOM 0 H VAL A 110 3.766 2.804 -15.215 1.00 0.23 H new ATOM 0 HA VAL A 110 2.108 0.374 -14.895 1.00 33.22 H new ATOM 0 HB VAL A 110 3.529 2.101 -12.803 1.00 45.54 H new ATOM 0 HG11 VAL A 110 3.024 0.270 -11.191 1.00 20.32 H new ATOM 0 HG12 VAL A 110 1.546 1.018 -11.840 1.00 20.32 H new ATOM 0 HG13 VAL A 110 2.084 -0.565 -12.450 1.00 20.32 H new ATOM 0 HG21 VAL A 110 5.124 0.201 -12.543 1.00 34.53 H new ATOM 0 HG22 VAL A 110 4.333 -0.633 -13.902 1.00 34.53 H new ATOM 0 HG23 VAL A 110 5.183 0.906 -14.176 1.00 34.53 H new ATOM 1645 N LYS A 111 -0.027 1.587 -14.236 1.00 72.33 N ATOM 1646 CA LYS A 111 -1.311 2.270 -13.928 1.00 54.24 C ATOM 1647 C LYS A 111 -2.033 1.609 -12.731 1.00 43.21 C ATOM 1648 O LYS A 111 -1.786 0.437 -12.412 1.00 33.40 O ATOM 1649 CB LYS A 111 -2.223 2.334 -15.202 1.00 53.30 C ATOM 1650 CG LYS A 111 -2.462 0.993 -15.954 1.00 21.42 C ATOM 1651 CD LYS A 111 -3.564 0.091 -15.337 1.00 61.54 C ATOM 1652 CE LYS A 111 -3.686 -1.260 -16.061 1.00 23.32 C ATOM 1653 NZ LYS A 111 -3.981 -1.092 -17.508 1.00 61.12 N ATOM 0 H LYS A 111 -0.139 0.607 -14.496 1.00 72.33 H new ATOM 0 HA LYS A 111 -1.087 3.295 -13.631 1.00 54.24 H new ATOM 0 HB2 LYS A 111 -3.192 2.737 -14.908 1.00 53.30 H new ATOM 0 HB3 LYS A 111 -1.782 3.043 -15.902 1.00 53.30 H new ATOM 0 HG2 LYS A 111 -2.729 1.214 -16.987 1.00 21.42 H new ATOM 0 HG3 LYS A 111 -1.526 0.434 -15.979 1.00 21.42 H new ATOM 0 HD2 LYS A 111 -3.341 -0.082 -14.284 1.00 61.54 H new ATOM 0 HD3 LYS A 111 -4.521 0.611 -15.379 1.00 61.54 H new ATOM 0 HE2 LYS A 111 -2.758 -1.820 -15.943 1.00 23.32 H new ATOM 0 HE3 LYS A 111 -4.476 -1.850 -15.596 1.00 23.32 H new ATOM 0 HZ1 LYS A 111 -4.172 -2.021 -17.933 1.00 61.12 H new ATOM 0 HZ2 LYS A 111 -4.814 -0.480 -17.624 1.00 61.12 H new ATOM 0 HZ3 LYS A 111 -3.163 -0.657 -17.981 1.00 61.12 H new ATOM 1667 N ASN A 112 -2.916 2.399 -12.084 1.00 4.23 N ATOM 1668 CA ASN A 112 -3.767 1.954 -10.941 1.00 71.23 C ATOM 1669 C ASN A 112 -2.900 1.409 -9.753 1.00 2.33 C ATOM 1670 O ASN A 112 -3.318 0.526 -8.995 1.00 13.15 O ATOM 1671 CB ASN A 112 -4.824 0.909 -11.458 1.00 41.22 C ATOM 1672 CG ASN A 112 -6.064 0.710 -10.555 1.00 51.13 C ATOM 1673 OD1 ASN A 112 -7.225 0.590 -11.167 1.00 32.24 O flip ATOM 1674 ND2 ASN A 112 -5.993 0.688 -9.331 1.00 1.23 N flip ATOM 0 H ASN A 112 -3.066 3.376 -12.337 1.00 4.23 H new ATOM 0 HA ASN A 112 -4.308 2.810 -10.537 1.00 71.23 H new ATOM 0 HB2 ASN A 112 -5.163 1.220 -12.446 1.00 41.22 H new ATOM 0 HB3 ASN A 112 -4.327 -0.054 -11.580 1.00 41.22 H new ATOM 0 HD21 ASN A 112 -5.088 0.782 -8.871 1.00 1.23 H new ATOM 0 HD22 ASN A 112 -6.839 0.576 -8.773 1.00 1.23 H new ATOM 1681 N HIS A 113 -1.679 1.958 -9.604 1.00 73.02 N ATOM 1682 CA HIS A 113 -0.730 1.539 -8.552 1.00 33.44 C ATOM 1683 C HIS A 113 -1.170 2.059 -7.163 1.00 12.54 C ATOM 1684 O HIS A 113 -1.541 3.223 -7.017 1.00 33.13 O ATOM 1685 CB HIS A 113 0.703 2.021 -8.874 1.00 61.35 C ATOM 1686 CG HIS A 113 1.727 1.533 -7.877 1.00 63.41 C ATOM 1687 ND1 HIS A 113 2.254 0.272 -7.963 1.00 31.45 N ATOM 1688 CD2 HIS A 113 2.238 2.144 -6.776 1.00 64.50 C ATOM 1689 CE1 HIS A 113 3.054 0.140 -6.927 1.00 62.43 C ATOM 1690 NE2 HIS A 113 3.082 1.248 -6.177 1.00 62.22 N ATOM 0 H HIS A 113 -1.323 2.701 -10.206 1.00 73.02 H new ATOM 0 HA HIS A 113 -0.730 0.449 -8.526 1.00 33.44 H new ATOM 0 HB2 HIS A 113 0.981 1.677 -9.870 1.00 61.35 H new ATOM 0 HB3 HIS A 113 0.717 3.111 -8.898 1.00 61.35 H new ATOM 0 HD2 HIS A 113 2.020 3.146 -6.438 1.00 64.50 H new ATOM 0 HE1 HIS A 113 3.619 -0.754 -6.708 1.00 62.43 H new ATOM 0 HE2 HIS A 113 3.625 1.396 -5.326 1.00 62.22 H new ATOM 1698 N LYS A 114 -1.092 1.182 -6.154 1.00 23.15 N ATOM 1699 CA LYS A 114 -1.625 1.460 -4.804 1.00 60.41 C ATOM 1700 C LYS A 114 -1.068 0.460 -3.740 1.00 3.43 C ATOM 1701 O LYS A 114 -0.690 -0.659 -4.092 1.00 70.13 O ATOM 1702 CB LYS A 114 -3.181 1.425 -4.884 1.00 32.03 C ATOM 1703 CG LYS A 114 -3.768 0.097 -5.410 1.00 31.25 C ATOM 1704 CD LYS A 114 -5.281 0.180 -5.698 1.00 11.53 C ATOM 1705 CE LYS A 114 -5.878 -1.182 -6.080 1.00 51.12 C ATOM 1706 NZ LYS A 114 -7.281 -1.069 -6.531 1.00 4.01 N ATOM 0 H LYS A 114 -0.661 0.262 -6.244 1.00 23.15 H new ATOM 0 HA LYS A 114 -1.299 2.446 -4.475 1.00 60.41 H new ATOM 0 HB2 LYS A 114 -3.587 1.619 -3.891 1.00 32.03 H new ATOM 0 HB3 LYS A 114 -3.517 2.236 -5.530 1.00 32.03 H new ATOM 0 HG2 LYS A 114 -3.245 -0.189 -6.323 1.00 31.25 H new ATOM 0 HG3 LYS A 114 -3.586 -0.690 -4.678 1.00 31.25 H new ATOM 0 HD2 LYS A 114 -5.795 0.565 -4.818 1.00 11.53 H new ATOM 0 HD3 LYS A 114 -5.456 0.890 -6.506 1.00 11.53 H new ATOM 0 HE2 LYS A 114 -5.278 -1.631 -6.872 1.00 51.12 H new ATOM 0 HE3 LYS A 114 -5.827 -1.853 -5.222 1.00 51.12 H new ATOM 0 HZ1 LYS A 114 -7.500 -1.850 -7.182 1.00 4.01 H new ATOM 0 HZ2 LYS A 114 -7.915 -1.116 -5.708 1.00 4.01 H new ATOM 0 HZ3 LYS A 114 -7.416 -0.162 -7.021 1.00 4.01 H new ATOM 1720 N TRP A 115 -1.004 0.835 -2.429 1.00 71.02 N ATOM 1721 CA TRP A 115 -1.450 2.152 -1.873 1.00 21.13 C ATOM 1722 C TRP A 115 -0.257 3.054 -1.493 1.00 23.10 C ATOM 1723 O TRP A 115 0.717 2.595 -0.898 1.00 72.03 O ATOM 1724 CB TRP A 115 -2.349 1.941 -0.626 1.00 43.45 C ATOM 1725 CG TRP A 115 -3.553 1.077 -0.896 1.00 24.12 C ATOM 1726 CD1 TRP A 115 -3.708 -0.238 -0.570 1.00 25.10 C ATOM 1727 CD2 TRP A 115 -4.756 1.460 -1.583 1.00 53.21 C ATOM 1728 NE1 TRP A 115 -4.918 -0.686 -1.006 1.00 11.02 N ATOM 1729 CE2 TRP A 115 -5.577 0.324 -1.632 1.00 1.23 C ATOM 1730 CE3 TRP A 115 -5.215 2.647 -2.169 1.00 2.52 C ATOM 1731 CZ2 TRP A 115 -6.829 0.331 -2.229 1.00 61.54 C ATOM 1732 CZ3 TRP A 115 -6.460 2.653 -2.764 1.00 13.21 C ATOM 1733 CH2 TRP A 115 -7.254 1.497 -2.792 1.00 41.34 C ATOM 0 H TRP A 115 -0.631 0.215 -1.710 1.00 71.02 H new ATOM 0 HA TRP A 115 -2.019 2.650 -2.658 1.00 21.13 H new ATOM 0 HB2 TRP A 115 -1.756 1.487 0.168 1.00 43.45 H new ATOM 0 HB3 TRP A 115 -2.682 2.912 -0.259 1.00 43.45 H new ATOM 0 HD1 TRP A 115 -2.979 -0.836 -0.044 1.00 25.10 H new ATOM 0 HE1 TRP A 115 -5.275 -1.634 -0.882 1.00 11.02 H new ATOM 0 HE3 TRP A 115 -4.607 3.539 -2.155 1.00 2.52 H new ATOM 0 HZ2 TRP A 115 -7.445 -0.556 -2.247 1.00 61.54 H new ATOM 0 HZ3 TRP A 115 -6.829 3.562 -3.215 1.00 13.21 H new ATOM 0 HH2 TRP A 115 -8.222 1.532 -3.270 1.00 41.34 H new ATOM 1744 N VAL A 116 -0.372 4.345 -1.842 1.00 61.45 N ATOM 1745 CA VAL A 116 0.602 5.403 -1.468 1.00 60.23 C ATOM 1746 C VAL A 116 -0.116 6.495 -0.641 1.00 21.20 C ATOM 1747 O VAL A 116 -1.271 6.795 -0.888 1.00 22.00 O ATOM 1748 CB VAL A 116 1.290 6.044 -2.737 1.00 14.30 C ATOM 1749 CG1 VAL A 116 2.193 5.010 -3.468 1.00 2.24 C ATOM 1750 CG2 VAL A 116 0.235 6.650 -3.705 1.00 33.20 C ATOM 0 H VAL A 116 -1.151 4.696 -2.399 1.00 61.45 H new ATOM 0 HA VAL A 116 1.389 4.943 -0.870 1.00 60.23 H new ATOM 0 HB VAL A 116 1.928 6.858 -2.391 1.00 14.30 H new ATOM 0 HG11 VAL A 116 2.653 5.479 -4.337 1.00 2.24 H new ATOM 0 HG12 VAL A 116 2.971 4.662 -2.789 1.00 2.24 H new ATOM 0 HG13 VAL A 116 1.588 4.163 -3.791 1.00 2.24 H new ATOM 0 HG21 VAL A 116 0.740 7.083 -4.568 1.00 33.20 H new ATOM 0 HG22 VAL A 116 -0.446 5.866 -4.038 1.00 33.20 H new ATOM 0 HG23 VAL A 116 -0.330 7.426 -3.188 1.00 33.20 H new ATOM 1760 N THR A 117 0.562 7.085 0.347 1.00 35.11 N ATOM 1761 CA THR A 117 -0.059 8.100 1.243 1.00 3.34 C ATOM 1762 C THR A 117 0.317 9.536 0.836 1.00 61.40 C ATOM 1763 O THR A 117 1.072 9.750 -0.125 1.00 40.43 O ATOM 1764 CB THR A 117 0.310 7.846 2.739 1.00 13.23 C ATOM 1765 OG1 THR A 117 1.730 7.866 2.911 1.00 24.03 O ATOM 1766 CG2 THR A 117 -0.251 6.504 3.230 1.00 14.30 C ATOM 0 H THR A 117 1.540 6.887 0.557 1.00 35.11 H new ATOM 0 HA THR A 117 -1.138 7.993 1.132 1.00 3.34 H new ATOM 0 HB THR A 117 -0.137 8.644 3.332 1.00 13.23 H new ATOM 0 HG1 THR A 117 1.948 7.707 3.853 1.00 24.03 H new ATOM 0 HG21 THR A 117 0.022 6.356 4.275 1.00 14.30 H new ATOM 0 HG22 THR A 117 -1.337 6.507 3.136 1.00 14.30 H new ATOM 0 HG23 THR A 117 0.163 5.695 2.628 1.00 14.30 H new ATOM 1774 N GLU A 118 -0.239 10.510 1.586 1.00 33.01 N ATOM 1775 CA GLU A 118 -0.077 11.959 1.327 1.00 64.13 C ATOM 1776 C GLU A 118 1.411 12.388 1.292 1.00 71.00 C ATOM 1777 O GLU A 118 1.862 13.011 0.323 1.00 42.41 O ATOM 1778 CB GLU A 118 -0.854 12.764 2.410 1.00 34.30 C ATOM 1779 CG GLU A 118 -0.863 14.300 2.220 1.00 33.55 C ATOM 1780 CD GLU A 118 -1.641 14.761 0.973 1.00 55.34 C ATOM 1781 OE1 GLU A 118 -1.050 14.869 -0.122 1.00 65.30 O ATOM 1782 OE2 GLU A 118 -2.862 15.015 1.079 1.00 5.24 O ATOM 0 H GLU A 118 -0.821 10.311 2.400 1.00 33.01 H new ATOM 0 HA GLU A 118 -0.487 12.174 0.340 1.00 64.13 H new ATOM 0 HB2 GLU A 118 -1.885 12.412 2.429 1.00 34.30 H new ATOM 0 HB3 GLU A 118 -0.422 12.539 3.385 1.00 34.30 H new ATOM 0 HG2 GLU A 118 -1.300 14.765 3.104 1.00 33.55 H new ATOM 0 HG3 GLU A 118 0.165 14.655 2.149 1.00 33.55 H new ATOM 1789 N ASP A 119 2.169 11.999 2.339 1.00 12.34 N ATOM 1790 CA ASP A 119 3.611 12.344 2.486 1.00 44.42 C ATOM 1791 C ASP A 119 4.508 11.675 1.410 1.00 31.21 C ATOM 1792 O ASP A 119 5.634 12.118 1.179 1.00 61.12 O ATOM 1793 CB ASP A 119 4.120 11.939 3.890 1.00 44.32 C ATOM 1794 CG ASP A 119 3.342 12.610 5.027 1.00 55.01 C ATOM 1795 OD1 ASP A 119 3.615 13.789 5.332 1.00 71.32 O ATOM 1796 OD2 ASP A 119 2.452 11.964 5.619 1.00 3.20 O ATOM 0 H ASP A 119 1.805 11.437 3.109 1.00 12.34 H new ATOM 0 HA ASP A 119 3.682 13.423 2.351 1.00 44.42 H new ATOM 0 HB2 ASP A 119 4.048 10.857 3.998 1.00 44.32 H new ATOM 0 HB3 ASP A 119 5.175 12.199 3.977 1.00 44.32 H new ATOM 1801 N GLU A 120 3.995 10.624 0.745 1.00 64.22 N ATOM 1802 CA GLU A 120 4.769 9.838 -0.248 1.00 23.11 C ATOM 1803 C GLU A 120 4.609 10.413 -1.674 1.00 72.32 C ATOM 1804 O GLU A 120 5.302 9.991 -2.604 1.00 1.44 O ATOM 1805 CB GLU A 120 4.340 8.350 -0.180 1.00 55.40 C ATOM 1806 CG GLU A 120 4.526 7.732 1.224 1.00 51.33 C ATOM 1807 CD GLU A 120 4.300 6.215 1.280 1.00 31.13 C ATOM 1808 OE1 GLU A 120 3.194 5.755 0.950 1.00 50.02 O ATOM 1809 OE2 GLU A 120 5.221 5.477 1.691 1.00 11.24 O ATOM 0 H GLU A 120 3.039 10.293 0.876 1.00 64.22 H new ATOM 0 HA GLU A 120 5.829 9.907 -0.002 1.00 23.11 H new ATOM 0 HB2 GLU A 120 3.293 8.266 -0.472 1.00 55.40 H new ATOM 0 HB3 GLU A 120 4.920 7.777 -0.903 1.00 55.40 H new ATOM 0 HG2 GLU A 120 5.535 7.951 1.574 1.00 51.33 H new ATOM 0 HG3 GLU A 120 3.837 8.216 1.916 1.00 51.33 H new ATOM 1816 N LEU A 121 3.721 11.418 -1.816 1.00 4.11 N ATOM 1817 CA LEU A 121 3.491 12.158 -3.077 1.00 15.42 C ATOM 1818 C LEU A 121 3.912 13.636 -2.892 1.00 11.11 C ATOM 1819 O LEU A 121 4.029 14.119 -1.757 1.00 14.55 O ATOM 1820 CB LEU A 121 1.987 12.093 -3.472 1.00 75.52 C ATOM 1821 CG LEU A 121 1.366 10.669 -3.624 1.00 12.43 C ATOM 1822 CD1 LEU A 121 -0.127 10.749 -4.014 1.00 12.23 C ATOM 1823 CD2 LEU A 121 2.167 9.810 -4.629 1.00 1.14 C ATOM 0 H LEU A 121 3.134 11.744 -1.048 1.00 4.11 H new ATOM 0 HA LEU A 121 4.086 11.702 -3.869 1.00 15.42 H new ATOM 0 HB2 LEU A 121 1.414 12.636 -2.721 1.00 75.52 H new ATOM 0 HB3 LEU A 121 1.859 12.623 -4.416 1.00 75.52 H new ATOM 0 HG LEU A 121 1.427 10.177 -2.653 1.00 12.43 H new ATOM 0 HD11 LEU A 121 -0.532 9.742 -4.113 1.00 12.23 H new ATOM 0 HD12 LEU A 121 -0.677 11.287 -3.242 1.00 12.23 H new ATOM 0 HD13 LEU A 121 -0.227 11.275 -4.963 1.00 12.23 H new ATOM 0 HD21 LEU A 121 1.709 8.825 -4.712 1.00 1.14 H new ATOM 0 HD22 LEU A 121 2.164 10.295 -5.605 1.00 1.14 H new ATOM 0 HD23 LEU A 121 3.194 9.704 -4.280 1.00 1.14 H new ATOM 1835 N SER A 122 4.149 14.345 -4.007 1.00 40.21 N ATOM 1836 CA SER A 122 4.407 15.812 -4.005 1.00 32.21 C ATOM 1837 C SER A 122 3.827 16.430 -5.294 1.00 70.21 C ATOM 1838 O SER A 122 4.257 16.070 -6.374 1.00 44.12 O ATOM 1839 CB SER A 122 5.932 16.103 -3.914 1.00 40.14 C ATOM 1840 OG SER A 122 6.507 15.561 -2.732 1.00 21.42 O ATOM 0 H SER A 122 4.169 13.928 -4.938 1.00 40.21 H new ATOM 0 HA SER A 122 3.924 16.256 -3.134 1.00 32.21 H new ATOM 0 HB2 SER A 122 6.434 15.684 -4.786 1.00 40.14 H new ATOM 0 HB3 SER A 122 6.098 17.180 -3.937 1.00 40.14 H new ATOM 0 HG SER A 122 7.466 15.763 -2.712 1.00 21.42 H new ATOM 1846 N ALA A 123 2.887 17.391 -5.169 1.00 33.15 N ATOM 1847 CA ALA A 123 2.166 17.981 -6.336 1.00 22.02 C ATOM 1848 C ALA A 123 3.127 18.723 -7.298 1.00 54.14 C ATOM 1849 O ALA A 123 4.043 19.405 -6.838 1.00 21.24 O ATOM 1850 CB ALA A 123 1.050 18.922 -5.842 1.00 65.34 C ATOM 0 H ALA A 123 2.603 17.782 -4.271 1.00 33.15 H new ATOM 0 HA ALA A 123 1.720 17.163 -6.902 1.00 22.02 H new ATOM 0 HB1 ALA A 123 0.528 19.349 -6.699 1.00 65.34 H new ATOM 0 HB2 ALA A 123 0.344 18.360 -5.230 1.00 65.34 H new ATOM 0 HB3 ALA A 123 1.487 19.724 -5.247 1.00 65.34 H new ATOM 1856 N LYS A 124 2.913 18.580 -8.628 1.00 15.54 N ATOM 1857 CA LYS A 124 3.775 19.212 -9.658 1.00 50.35 C ATOM 1858 C LYS A 124 3.681 20.761 -9.576 1.00 73.22 C ATOM 1859 O LYS A 124 2.841 21.399 -10.221 1.00 64.50 O ATOM 1860 CB LYS A 124 3.411 18.681 -11.077 1.00 73.42 C ATOM 1861 CG LYS A 124 4.253 19.274 -12.234 1.00 74.15 C ATOM 1862 CD LYS A 124 5.777 19.026 -12.075 1.00 13.44 C ATOM 1863 CE LYS A 124 6.596 19.709 -13.182 1.00 4.32 C ATOM 1864 NZ LYS A 124 8.057 19.543 -12.986 1.00 42.14 N ATOM 0 H LYS A 124 2.147 18.029 -9.015 1.00 15.54 H new ATOM 0 HA LYS A 124 4.812 18.939 -9.464 1.00 50.35 H new ATOM 0 HB2 LYS A 124 3.525 17.597 -11.083 1.00 73.42 H new ATOM 0 HB3 LYS A 124 2.359 18.892 -11.268 1.00 73.42 H new ATOM 0 HG2 LYS A 124 3.918 18.841 -13.177 1.00 74.15 H new ATOM 0 HG3 LYS A 124 4.071 20.347 -12.294 1.00 74.15 H new ATOM 0 HD2 LYS A 124 6.104 19.396 -11.103 1.00 13.44 H new ATOM 0 HD3 LYS A 124 5.972 17.954 -12.090 1.00 13.44 H new ATOM 0 HE2 LYS A 124 6.312 19.294 -14.149 1.00 4.32 H new ATOM 0 HE3 LYS A 124 6.354 20.771 -13.207 1.00 4.32 H new ATOM 0 HZ1 LYS A 124 8.567 20.020 -13.757 1.00 42.14 H new ATOM 0 HZ2 LYS A 124 8.335 19.962 -12.075 1.00 42.14 H new ATOM 0 HZ3 LYS A 124 8.295 18.531 -12.988 1.00 42.14 H new