USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 905 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 71 SER OG : rot 180:sc= 0.315 USER MOD Set 1.2: A 72 LYS NZ :NH3+ -166:sc= 0.784 (180deg=-0.329) USER MOD Set 2.1: A 59 SER OG : rot -102:sc= 2.22 USER MOD Set 2.2: A 62 GLN : amide:sc= 0.622 X(o=2.8,f=2.5) USER MOD Set 3.1: A 30 ASN : amide:sc= 0.483 X(o=0.49,f=0.77) USER MOD Set 3.2: A 32 GLN : amide:sc= -0.649 K(o=0.49,f=1.3) USER MOD Set 3.3: A 55 LYS NZ :NH3+ 179:sc= 0.659 (180deg=1.16) USER MOD Set 4.1: A 41 GLN : amide:sc= -0.81 K(o=-1.5,f=-9!) USER MOD Set 4.2: A 82 HIS : no HD1:sc= -0.654 K(o=-1.5,f=-6.9!) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.207 (180deg=-0.771) USER MOD Single : A 1 MET N :NH3+ -179:sc= -0.118 (180deg=-0.123) USER MOD Single : A 2 LYS NZ :NH3+ -150:sc= 1.14 (180deg=0.152) USER MOD Single : A 3 ASN : amide:sc=-0.00618 X(o=-0.0062,f=-0.086) USER MOD Single : A 4 THR OG1 : rot 125:sc= 0.475 USER MOD Single : A 13 SER OG : rot 180:sc= -0.565 USER MOD Single : A 14 GLN : amide:sc= 0.501 K(o=0.5,f=-1) USER MOD Single : A 15 ASN : amide:sc= -5.42! K(o=-5.4!,f=-1.3) USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0297) USER MOD Single : A 25 THR OG1 : rot -100:sc= -0.64! USER MOD Single : A 27 HIS : no HD1:sc= 0.289 K(o=0.57,f=-4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 169:sc=-0.00901 (180deg=-0.157) USER MOD Single : A 38 LYS NZ :NH3+ 166:sc= -0.0359 (180deg=-0.249) USER MOD Single : A 42 TYR OH : rot -145:sc= 0.449 USER MOD Single : A 43 ASN : amide:sc= -4.81! K(o=-4.8!,f=-0.79) USER MOD Single : A 45 MET CE :methyl -162:sc= -0.179 (180deg=-1.19) USER MOD Single : A 58 ASN : amide:sc= 0.207! C(o=0.21!,f=-11!) USER MOD Single : A 66 LYS NZ :NH3+ 177:sc= 0.312 (180deg=0.267) USER MOD Single : A 67 MET CE :methyl 176:sc= 0 (180deg=-0.023) USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= 2.12 (180deg=0.559) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -150:sc= -0.701 USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= -0.0156 (180deg=-0.157) USER MOD Single : A 89 LYS NZ :NH3+ -170:sc=-0.00862 (180deg=-0.119) USER MOD Single : A 90 SER OG : rot 37:sc= 1.43 USER MOD Single : A 91 THR OG1 : rot 168:sc= -2.07! USER MOD Single : A 92 GLN : amide:sc= -0.0934 X(o=-0.093,f=-0.18) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= -0.175 USER MOD Single : A 96 LYS NZ :NH3+ 170:sc= -0.0153 (180deg=-0.136) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0.0145 X(o=0.014,f=-0.18) USER MOD Single : A 109 HIS : no HD1:sc= -0.317 X(o=-0.32,f=-0.038) USER MOD Single : A 110 HIS : no HE2:sc= 0.627 K(o=0.63,f=-2.6!) USER MOD Single : A 111 HIS : no HD1:sc= -0.0704 X(o=-0.07,f=-0.072) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HE2:sc= -0.328 K(o=-0.33,f=-0.93) USER MOD Single : A 114 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.504 -21.863 0.846 1.00 0.12 N ATOM 2 CA MET A 1 16.499 -20.899 1.984 1.00 3.11 C ATOM 3 C MET A 1 17.321 -19.635 1.675 1.00 51.40 C ATOM 4 O MET A 1 17.601 -18.836 2.567 1.00 41.22 O ATOM 5 CB MET A 1 17.045 -21.582 3.244 1.00 41.33 C ATOM 6 CG MET A 1 16.133 -22.665 3.796 1.00 21.33 C ATOM 7 SD MET A 1 14.499 -22.034 4.218 1.00 14.41 S ATOM 8 CE MET A 1 14.924 -20.750 5.398 1.00 54.41 C ATOM 0 H1 MET A 1 15.925 -22.692 1.090 1.00 0.12 H new ATOM 0 H2 MET A 1 16.111 -21.403 -0.000 1.00 0.12 H new ATOM 0 H3 MET A 1 17.480 -22.167 0.653 1.00 0.12 H new ATOM 0 HA MET A 1 15.468 -20.587 2.148 1.00 3.11 H new ATOM 0 HB2 MET A 1 18.017 -22.019 3.017 1.00 41.33 H new ATOM 0 HB3 MET A 1 17.206 -20.828 4.014 1.00 41.33 H new ATOM 0 HG2 MET A 1 16.033 -23.463 3.060 1.00 21.33 H new ATOM 0 HG3 MET A 1 16.590 -23.105 4.682 1.00 21.33 H new ATOM 0 HE1 MET A 1 14.052 -20.512 6.007 1.00 54.41 H new ATOM 0 HE2 MET A 1 15.731 -21.100 6.042 1.00 54.41 H new ATOM 0 HE3 MET A 1 15.248 -19.857 4.863 1.00 54.41 H new ATOM 20 N LYS A 2 17.696 -19.448 0.413 1.00 23.12 N ATOM 21 CA LYS A 2 18.487 -18.282 0.012 1.00 63.14 C ATOM 22 C LYS A 2 17.595 -17.038 -0.124 1.00 11.20 C ATOM 23 O LYS A 2 16.894 -16.865 -1.122 1.00 43.40 O ATOM 24 CB LYS A 2 19.218 -18.573 -1.310 1.00 74.40 C ATOM 25 CG LYS A 2 20.152 -17.463 -1.809 1.00 22.31 C ATOM 26 CD LYS A 2 21.434 -17.336 -0.975 1.00 61.12 C ATOM 27 CE LYS A 2 21.248 -16.467 0.266 1.00 21.23 C ATOM 28 NZ LYS A 2 20.936 -15.051 -0.078 1.00 62.43 N ATOM 0 H LYS A 2 17.467 -20.085 -0.350 1.00 23.12 H new ATOM 0 HA LYS A 2 19.228 -18.080 0.786 1.00 63.14 H new ATOM 0 HB2 LYS A 2 19.801 -19.486 -1.189 1.00 74.40 H new ATOM 0 HB3 LYS A 2 18.473 -18.770 -2.081 1.00 74.40 H new ATOM 0 HG2 LYS A 2 20.419 -17.660 -2.847 1.00 22.31 H new ATOM 0 HG3 LYS A 2 19.619 -16.512 -1.792 1.00 22.31 H new ATOM 0 HD2 LYS A 2 21.764 -18.329 -0.671 1.00 61.12 H new ATOM 0 HD3 LYS A 2 22.225 -16.913 -1.594 1.00 61.12 H new ATOM 0 HE2 LYS A 2 20.443 -16.876 0.876 1.00 21.23 H new ATOM 0 HE3 LYS A 2 22.155 -16.501 0.870 1.00 21.23 H new ATOM 0 HZ1 LYS A 2 21.303 -14.424 0.666 1.00 62.43 H new ATOM 0 HZ2 LYS A 2 21.381 -14.808 -0.986 1.00 62.43 H new ATOM 0 HZ3 LYS A 2 19.906 -14.931 -0.154 1.00 62.43 H new ATOM 42 N ASN A 3 17.601 -16.194 0.907 1.00 53.11 N ATOM 43 CA ASN A 3 16.831 -14.943 0.896 1.00 12.54 C ATOM 44 C ASN A 3 17.403 -13.945 -0.126 1.00 2.30 C ATOM 45 O ASN A 3 18.608 -13.936 -0.388 1.00 11.12 O ATOM 46 CB ASN A 3 16.840 -14.307 2.291 1.00 20.40 C ATOM 47 CG ASN A 3 16.325 -15.250 3.365 1.00 43.42 C ATOM 48 OD1 ASN A 3 17.087 -16.005 3.958 1.00 44.51 O ATOM 49 ND2 ASN A 3 15.033 -15.208 3.627 1.00 53.01 N ATOM 0 H ASN A 3 18.131 -16.351 1.764 1.00 53.11 H new ATOM 0 HA ASN A 3 15.807 -15.183 0.609 1.00 12.54 H new ATOM 0 HB2 ASN A 3 17.856 -13.999 2.539 1.00 20.40 H new ATOM 0 HB3 ASN A 3 16.227 -13.406 2.280 1.00 20.40 H new ATOM 0 HD21 ASN A 3 14.638 -15.817 4.344 1.00 53.01 H new ATOM 0 HD22 ASN A 3 14.429 -14.567 3.113 1.00 53.01 H new ATOM 56 N THR A 4 16.535 -13.107 -0.695 1.00 45.13 N ATOM 57 CA THR A 4 16.965 -12.082 -1.658 1.00 65.43 C ATOM 58 C THR A 4 17.944 -11.092 -1.013 1.00 73.22 C ATOM 59 O THR A 4 17.662 -10.533 0.050 1.00 12.15 O ATOM 60 CB THR A 4 15.760 -11.285 -2.220 1.00 4.31 C ATOM 61 OG1 THR A 4 14.751 -12.181 -2.709 1.00 42.22 O ATOM 62 CG2 THR A 4 16.191 -10.347 -3.347 1.00 3.33 C ATOM 0 H THR A 4 15.532 -13.115 -0.509 1.00 45.13 H new ATOM 0 HA THR A 4 17.459 -12.611 -2.473 1.00 65.43 H new ATOM 0 HB THR A 4 15.354 -10.687 -1.404 1.00 4.31 H new ATOM 0 HG1 THR A 4 13.895 -11.977 -2.277 1.00 42.22 H new ATOM 0 HG21 THR A 4 15.323 -9.803 -3.719 1.00 3.33 H new ATOM 0 HG22 THR A 4 16.929 -9.639 -2.969 1.00 3.33 H new ATOM 0 HG23 THR A 4 16.629 -10.929 -4.157 1.00 3.33 H new ATOM 70 N GLY A 5 19.093 -10.882 -1.649 1.00 61.43 N ATOM 71 CA GLY A 5 20.075 -9.936 -1.129 1.00 53.40 C ATOM 72 C GLY A 5 19.603 -8.492 -1.232 1.00 43.54 C ATOM 73 O GLY A 5 19.753 -7.705 -0.291 1.00 64.33 O ATOM 0 H GLY A 5 19.365 -11.348 -2.515 1.00 61.43 H new ATOM 0 HA2 GLY A 5 20.286 -10.173 -0.086 1.00 53.40 H new ATOM 0 HA3 GLY A 5 21.010 -10.049 -1.677 1.00 53.40 H new ATOM 77 N ASP A 6 19.033 -8.146 -2.381 1.00 23.53 N ATOM 78 CA ASP A 6 18.491 -6.806 -2.610 1.00 32.20 C ATOM 79 C ASP A 6 17.114 -6.664 -1.946 1.00 63.25 C ATOM 80 O ASP A 6 16.079 -6.923 -2.562 1.00 1.50 O ATOM 81 CB ASP A 6 18.395 -6.534 -4.114 1.00 53.23 C ATOM 82 CG ASP A 6 19.666 -6.928 -4.843 1.00 31.32 C ATOM 83 OD1 ASP A 6 19.810 -8.124 -5.191 1.00 75.53 O ATOM 84 OD2 ASP A 6 20.540 -6.059 -5.054 1.00 54.44 O ATOM 0 H ASP A 6 18.933 -8.778 -3.175 1.00 23.53 H new ATOM 0 HA ASP A 6 19.161 -6.072 -2.163 1.00 32.20 H new ATOM 0 HB2 ASP A 6 17.552 -7.086 -4.530 1.00 53.23 H new ATOM 0 HB3 ASP A 6 18.195 -5.475 -4.279 1.00 53.23 H new ATOM 89 N GLU A 7 17.113 -6.274 -0.675 1.00 72.42 N ATOM 90 CA GLU A 7 15.877 -6.198 0.108 1.00 14.43 C ATOM 91 C GLU A 7 15.100 -4.908 -0.167 1.00 70.32 C ATOM 92 O GLU A 7 15.679 -3.826 -0.240 1.00 74.14 O ATOM 93 CB GLU A 7 16.184 -6.310 1.606 1.00 13.11 C ATOM 94 CG GLU A 7 16.870 -7.612 1.999 1.00 52.20 C ATOM 95 CD GLU A 7 17.060 -7.745 3.501 1.00 11.04 C ATOM 96 OE1 GLU A 7 16.138 -8.245 4.182 1.00 33.51 O ATOM 97 OE2 GLU A 7 18.135 -7.356 4.007 1.00 22.31 O ATOM 0 H GLU A 7 17.953 -6.005 -0.162 1.00 72.42 H new ATOM 0 HA GLU A 7 15.251 -7.036 -0.199 1.00 14.43 H new ATOM 0 HB2 GLU A 7 16.818 -5.473 1.901 1.00 13.11 H new ATOM 0 HB3 GLU A 7 15.253 -6.218 2.166 1.00 13.11 H new ATOM 0 HG2 GLU A 7 16.279 -8.453 1.636 1.00 52.20 H new ATOM 0 HG3 GLU A 7 17.841 -7.669 1.508 1.00 52.20 H new ATOM 104 N VAL A 8 13.786 -5.034 -0.321 1.00 31.32 N ATOM 105 CA VAL A 8 12.911 -3.887 -0.565 1.00 22.04 C ATOM 106 C VAL A 8 11.768 -3.822 0.464 1.00 40.13 C ATOM 107 O VAL A 8 11.188 -4.847 0.842 1.00 62.24 O ATOM 108 CB VAL A 8 12.326 -3.922 -2.000 1.00 52.35 C ATOM 109 CG1 VAL A 8 13.439 -3.815 -3.041 1.00 14.15 C ATOM 110 CG2 VAL A 8 11.499 -5.191 -2.222 1.00 71.41 C ATOM 0 H VAL A 8 13.297 -5.928 -0.281 1.00 31.32 H new ATOM 0 HA VAL A 8 13.523 -2.991 -0.459 1.00 22.04 H new ATOM 0 HB VAL A 8 11.666 -3.063 -2.116 1.00 52.35 H new ATOM 0 HG11 VAL A 8 13.006 -3.842 -4.041 1.00 14.15 H new ATOM 0 HG12 VAL A 8 13.977 -2.877 -2.903 1.00 14.15 H new ATOM 0 HG13 VAL A 8 14.130 -4.650 -2.922 1.00 14.15 H new ATOM 0 HG21 VAL A 8 11.099 -5.192 -3.236 1.00 71.41 H new ATOM 0 HG22 VAL A 8 12.132 -6.067 -2.080 1.00 71.41 H new ATOM 0 HG23 VAL A 8 10.676 -5.219 -1.508 1.00 71.41 H new ATOM 120 N VAL A 9 11.461 -2.613 0.924 1.00 72.32 N ATOM 121 CA VAL A 9 10.404 -2.394 1.918 1.00 35.03 C ATOM 122 C VAL A 9 9.327 -1.429 1.383 1.00 44.11 C ATOM 123 O VAL A 9 9.640 -0.429 0.732 1.00 21.23 O ATOM 124 CB VAL A 9 10.987 -1.834 3.247 1.00 74.11 C ATOM 125 CG1 VAL A 9 12.024 -2.789 3.838 1.00 15.32 C ATOM 126 CG2 VAL A 9 11.591 -0.445 3.039 1.00 31.23 C ATOM 0 H VAL A 9 11.932 -1.760 0.623 1.00 72.32 H new ATOM 0 HA VAL A 9 9.945 -3.363 2.115 1.00 35.03 H new ATOM 0 HB VAL A 9 10.165 -1.744 3.957 1.00 74.11 H new ATOM 0 HG11 VAL A 9 12.415 -2.372 4.766 1.00 15.32 H new ATOM 0 HG12 VAL A 9 11.557 -3.753 4.041 1.00 15.32 H new ATOM 0 HG13 VAL A 9 12.841 -2.924 3.129 1.00 15.32 H new ATOM 0 HG21 VAL A 9 11.991 -0.077 3.984 1.00 31.23 H new ATOM 0 HG22 VAL A 9 12.393 -0.503 2.303 1.00 31.23 H new ATOM 0 HG23 VAL A 9 10.820 0.237 2.681 1.00 31.23 H new ATOM 136 N ALA A 10 8.061 -1.741 1.654 1.00 21.13 N ATOM 137 CA ALA A 10 6.937 -0.904 1.214 1.00 64.53 C ATOM 138 C ALA A 10 6.486 0.056 2.326 1.00 72.01 C ATOM 139 O ALA A 10 5.958 -0.372 3.354 1.00 12.22 O ATOM 140 CB ALA A 10 5.771 -1.781 0.767 1.00 21.12 C ATOM 0 H ALA A 10 7.783 -2.571 2.178 1.00 21.13 H new ATOM 0 HA ALA A 10 7.275 -0.303 0.370 1.00 64.53 H new ATOM 0 HB1 ALA A 10 4.944 -1.149 0.443 1.00 21.12 H new ATOM 0 HB2 ALA A 10 6.089 -2.415 -0.061 1.00 21.12 H new ATOM 0 HB3 ALA A 10 5.446 -2.406 1.599 1.00 21.12 H new ATOM 146 N ILE A 11 6.696 1.352 2.110 1.00 62.20 N ATOM 147 CA ILE A 11 6.306 2.383 3.077 1.00 24.34 C ATOM 148 C ILE A 11 4.922 2.963 2.736 1.00 2.42 C ATOM 149 O ILE A 11 4.747 3.595 1.690 1.00 63.14 O ATOM 150 CB ILE A 11 7.337 3.545 3.106 1.00 4.52 C ATOM 151 CG1 ILE A 11 8.776 3.005 3.177 1.00 1.25 C ATOM 152 CG2 ILE A 11 7.053 4.484 4.280 1.00 2.31 C ATOM 153 CD1 ILE A 11 9.068 2.162 4.402 1.00 53.25 C ATOM 0 H ILE A 11 7.138 1.719 1.267 1.00 62.20 H new ATOM 0 HA ILE A 11 6.272 1.904 4.056 1.00 24.34 H new ATOM 0 HB ILE A 11 7.237 4.110 2.180 1.00 4.52 H new ATOM 0 HG12 ILE A 11 8.972 2.409 2.286 1.00 1.25 H new ATOM 0 HG13 ILE A 11 9.468 3.847 3.156 1.00 1.25 H new ATOM 0 HG21 ILE A 11 7.785 5.292 4.285 1.00 2.31 H new ATOM 0 HG22 ILE A 11 6.052 4.902 4.178 1.00 2.31 H new ATOM 0 HG23 ILE A 11 7.120 3.928 5.215 1.00 2.31 H new ATOM 0 HD11 ILE A 11 10.103 1.823 4.372 1.00 53.25 H new ATOM 0 HD12 ILE A 11 8.907 2.758 5.300 1.00 53.25 H new ATOM 0 HD13 ILE A 11 8.403 1.298 4.416 1.00 53.25 H new ATOM 165 N ILE A 12 3.940 2.749 3.613 1.00 71.52 N ATOM 166 CA ILE A 12 2.574 3.236 3.384 1.00 31.01 C ATOM 167 C ILE A 12 2.320 4.569 4.113 1.00 62.13 C ATOM 168 O ILE A 12 2.312 4.629 5.348 1.00 34.43 O ATOM 169 CB ILE A 12 1.502 2.201 3.831 1.00 10.54 C ATOM 170 CG1 ILE A 12 1.602 0.893 3.019 1.00 24.34 C ATOM 171 CG2 ILE A 12 0.101 2.790 3.699 1.00 10.34 C ATOM 172 CD1 ILE A 12 2.798 0.029 3.358 1.00 61.32 C ATOM 0 H ILE A 12 4.063 2.242 4.489 1.00 71.52 H new ATOM 0 HA ILE A 12 2.484 3.390 2.309 1.00 31.01 H new ATOM 0 HB ILE A 12 1.693 1.964 4.878 1.00 10.54 H new ATOM 0 HG12 ILE A 12 0.694 0.312 3.179 1.00 24.34 H new ATOM 0 HG13 ILE A 12 1.639 1.141 1.958 1.00 24.34 H new ATOM 0 HG21 ILE A 12 -0.635 2.052 4.016 1.00 10.34 H new ATOM 0 HG22 ILE A 12 0.019 3.677 4.327 1.00 10.34 H new ATOM 0 HG23 ILE A 12 -0.083 3.062 2.660 1.00 10.34 H new ATOM 0 HD11 ILE A 12 2.786 -0.868 2.739 1.00 61.32 H new ATOM 0 HD12 ILE A 12 3.715 0.587 3.170 1.00 61.32 H new ATOM 0 HD13 ILE A 12 2.755 -0.255 4.409 1.00 61.32 H new ATOM 184 N SER A 13 2.098 5.630 3.339 1.00 42.32 N ATOM 185 CA SER A 13 1.812 6.963 3.891 1.00 53.32 C ATOM 186 C SER A 13 0.387 7.418 3.549 1.00 14.11 C ATOM 187 O SER A 13 -0.060 7.290 2.413 1.00 45.51 O ATOM 188 CB SER A 13 2.811 7.995 3.351 1.00 2.02 C ATOM 189 OG SER A 13 4.142 7.684 3.739 1.00 4.41 O ATOM 0 H SER A 13 2.110 5.596 2.320 1.00 42.32 H new ATOM 0 HA SER A 13 1.907 6.891 4.975 1.00 53.32 H new ATOM 0 HB2 SER A 13 2.747 8.031 2.263 1.00 2.02 H new ATOM 0 HB3 SER A 13 2.546 8.986 3.719 1.00 2.02 H new ATOM 0 HG SER A 13 4.754 8.359 3.378 1.00 4.41 H new ATOM 195 N GLN A 14 -0.324 7.958 4.538 1.00 25.40 N ATOM 196 CA GLN A 14 -1.682 8.479 4.331 1.00 51.11 C ATOM 197 C GLN A 14 -1.800 9.928 4.832 1.00 42.22 C ATOM 198 O GLN A 14 -1.374 10.242 5.940 1.00 13.13 O ATOM 199 CB GLN A 14 -2.701 7.604 5.070 1.00 14.52 C ATOM 200 CG GLN A 14 -4.148 8.040 4.863 1.00 43.11 C ATOM 201 CD GLN A 14 -5.119 7.347 5.802 1.00 75.32 C ATOM 202 OE1 GLN A 14 -4.772 6.995 6.924 1.00 15.02 O ATOM 203 NE2 GLN A 14 -6.338 7.150 5.356 1.00 54.24 N ATOM 0 H GLN A 14 0.016 8.048 5.495 1.00 25.40 H new ATOM 0 HA GLN A 14 -1.888 8.460 3.261 1.00 51.11 H new ATOM 0 HB2 GLN A 14 -2.590 6.572 4.736 1.00 14.52 H new ATOM 0 HB3 GLN A 14 -2.475 7.620 6.136 1.00 14.52 H new ATOM 0 HG2 GLN A 14 -4.220 9.118 5.006 1.00 43.11 H new ATOM 0 HG3 GLN A 14 -4.439 7.835 3.833 1.00 43.11 H new ATOM 0 HE21 GLN A 14 -6.593 7.456 4.417 1.00 54.24 H new ATOM 0 HE22 GLN A 14 -7.030 6.691 5.949 1.00 54.24 H new ATOM 212 N ASN A 15 -2.364 10.808 3.999 1.00 14.10 N ATOM 213 CA ASN A 15 -2.611 12.212 4.382 1.00 32.11 C ATOM 214 C ASN A 15 -1.327 12.932 4.836 1.00 30.03 C ATOM 215 O ASN A 15 -1.378 13.870 5.635 1.00 41.31 O ATOM 216 CB ASN A 15 -3.674 12.298 5.493 1.00 73.44 C ATOM 217 CG ASN A 15 -5.071 11.914 5.028 1.00 23.55 C ATOM 218 OD1 ASN A 15 -6.060 12.473 5.488 1.00 14.33 O ATOM 219 ND2 ASN A 15 -5.177 10.951 4.132 1.00 21.31 N ATOM 0 H ASN A 15 -2.661 10.577 3.051 1.00 14.10 H new ATOM 0 HA ASN A 15 -2.978 12.717 3.489 1.00 32.11 H new ATOM 0 HB2 ASN A 15 -3.382 11.646 6.316 1.00 73.44 H new ATOM 0 HB3 ASN A 15 -3.697 13.315 5.885 1.00 73.44 H new ATOM 0 HD21 ASN A 15 -6.098 10.656 3.807 1.00 21.31 H new ATOM 0 HD22 ASN A 15 -4.338 10.502 3.765 1.00 21.31 H new ATOM 226 N GLY A 16 -0.182 12.494 4.318 1.00 60.32 N ATOM 227 CA GLY A 16 1.089 13.144 4.630 1.00 14.03 C ATOM 228 C GLY A 16 1.795 12.587 5.868 1.00 22.02 C ATOM 229 O GLY A 16 2.623 13.270 6.473 1.00 52.23 O ATOM 0 H GLY A 16 -0.107 11.698 3.685 1.00 60.32 H new ATOM 0 HA2 GLY A 16 1.754 13.046 3.772 1.00 14.03 H new ATOM 0 HA3 GLY A 16 0.912 14.210 4.776 1.00 14.03 H new ATOM 233 N LYS A 17 1.465 11.357 6.258 1.00 74.12 N ATOM 234 CA LYS A 17 2.149 10.690 7.377 1.00 73.44 C ATOM 235 C LYS A 17 2.245 9.171 7.159 1.00 14.14 C ATOM 236 O LYS A 17 1.303 8.545 6.671 1.00 41.12 O ATOM 237 CB LYS A 17 1.426 10.983 8.701 1.00 10.14 C ATOM 238 CG LYS A 17 -0.045 10.572 8.708 1.00 21.13 C ATOM 239 CD LYS A 17 -0.656 10.678 10.103 1.00 21.24 C ATOM 240 CE LYS A 17 -2.145 10.342 10.109 1.00 62.02 C ATOM 241 NZ LYS A 17 -2.957 11.391 9.436 1.00 73.30 N ATOM 0 H LYS A 17 0.731 10.799 5.821 1.00 74.12 H new ATOM 0 HA LYS A 17 3.162 11.089 7.424 1.00 73.44 H new ATOM 0 HB2 LYS A 17 1.942 10.463 9.508 1.00 10.14 H new ATOM 0 HB3 LYS A 17 1.496 12.050 8.913 1.00 10.14 H new ATOM 0 HG2 LYS A 17 -0.603 11.205 8.018 1.00 21.13 H new ATOM 0 HG3 LYS A 17 -0.138 9.548 8.347 1.00 21.13 H new ATOM 0 HD2 LYS A 17 -0.131 10.004 10.780 1.00 21.24 H new ATOM 0 HD3 LYS A 17 -0.512 11.689 10.485 1.00 21.24 H new ATOM 0 HE2 LYS A 17 -2.303 9.386 9.610 1.00 62.02 H new ATOM 0 HE3 LYS A 17 -2.486 10.224 11.138 1.00 62.02 H new ATOM 0 HZ1 LYS A 17 -3.967 11.166 9.537 1.00 73.30 H new ATOM 0 HZ2 LYS A 17 -2.763 12.314 9.874 1.00 73.30 H new ATOM 0 HZ3 LYS A 17 -2.709 11.427 8.427 1.00 73.30 H new ATOM 255 N VAL A 18 3.383 8.582 7.522 1.00 62.11 N ATOM 256 CA VAL A 18 3.562 7.129 7.431 1.00 70.32 C ATOM 257 C VAL A 18 2.747 6.404 8.515 1.00 75.30 C ATOM 258 O VAL A 18 2.961 6.613 9.711 1.00 31.22 O ATOM 259 CB VAL A 18 5.054 6.735 7.563 1.00 44.21 C ATOM 260 CG1 VAL A 18 5.229 5.219 7.479 1.00 70.32 C ATOM 261 CG2 VAL A 18 5.895 7.442 6.502 1.00 0.13 C ATOM 0 H VAL A 18 4.195 9.085 7.881 1.00 62.11 H new ATOM 0 HA VAL A 18 3.203 6.824 6.448 1.00 70.32 H new ATOM 0 HB VAL A 18 5.404 7.058 8.544 1.00 44.21 H new ATOM 0 HG11 VAL A 18 6.286 4.969 7.574 1.00 70.32 H new ATOM 0 HG12 VAL A 18 4.669 4.743 8.284 1.00 70.32 H new ATOM 0 HG13 VAL A 18 4.857 4.862 6.518 1.00 70.32 H new ATOM 0 HG21 VAL A 18 6.940 7.151 6.613 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.543 7.159 5.510 1.00 0.13 H new ATOM 0 HG23 VAL A 18 5.804 8.521 6.625 1.00 0.13 H new ATOM 271 N ILE A 19 1.814 5.558 8.090 1.00 53.10 N ATOM 272 CA ILE A 19 0.929 4.843 9.023 1.00 4.22 C ATOM 273 C ILE A 19 1.399 3.400 9.281 1.00 14.23 C ATOM 274 O ILE A 19 1.062 2.800 10.306 1.00 20.23 O ATOM 275 CB ILE A 19 -0.532 4.821 8.506 1.00 15.42 C ATOM 276 CG1 ILE A 19 -0.613 4.113 7.138 1.00 62.33 C ATOM 277 CG2 ILE A 19 -1.094 6.245 8.422 1.00 22.25 C ATOM 278 CD1 ILE A 19 -2.020 4.000 6.591 1.00 63.43 C ATOM 0 H ILE A 19 1.646 5.346 7.107 1.00 53.10 H new ATOM 0 HA ILE A 19 0.971 5.391 9.964 1.00 4.22 H new ATOM 0 HB ILE A 19 -1.141 4.258 9.213 1.00 15.42 H new ATOM 0 HG12 ILE A 19 0.003 4.656 6.421 1.00 62.33 H new ATOM 0 HG13 ILE A 19 -0.188 3.114 7.231 1.00 62.33 H new ATOM 0 HG21 ILE A 19 -2.121 6.210 8.057 1.00 22.25 H new ATOM 0 HG22 ILE A 19 -1.076 6.702 9.411 1.00 22.25 H new ATOM 0 HG23 ILE A 19 -0.486 6.836 7.738 1.00 22.25 H new ATOM 0 HD11 ILE A 19 -1.996 3.491 5.627 1.00 63.43 H new ATOM 0 HD12 ILE A 19 -2.636 3.430 7.287 1.00 63.43 H new ATOM 0 HD13 ILE A 19 -2.442 4.997 6.465 1.00 63.43 H new ATOM 290 N ARG A 20 2.167 2.843 8.341 1.00 23.34 N ATOM 291 CA ARG A 20 2.704 1.481 8.472 1.00 41.33 C ATOM 292 C ARG A 20 3.686 1.163 7.331 1.00 75.32 C ATOM 293 O ARG A 20 3.535 1.660 6.215 1.00 13.13 O ATOM 294 CB ARG A 20 1.562 0.444 8.483 1.00 60.31 C ATOM 295 CG ARG A 20 2.036 -1.001 8.646 1.00 71.41 C ATOM 296 CD ARG A 20 2.701 -1.244 9.999 1.00 71.34 C ATOM 297 NE ARG A 20 1.734 -1.292 11.093 1.00 41.32 N ATOM 298 CZ ARG A 20 1.801 -0.564 12.174 1.00 0.34 C ATOM 299 NH1 ARG A 20 2.718 0.341 12.307 1.00 32.24 N ATOM 300 NH2 ARG A 20 0.941 -0.743 13.124 1.00 43.20 N ATOM 0 H ARG A 20 2.433 3.315 7.477 1.00 23.34 H new ATOM 0 HA ARG A 20 3.241 1.426 9.419 1.00 41.33 H new ATOM 0 HB2 ARG A 20 0.875 0.684 9.294 1.00 60.31 H new ATOM 0 HB3 ARG A 20 0.999 0.528 7.553 1.00 60.31 H new ATOM 0 HG2 ARG A 20 1.186 -1.674 8.535 1.00 71.41 H new ATOM 0 HG3 ARG A 20 2.740 -1.242 7.849 1.00 71.41 H new ATOM 0 HD2 ARG A 20 3.255 -2.182 9.966 1.00 71.34 H new ATOM 0 HD3 ARG A 20 3.426 -0.453 10.192 1.00 71.34 H new ATOM 0 HE ARG A 20 0.951 -1.940 11.006 1.00 41.32 H new ATOM 0 HH11 ARG A 20 3.398 0.491 11.562 1.00 32.24 H new ATOM 0 HH12 ARG A 20 2.760 0.904 13.157 1.00 32.24 H new ATOM 0 HH21 ARG A 20 0.214 -1.451 13.027 1.00 43.20 H new ATOM 0 HH22 ARG A 20 0.990 -0.176 13.970 1.00 43.20 H new ATOM 314 N GLU A 21 4.694 0.338 7.616 1.00 61.22 N ATOM 315 CA GLU A 21 5.653 -0.096 6.590 1.00 30.33 C ATOM 316 C GLU A 21 5.853 -1.625 6.616 1.00 13.33 C ATOM 317 O GLU A 21 6.129 -2.215 7.663 1.00 64.42 O ATOM 318 CB GLU A 21 6.993 0.638 6.773 1.00 22.24 C ATOM 319 CG GLU A 21 7.621 0.479 8.153 1.00 21.22 C ATOM 320 CD GLU A 21 8.866 1.335 8.330 1.00 72.43 C ATOM 321 OE1 GLU A 21 8.738 2.505 8.749 1.00 34.23 O ATOM 322 OE2 GLU A 21 9.983 0.844 8.049 1.00 4.32 O ATOM 0 H GLU A 21 4.871 -0.044 8.545 1.00 61.22 H new ATOM 0 HA GLU A 21 5.245 0.161 5.612 1.00 30.33 H new ATOM 0 HB2 GLU A 21 7.697 0.274 6.024 1.00 22.24 H new ATOM 0 HB3 GLU A 21 6.840 1.699 6.578 1.00 22.24 H new ATOM 0 HG2 GLU A 21 6.889 0.747 8.915 1.00 21.22 H new ATOM 0 HG3 GLU A 21 7.878 -0.568 8.313 1.00 21.22 H new ATOM 329 N ILE A 22 5.690 -2.264 5.455 1.00 0.52 N ATOM 330 CA ILE A 22 5.806 -3.724 5.338 1.00 40.32 C ATOM 331 C ILE A 22 7.023 -4.125 4.482 1.00 1.25 C ATOM 332 O ILE A 22 7.085 -3.807 3.294 1.00 4.32 O ATOM 333 CB ILE A 22 4.526 -4.361 4.707 1.00 23.31 C ATOM 334 CG1 ILE A 22 3.288 -4.167 5.611 1.00 42.03 C ATOM 335 CG2 ILE A 22 4.745 -5.848 4.426 1.00 23.24 C ATOM 336 CD1 ILE A 22 2.719 -2.763 5.616 1.00 62.25 C ATOM 0 H ILE A 22 5.476 -1.792 4.576 1.00 0.52 H new ATOM 0 HA ILE A 22 5.931 -4.100 6.353 1.00 40.32 H new ATOM 0 HB ILE A 22 4.337 -3.847 3.765 1.00 23.31 H new ATOM 0 HG12 ILE A 22 2.509 -4.858 5.290 1.00 42.03 H new ATOM 0 HG13 ILE A 22 3.555 -4.439 6.632 1.00 42.03 H new ATOM 0 HG21 ILE A 22 3.842 -6.272 3.987 1.00 23.24 H new ATOM 0 HG22 ILE A 22 5.577 -5.968 3.732 1.00 23.24 H new ATOM 0 HG23 ILE A 22 4.972 -6.365 5.358 1.00 23.24 H new ATOM 0 HD11 ILE A 22 1.854 -2.723 6.278 1.00 62.25 H new ATOM 0 HD12 ILE A 22 3.478 -2.064 5.968 1.00 62.25 H new ATOM 0 HD13 ILE A 22 2.416 -2.490 4.605 1.00 62.25 H new ATOM 348 N PRO A 23 8.017 -4.818 5.075 1.00 54.31 N ATOM 349 CA PRO A 23 9.145 -5.380 4.312 1.00 35.21 C ATOM 350 C PRO A 23 8.685 -6.482 3.343 1.00 72.44 C ATOM 351 O PRO A 23 8.113 -7.490 3.765 1.00 13.33 O ATOM 352 CB PRO A 23 10.071 -5.962 5.397 1.00 50.13 C ATOM 353 CG PRO A 23 9.616 -5.338 6.678 1.00 13.44 C ATOM 354 CD PRO A 23 8.141 -5.088 6.515 1.00 3.44 C ATOM 0 HA PRO A 23 9.633 -4.630 3.689 1.00 35.21 H new ATOM 0 HB2 PRO A 23 9.994 -7.048 5.439 1.00 50.13 H new ATOM 0 HB3 PRO A 23 11.115 -5.724 5.192 1.00 50.13 H new ATOM 0 HG2 PRO A 23 9.809 -5.998 7.524 1.00 13.44 H new ATOM 0 HG3 PRO A 23 10.151 -4.408 6.871 1.00 13.44 H new ATOM 0 HD2 PRO A 23 7.548 -5.951 6.818 1.00 3.44 H new ATOM 0 HD3 PRO A 23 7.804 -4.243 7.116 1.00 3.44 H new ATOM 362 N LEU A 24 8.932 -6.286 2.049 1.00 22.34 N ATOM 363 CA LEU A 24 8.507 -7.248 1.026 1.00 41.22 C ATOM 364 C LEU A 24 9.470 -8.438 0.939 1.00 11.35 C ATOM 365 O LEU A 24 9.051 -9.596 0.944 1.00 22.10 O ATOM 366 CB LEU A 24 8.403 -6.555 -0.340 1.00 72.52 C ATOM 367 CG LEU A 24 7.404 -5.387 -0.416 1.00 54.45 C ATOM 368 CD1 LEU A 24 7.396 -4.778 -1.816 1.00 22.43 C ATOM 369 CD2 LEU A 24 6.001 -5.849 -0.018 1.00 45.30 C ATOM 0 H LEU A 24 9.424 -5.471 1.681 1.00 22.34 H new ATOM 0 HA LEU A 24 7.527 -7.630 1.313 1.00 41.22 H new ATOM 0 HB2 LEU A 24 9.390 -6.184 -0.616 1.00 72.52 H new ATOM 0 HB3 LEU A 24 8.122 -7.299 -1.085 1.00 72.52 H new ATOM 0 HG LEU A 24 7.721 -4.619 0.289 1.00 54.45 H new ATOM 0 HD11 LEU A 24 6.684 -3.954 -1.850 1.00 22.43 H new ATOM 0 HD12 LEU A 24 8.392 -4.407 -2.057 1.00 22.43 H new ATOM 0 HD13 LEU A 24 7.107 -5.538 -2.542 1.00 22.43 H new ATOM 0 HD21 LEU A 24 5.310 -5.008 -0.079 1.00 45.30 H new ATOM 0 HD22 LEU A 24 5.672 -6.638 -0.694 1.00 45.30 H new ATOM 0 HD23 LEU A 24 6.020 -6.231 1.003 1.00 45.30 H new ATOM 381 N THR A 25 10.763 -8.144 0.861 1.00 2.32 N ATOM 382 CA THR A 25 11.789 -9.187 0.760 1.00 70.52 C ATOM 383 C THR A 25 11.773 -10.120 1.974 1.00 2.41 C ATOM 384 O THR A 25 12.148 -9.727 3.082 1.00 43.43 O ATOM 385 CB THR A 25 13.201 -8.582 0.619 1.00 74.03 C ATOM 386 OG1 THR A 25 13.258 -7.739 -0.541 1.00 4.31 O ATOM 387 CG2 THR A 25 14.261 -9.675 0.514 1.00 22.23 C ATOM 0 H THR A 25 11.130 -7.192 0.865 1.00 2.32 H new ATOM 0 HA THR A 25 11.550 -9.761 -0.135 1.00 70.52 H new ATOM 0 HB THR A 25 13.407 -7.990 1.511 1.00 74.03 H new ATOM 0 HG1 THR A 25 13.681 -8.226 -1.279 1.00 4.31 H new ATOM 0 HG21 THR A 25 15.246 -9.218 0.416 1.00 22.23 H new ATOM 0 HG22 THR A 25 14.236 -10.294 1.411 1.00 22.23 H new ATOM 0 HG23 THR A 25 14.059 -10.295 -0.360 1.00 22.23 H new ATOM 395 N GLY A 26 11.347 -11.361 1.753 1.00 54.52 N ATOM 396 CA GLY A 26 11.284 -12.339 2.834 1.00 65.12 C ATOM 397 C GLY A 26 9.899 -12.462 3.462 1.00 73.34 C ATOM 398 O GLY A 26 9.706 -13.246 4.395 1.00 54.44 O ATOM 0 H GLY A 26 11.043 -11.710 0.844 1.00 54.52 H new ATOM 0 HA2 GLY A 26 11.588 -13.313 2.451 1.00 65.12 H new ATOM 0 HA3 GLY A 26 12.001 -12.062 3.606 1.00 65.12 H new ATOM 402 N HIS A 27 8.934 -11.695 2.960 1.00 5.20 N ATOM 403 CA HIS A 27 7.560 -11.765 3.466 1.00 41.14 C ATOM 404 C HIS A 27 6.883 -13.067 3.010 1.00 74.20 C ATOM 405 O HIS A 27 6.206 -13.106 1.980 1.00 43.43 O ATOM 406 CB HIS A 27 6.742 -10.547 3.012 1.00 23.51 C ATOM 407 CG HIS A 27 5.340 -10.531 3.546 1.00 64.34 C ATOM 408 ND1 HIS A 27 4.325 -11.302 3.017 1.00 71.44 N ATOM 409 CD2 HIS A 27 4.785 -9.841 4.573 1.00 33.25 C ATOM 410 CE1 HIS A 27 3.213 -11.088 3.691 1.00 53.21 C ATOM 411 NE2 HIS A 27 3.463 -10.207 4.638 1.00 72.41 N ATOM 0 H HIS A 27 9.074 -11.021 2.208 1.00 5.20 H new ATOM 0 HA HIS A 27 7.602 -11.758 4.555 1.00 41.14 H new ATOM 0 HB2 HIS A 27 7.253 -9.638 3.330 1.00 23.51 H new ATOM 0 HB3 HIS A 27 6.707 -10.529 1.923 1.00 23.51 H new ATOM 0 HD2 HIS A 27 5.288 -9.136 5.218 1.00 33.25 H new ATOM 0 HE1 HIS A 27 2.259 -11.556 3.499 1.00 53.21 H new ATOM 0 HE2 HIS A 27 2.784 -9.853 5.312 1.00 72.41 H new ATOM 420 N LYS A 28 7.076 -14.129 3.784 1.00 61.04 N ATOM 421 CA LYS A 28 6.556 -15.452 3.428 1.00 54.05 C ATOM 422 C LYS A 28 5.027 -15.537 3.605 1.00 1.42 C ATOM 423 O LYS A 28 4.504 -15.406 4.715 1.00 63.15 O ATOM 424 CB LYS A 28 7.268 -16.537 4.259 1.00 72.33 C ATOM 425 CG LYS A 28 7.230 -16.302 5.769 1.00 0.10 C ATOM 426 CD LYS A 28 7.994 -17.380 6.539 1.00 24.40 C ATOM 427 CE LYS A 28 9.477 -17.402 6.181 1.00 41.41 C ATOM 428 NZ LYS A 28 10.223 -18.439 6.949 1.00 34.23 N ATOM 0 H LYS A 28 7.590 -14.103 4.665 1.00 61.04 H new ATOM 0 HA LYS A 28 6.762 -15.621 2.371 1.00 54.05 H new ATOM 0 HB2 LYS A 28 6.810 -17.502 4.042 1.00 72.33 H new ATOM 0 HB3 LYS A 28 8.308 -16.598 3.939 1.00 72.33 H new ATOM 0 HG2 LYS A 28 7.657 -15.325 5.994 1.00 0.10 H new ATOM 0 HG3 LYS A 28 6.194 -16.282 6.106 1.00 0.10 H new ATOM 0 HD2 LYS A 28 7.883 -17.207 7.609 1.00 24.40 H new ATOM 0 HD3 LYS A 28 7.556 -18.355 6.326 1.00 24.40 H new ATOM 0 HE2 LYS A 28 9.589 -17.591 5.113 1.00 41.41 H new ATOM 0 HE3 LYS A 28 9.912 -16.422 6.378 1.00 41.41 H new ATOM 0 HZ1 LYS A 28 11.226 -18.419 6.675 1.00 34.23 H new ATOM 0 HZ2 LYS A 28 10.138 -18.245 7.967 1.00 34.23 H new ATOM 0 HZ3 LYS A 28 9.826 -19.377 6.741 1.00 34.23 H new ATOM 442 N GLY A 29 4.317 -15.741 2.494 1.00 42.22 N ATOM 443 CA GLY A 29 2.865 -15.890 2.537 1.00 33.34 C ATOM 444 C GLY A 29 2.101 -14.668 2.031 1.00 54.20 C ATOM 445 O GLY A 29 2.673 -13.762 1.418 1.00 34.20 O ATOM 0 H GLY A 29 4.722 -15.806 1.560 1.00 42.22 H new ATOM 0 HA2 GLY A 29 2.581 -16.756 1.940 1.00 33.34 H new ATOM 0 HA3 GLY A 29 2.561 -16.097 3.563 1.00 33.34 H new ATOM 449 N ASN A 30 0.798 -14.642 2.307 1.00 64.42 N ATOM 450 CA ASN A 30 -0.084 -13.546 1.880 1.00 74.34 C ATOM 451 C ASN A 30 -0.667 -12.820 3.102 1.00 63.32 C ATOM 452 O ASN A 30 -1.086 -13.453 4.073 1.00 72.43 O ATOM 453 CB ASN A 30 -1.217 -14.108 1.002 1.00 60.34 C ATOM 454 CG ASN A 30 -2.192 -13.040 0.527 1.00 2.04 C ATOM 455 OD1 ASN A 30 -3.155 -12.710 1.216 1.00 71.25 O ATOM 456 ND2 ASN A 30 -1.966 -12.507 -0.655 1.00 1.22 N ATOM 0 H ASN A 30 0.321 -15.376 2.831 1.00 64.42 H new ATOM 0 HA ASN A 30 0.496 -12.828 1.300 1.00 74.34 H new ATOM 0 HB2 ASN A 30 -0.783 -14.606 0.135 1.00 60.34 H new ATOM 0 HB3 ASN A 30 -1.763 -14.865 1.565 1.00 60.34 H new ATOM 0 HD21 ASN A 30 -2.599 -11.798 -1.024 1.00 1.22 H new ATOM 0 HD22 ASN A 30 -1.157 -12.803 -1.202 1.00 1.22 H new ATOM 463 N GLU A 31 -0.688 -11.490 3.053 1.00 0.32 N ATOM 464 CA GLU A 31 -1.188 -10.675 4.172 1.00 32.13 C ATOM 465 C GLU A 31 -1.892 -9.404 3.675 1.00 22.32 C ATOM 466 O GLU A 31 -1.352 -8.662 2.859 1.00 13.44 O ATOM 467 CB GLU A 31 -0.024 -10.316 5.109 1.00 15.41 C ATOM 468 CG GLU A 31 -0.394 -9.374 6.254 1.00 24.10 C ATOM 469 CD GLU A 31 0.766 -9.137 7.209 1.00 1.31 C ATOM 470 OE1 GLU A 31 1.886 -8.841 6.734 1.00 53.53 O ATOM 471 OE2 GLU A 31 0.567 -9.248 8.437 1.00 33.31 O ATOM 0 H GLU A 31 -0.365 -10.947 2.252 1.00 0.32 H new ATOM 0 HA GLU A 31 -1.926 -11.261 4.720 1.00 32.13 H new ATOM 0 HB2 GLU A 31 0.383 -11.236 5.530 1.00 15.41 H new ATOM 0 HB3 GLU A 31 0.770 -9.856 4.520 1.00 15.41 H new ATOM 0 HG2 GLU A 31 -0.724 -8.420 5.843 1.00 24.10 H new ATOM 0 HG3 GLU A 31 -1.236 -9.791 6.806 1.00 24.10 H new ATOM 478 N GLN A 32 -3.101 -9.156 4.178 1.00 14.55 N ATOM 479 CA GLN A 32 -3.907 -8.005 3.748 1.00 1.35 C ATOM 480 C GLN A 32 -4.260 -7.089 4.931 1.00 51.43 C ATOM 481 O GLN A 32 -4.432 -7.556 6.055 1.00 73.44 O ATOM 482 CB GLN A 32 -5.194 -8.500 3.078 1.00 34.54 C ATOM 483 CG GLN A 32 -4.958 -9.337 1.824 1.00 10.53 C ATOM 484 CD GLN A 32 -6.220 -10.024 1.336 1.00 62.12 C ATOM 485 OE1 GLN A 32 -7.328 -9.540 1.538 1.00 12.54 O ATOM 486 NE2 GLN A 32 -6.062 -11.153 0.672 1.00 3.14 N ATOM 0 H GLN A 32 -3.549 -9.737 4.887 1.00 14.55 H new ATOM 0 HA GLN A 32 -3.316 -7.426 3.038 1.00 1.35 H new ATOM 0 HB2 GLN A 32 -5.761 -9.092 3.796 1.00 34.54 H new ATOM 0 HB3 GLN A 32 -5.810 -7.639 2.817 1.00 34.54 H new ATOM 0 HG2 GLN A 32 -4.568 -8.697 1.033 1.00 10.53 H new ATOM 0 HG3 GLN A 32 -4.196 -10.089 2.031 1.00 10.53 H new ATOM 0 HE21 GLN A 32 -5.126 -11.529 0.521 1.00 3.14 H new ATOM 0 HE22 GLN A 32 -6.876 -11.650 0.310 1.00 3.14 H new ATOM 495 N PHE A 33 -4.366 -5.785 4.668 1.00 61.52 N ATOM 496 CA PHE A 33 -4.779 -4.817 5.695 1.00 35.20 C ATOM 497 C PHE A 33 -5.564 -3.647 5.077 1.00 14.20 C ATOM 498 O PHE A 33 -5.269 -3.202 3.967 1.00 71.22 O ATOM 499 CB PHE A 33 -3.561 -4.294 6.483 1.00 33.34 C ATOM 500 CG PHE A 33 -2.518 -3.581 5.650 1.00 24.52 C ATOM 501 CD1 PHE A 33 -1.540 -4.300 4.975 1.00 65.23 C ATOM 502 CD2 PHE A 33 -2.507 -2.194 5.554 1.00 60.34 C ATOM 503 CE1 PHE A 33 -0.579 -3.653 4.224 1.00 12.21 C ATOM 504 CE2 PHE A 33 -1.548 -1.544 4.801 1.00 61.11 C ATOM 505 CZ PHE A 33 -0.583 -2.275 4.136 1.00 23.10 C ATOM 0 H PHE A 33 -4.173 -5.372 3.756 1.00 61.52 H new ATOM 0 HA PHE A 33 -5.439 -5.337 6.389 1.00 35.20 H new ATOM 0 HB2 PHE A 33 -3.914 -3.613 7.257 1.00 33.34 H new ATOM 0 HB3 PHE A 33 -3.087 -5.135 6.990 1.00 33.34 H new ATOM 0 HD1 PHE A 33 -1.531 -5.378 5.038 1.00 65.23 H new ATOM 0 HD2 PHE A 33 -3.257 -1.617 6.074 1.00 60.34 H new ATOM 0 HE1 PHE A 33 0.176 -4.225 3.705 1.00 12.21 H new ATOM 0 HE2 PHE A 33 -1.553 -0.466 4.733 1.00 61.11 H new ATOM 0 HZ PHE A 33 0.168 -1.769 3.547 1.00 23.10 H new ATOM 515 N THR A 34 -6.569 -3.155 5.800 1.00 32.14 N ATOM 516 CA THR A 34 -7.436 -2.078 5.300 1.00 61.54 C ATOM 517 C THR A 34 -7.096 -0.719 5.930 1.00 13.23 C ATOM 518 O THR A 34 -7.044 -0.578 7.154 1.00 63.42 O ATOM 519 CB THR A 34 -8.931 -2.389 5.566 1.00 60.25 C ATOM 520 OG1 THR A 34 -9.305 -3.604 4.901 1.00 33.03 O ATOM 521 CG2 THR A 34 -9.834 -1.252 5.089 1.00 65.51 C ATOM 0 H THR A 34 -6.807 -3.483 6.736 1.00 32.14 H new ATOM 0 HA THR A 34 -7.257 -2.022 4.226 1.00 61.54 H new ATOM 0 HB THR A 34 -9.059 -2.500 6.643 1.00 60.25 H new ATOM 0 HG1 THR A 34 -10.250 -3.795 5.075 1.00 33.03 H new ATOM 0 HG21 THR A 34 -10.875 -1.505 5.292 1.00 65.51 H new ATOM 0 HG22 THR A 34 -9.574 -0.335 5.617 1.00 65.51 H new ATOM 0 HG23 THR A 34 -9.698 -1.105 4.018 1.00 65.51 H new ATOM 529 N ILE A 35 -6.864 0.276 5.083 1.00 31.14 N ATOM 530 CA ILE A 35 -6.626 1.652 5.528 1.00 34.32 C ATOM 531 C ILE A 35 -7.948 2.434 5.604 1.00 10.22 C ATOM 532 O ILE A 35 -8.758 2.380 4.678 1.00 55.35 O ATOM 533 CB ILE A 35 -5.662 2.381 4.562 1.00 43.43 C ATOM 534 CG1 ILE A 35 -4.355 1.583 4.407 1.00 25.34 C ATOM 535 CG2 ILE A 35 -5.379 3.803 5.049 1.00 51.42 C ATOM 536 CD1 ILE A 35 -3.390 2.183 3.406 1.00 42.22 C ATOM 0 H ILE A 35 -6.835 0.157 4.070 1.00 31.14 H new ATOM 0 HA ILE A 35 -6.176 1.606 6.520 1.00 34.32 H new ATOM 0 HB ILE A 35 -6.139 2.451 3.585 1.00 43.43 H new ATOM 0 HG12 ILE A 35 -3.863 1.516 5.377 1.00 25.34 H new ATOM 0 HG13 ILE A 35 -4.596 0.565 4.101 1.00 25.34 H new ATOM 0 HG21 ILE A 35 -4.699 4.297 4.355 1.00 51.42 H new ATOM 0 HG22 ILE A 35 -6.313 4.362 5.102 1.00 51.42 H new ATOM 0 HG23 ILE A 35 -4.923 3.765 6.038 1.00 51.42 H new ATOM 0 HD11 ILE A 35 -2.493 1.566 3.351 1.00 42.22 H new ATOM 0 HD12 ILE A 35 -3.863 2.224 2.425 1.00 42.22 H new ATOM 0 HD13 ILE A 35 -3.119 3.191 3.721 1.00 42.22 H new ATOM 548 N LYS A 36 -8.167 3.144 6.708 1.00 53.41 N ATOM 549 CA LYS A 36 -9.386 3.946 6.894 1.00 55.05 C ATOM 550 C LYS A 36 -9.115 5.438 6.639 1.00 62.44 C ATOM 551 O LYS A 36 -8.218 6.033 7.242 1.00 31.43 O ATOM 552 CB LYS A 36 -9.964 3.745 8.308 1.00 15.23 C ATOM 553 CG LYS A 36 -10.704 2.417 8.510 1.00 42.40 C ATOM 554 CD LYS A 36 -9.786 1.199 8.406 1.00 64.21 C ATOM 555 CE LYS A 36 -8.704 1.202 9.481 1.00 60.43 C ATOM 556 NZ LYS A 36 -9.276 1.189 10.853 1.00 1.34 N ATOM 0 H LYS A 36 -7.517 3.184 7.493 1.00 53.41 H new ATOM 0 HA LYS A 36 -10.120 3.603 6.165 1.00 55.05 H new ATOM 0 HB2 LYS A 36 -9.151 3.807 9.031 1.00 15.23 H new ATOM 0 HB3 LYS A 36 -10.648 4.565 8.527 1.00 15.23 H new ATOM 0 HG2 LYS A 36 -11.184 2.420 9.488 1.00 42.40 H new ATOM 0 HG3 LYS A 36 -11.496 2.332 7.766 1.00 42.40 H new ATOM 0 HD2 LYS A 36 -10.380 0.289 8.493 1.00 64.21 H new ATOM 0 HD3 LYS A 36 -9.318 1.181 7.422 1.00 64.21 H new ATOM 0 HE2 LYS A 36 -8.061 0.332 9.349 1.00 60.43 H new ATOM 0 HE3 LYS A 36 -8.076 2.084 9.359 1.00 60.43 H new ATOM 0 HZ1 LYS A 36 -8.520 1.004 11.543 1.00 1.34 H new ATOM 0 HZ2 LYS A 36 -9.712 2.111 11.056 1.00 1.34 H new ATOM 0 HZ3 LYS A 36 -9.997 0.442 10.922 1.00 1.34 H new ATOM 570 N GLY A 37 -9.900 6.036 5.749 1.00 23.35 N ATOM 571 CA GLY A 37 -9.700 7.434 5.380 1.00 10.52 C ATOM 572 C GLY A 37 -10.836 8.355 5.815 1.00 13.14 C ATOM 573 O GLY A 37 -11.662 7.991 6.654 1.00 25.32 O ATOM 0 H GLY A 37 -10.677 5.578 5.272 1.00 23.35 H new ATOM 0 HA2 GLY A 37 -8.769 7.787 5.823 1.00 10.52 H new ATOM 0 HA3 GLY A 37 -9.584 7.501 4.298 1.00 10.52 H new ATOM 577 N LYS A 38 -10.866 9.557 5.240 1.00 33.20 N ATOM 578 CA LYS A 38 -11.887 10.561 5.569 1.00 52.20 C ATOM 579 C LYS A 38 -13.311 10.048 5.291 1.00 14.24 C ATOM 580 O LYS A 38 -13.690 9.825 4.139 1.00 40.35 O ATOM 581 CB LYS A 38 -11.640 11.844 4.760 1.00 72.33 C ATOM 582 CG LYS A 38 -10.218 12.385 4.869 1.00 74.44 C ATOM 583 CD LYS A 38 -10.026 13.652 4.037 1.00 0.04 C ATOM 584 CE LYS A 38 -10.844 14.821 4.574 1.00 14.41 C ATOM 585 NZ LYS A 38 -10.426 15.203 5.948 1.00 32.33 N ATOM 0 H LYS A 38 -10.192 9.864 4.539 1.00 33.20 H new ATOM 0 HA LYS A 38 -11.807 10.769 6.636 1.00 52.20 H new ATOM 0 HB2 LYS A 38 -11.863 11.648 3.711 1.00 72.33 H new ATOM 0 HB3 LYS A 38 -12.336 12.612 5.096 1.00 72.33 H new ATOM 0 HG2 LYS A 38 -9.990 12.598 5.913 1.00 74.44 H new ATOM 0 HG3 LYS A 38 -9.513 11.623 4.538 1.00 74.44 H new ATOM 0 HD2 LYS A 38 -8.970 13.923 4.028 1.00 0.04 H new ATOM 0 HD3 LYS A 38 -10.313 13.454 3.004 1.00 0.04 H new ATOM 0 HE2 LYS A 38 -10.733 15.678 3.909 1.00 14.41 H new ATOM 0 HE3 LYS A 38 -11.901 14.554 4.577 1.00 14.41 H new ATOM 0 HZ1 LYS A 38 -10.827 16.132 6.187 1.00 32.33 H new ATOM 0 HZ2 LYS A 38 -10.769 14.493 6.625 1.00 32.33 H new ATOM 0 HZ3 LYS A 38 -9.388 15.252 5.994 1.00 32.33 H new ATOM 599 N GLY A 39 -14.097 9.867 6.350 1.00 13.44 N ATOM 600 CA GLY A 39 -15.478 9.420 6.200 1.00 32.31 C ATOM 601 C GLY A 39 -15.598 7.933 5.873 1.00 13.22 C ATOM 602 O GLY A 39 -15.070 7.086 6.596 1.00 41.12 O ATOM 0 H GLY A 39 -13.803 10.022 7.314 1.00 13.44 H new ATOM 0 HA2 GLY A 39 -16.022 9.628 7.121 1.00 32.31 H new ATOM 0 HA3 GLY A 39 -15.956 9.999 5.410 1.00 32.31 H new ATOM 606 N ALA A 40 -16.291 7.615 4.779 1.00 23.45 N ATOM 607 CA ALA A 40 -16.518 6.220 4.371 1.00 22.11 C ATOM 608 C ALA A 40 -15.418 5.704 3.425 1.00 10.45 C ATOM 609 O ALA A 40 -15.534 4.624 2.847 1.00 12.31 O ATOM 610 CB ALA A 40 -17.890 6.091 3.715 1.00 51.10 C ATOM 0 H ALA A 40 -16.708 8.305 4.154 1.00 23.45 H new ATOM 0 HA ALA A 40 -16.483 5.602 5.268 1.00 22.11 H new ATOM 0 HB1 ALA A 40 -18.054 5.056 3.414 1.00 51.10 H new ATOM 0 HB2 ALA A 40 -18.662 6.389 4.424 1.00 51.10 H new ATOM 0 HB3 ALA A 40 -17.936 6.735 2.837 1.00 51.10 H new ATOM 616 N GLN A 41 -14.346 6.479 3.277 1.00 25.53 N ATOM 617 CA GLN A 41 -13.216 6.095 2.423 1.00 32.14 C ATOM 618 C GLN A 41 -12.367 4.989 3.072 1.00 1.44 C ATOM 619 O GLN A 41 -12.022 5.074 4.249 1.00 52.33 O ATOM 620 CB GLN A 41 -12.333 7.324 2.141 1.00 0.03 C ATOM 621 CG GLN A 41 -13.047 8.447 1.388 1.00 54.12 C ATOM 622 CD GLN A 41 -13.322 8.114 -0.071 1.00 22.22 C ATOM 623 OE1 GLN A 41 -13.502 6.960 -0.439 1.00 63.33 O ATOM 624 NE2 GLN A 41 -13.367 9.125 -0.910 1.00 75.35 N ATOM 0 H GLN A 41 -14.233 7.382 3.738 1.00 25.53 H new ATOM 0 HA GLN A 41 -13.621 5.707 1.488 1.00 32.14 H new ATOM 0 HB2 GLN A 41 -11.961 7.715 3.088 1.00 0.03 H new ATOM 0 HB3 GLN A 41 -11.464 7.009 1.563 1.00 0.03 H new ATOM 0 HG2 GLN A 41 -13.991 8.667 1.887 1.00 54.12 H new ATOM 0 HG3 GLN A 41 -12.441 9.352 1.439 1.00 54.12 H new ATOM 0 HE21 GLN A 41 -13.213 10.075 -0.572 1.00 75.35 H new ATOM 0 HE22 GLN A 41 -13.556 8.959 -1.899 1.00 75.35 H new ATOM 633 N TYR A 42 -12.039 3.951 2.301 1.00 44.51 N ATOM 634 CA TYR A 42 -11.130 2.894 2.772 1.00 13.34 C ATOM 635 C TYR A 42 -10.126 2.499 1.678 1.00 64.54 C ATOM 636 O TYR A 42 -10.208 2.971 0.543 1.00 24.24 O ATOM 637 CB TYR A 42 -11.919 1.657 3.240 1.00 10.04 C ATOM 638 CG TYR A 42 -12.562 0.851 2.122 1.00 61.25 C ATOM 639 CD1 TYR A 42 -13.848 1.136 1.677 1.00 2.50 C ATOM 640 CD2 TYR A 42 -11.882 -0.204 1.518 1.00 12.14 C ATOM 641 CE1 TYR A 42 -14.434 0.398 0.664 1.00 0.21 C ATOM 642 CE2 TYR A 42 -12.459 -0.945 0.508 1.00 60.12 C ATOM 643 CZ TYR A 42 -13.734 -0.641 0.083 1.00 33.33 C ATOM 644 OH TYR A 42 -14.311 -1.375 -0.930 1.00 30.23 O ATOM 0 H TYR A 42 -12.385 3.816 1.351 1.00 44.51 H new ATOM 0 HA TYR A 42 -10.574 3.293 3.621 1.00 13.34 H new ATOM 0 HB2 TYR A 42 -11.248 1.005 3.799 1.00 10.04 H new ATOM 0 HB3 TYR A 42 -12.698 1.980 3.931 1.00 10.04 H new ATOM 0 HD1 TYR A 42 -14.399 1.947 2.130 1.00 2.50 H new ATOM 0 HD2 TYR A 42 -10.882 -0.447 1.847 1.00 12.14 H new ATOM 0 HE1 TYR A 42 -15.434 0.633 0.329 1.00 0.21 H new ATOM 0 HE2 TYR A 42 -11.915 -1.759 0.053 1.00 60.12 H new ATOM 0 HH TYR A 42 -14.025 -2.310 -0.860 1.00 30.23 H new ATOM 654 N ASN A 43 -9.175 1.633 2.020 1.00 63.04 N ATOM 655 CA ASN A 43 -8.196 1.143 1.043 1.00 2.25 C ATOM 656 C ASN A 43 -7.690 -0.260 1.424 1.00 50.14 C ATOM 657 O ASN A 43 -6.960 -0.418 2.401 1.00 0.12 O ATOM 658 CB ASN A 43 -7.017 2.131 0.954 1.00 35.54 C ATOM 659 CG ASN A 43 -6.183 1.976 -0.306 1.00 54.51 C ATOM 660 OD1 ASN A 43 -4.981 2.199 -0.298 1.00 51.52 O ATOM 661 ND2 ASN A 43 -6.817 1.637 -1.410 1.00 61.24 N ATOM 0 H ASN A 43 -9.059 1.256 2.960 1.00 63.04 H new ATOM 0 HA ASN A 43 -8.681 1.070 0.070 1.00 2.25 H new ATOM 0 HB2 ASN A 43 -7.404 3.149 1.000 1.00 35.54 H new ATOM 0 HB3 ASN A 43 -6.374 1.995 1.824 1.00 35.54 H new ATOM 0 HD21 ASN A 43 -6.304 1.555 -2.288 1.00 61.24 H new ATOM 0 HD22 ASN A 43 -7.821 1.457 -1.387 1.00 61.24 H new ATOM 668 N LEU A 44 -8.081 -1.274 0.656 1.00 45.52 N ATOM 669 CA LEU A 44 -7.666 -2.657 0.934 1.00 15.01 C ATOM 670 C LEU A 44 -6.312 -2.971 0.281 1.00 55.31 C ATOM 671 O LEU A 44 -6.222 -3.157 -0.934 1.00 32.02 O ATOM 672 CB LEU A 44 -8.733 -3.650 0.443 1.00 12.13 C ATOM 673 CG LEU A 44 -8.411 -5.138 0.674 1.00 32.41 C ATOM 674 CD1 LEU A 44 -8.233 -5.432 2.161 1.00 32.32 C ATOM 675 CD2 LEU A 44 -9.501 -6.028 0.077 1.00 34.15 C ATOM 0 H LEU A 44 -8.682 -1.171 -0.162 1.00 45.52 H new ATOM 0 HA LEU A 44 -7.557 -2.762 2.013 1.00 15.01 H new ATOM 0 HB2 LEU A 44 -9.675 -3.419 0.940 1.00 12.13 H new ATOM 0 HB3 LEU A 44 -8.888 -3.491 -0.624 1.00 12.13 H new ATOM 0 HG LEU A 44 -7.472 -5.361 0.168 1.00 32.41 H new ATOM 0 HD11 LEU A 44 -8.006 -6.489 2.298 1.00 32.32 H new ATOM 0 HD12 LEU A 44 -7.413 -4.831 2.555 1.00 32.32 H new ATOM 0 HD13 LEU A 44 -9.152 -5.186 2.693 1.00 32.32 H new ATOM 0 HD21 LEU A 44 -9.252 -7.075 0.252 1.00 34.15 H new ATOM 0 HD22 LEU A 44 -10.457 -5.798 0.548 1.00 34.15 H new ATOM 0 HD23 LEU A 44 -9.572 -5.846 -0.995 1.00 34.15 H new ATOM 687 N MET A 45 -5.266 -3.026 1.099 1.00 44.21 N ATOM 688 CA MET A 45 -3.910 -3.310 0.621 1.00 12.24 C ATOM 689 C MET A 45 -3.576 -4.804 0.763 1.00 2.22 C ATOM 690 O MET A 45 -3.855 -5.414 1.798 1.00 60.32 O ATOM 691 CB MET A 45 -2.897 -2.477 1.412 1.00 25.12 C ATOM 692 CG MET A 45 -3.168 -0.979 1.365 1.00 62.13 C ATOM 693 SD MET A 45 -3.018 -0.297 -0.293 1.00 72.13 S ATOM 694 CE MET A 45 -1.271 -0.539 -0.613 1.00 5.43 C ATOM 0 H MET A 45 -5.329 -2.877 2.106 1.00 44.21 H new ATOM 0 HA MET A 45 -3.857 -3.046 -0.435 1.00 12.24 H new ATOM 0 HB2 MET A 45 -2.902 -2.806 2.451 1.00 25.12 H new ATOM 0 HB3 MET A 45 -1.898 -2.669 1.021 1.00 25.12 H new ATOM 0 HG2 MET A 45 -4.171 -0.783 1.744 1.00 62.13 H new ATOM 0 HG3 MET A 45 -2.471 -0.467 2.028 1.00 62.13 H new ATOM 0 HE1 MET A 45 -0.960 0.102 -1.438 1.00 5.43 H new ATOM 0 HE2 MET A 45 -0.699 -0.285 0.279 1.00 5.43 H new ATOM 0 HE3 MET A 45 -1.090 -1.581 -0.875 1.00 5.43 H new ATOM 704 N GLU A 46 -2.972 -5.386 -0.273 1.00 23.31 N ATOM 705 CA GLU A 46 -2.611 -6.810 -0.261 1.00 5.25 C ATOM 706 C GLU A 46 -1.111 -7.025 -0.520 1.00 22.53 C ATOM 707 O GLU A 46 -0.552 -6.522 -1.497 1.00 44.34 O ATOM 708 CB GLU A 46 -3.441 -7.585 -1.300 1.00 72.31 C ATOM 709 CG GLU A 46 -3.031 -9.051 -1.449 1.00 71.55 C ATOM 710 CD GLU A 46 -3.985 -9.851 -2.322 1.00 61.30 C ATOM 711 OE1 GLU A 46 -4.108 -9.533 -3.523 1.00 15.05 O ATOM 712 OE2 GLU A 46 -4.631 -10.786 -1.802 1.00 54.42 O ATOM 0 H GLU A 46 -2.721 -4.897 -1.132 1.00 23.31 H new ATOM 0 HA GLU A 46 -2.834 -7.191 0.735 1.00 5.25 H new ATOM 0 HB2 GLU A 46 -4.493 -7.539 -1.019 1.00 72.31 H new ATOM 0 HB3 GLU A 46 -3.348 -7.091 -2.267 1.00 72.31 H new ATOM 0 HG2 GLU A 46 -2.029 -9.100 -1.876 1.00 71.55 H new ATOM 0 HG3 GLU A 46 -2.980 -9.510 -0.462 1.00 71.55 H new ATOM 719 N VAL A 47 -0.466 -7.774 0.371 1.00 3.41 N ATOM 720 CA VAL A 47 0.942 -8.139 0.217 1.00 5.30 C ATOM 721 C VAL A 47 1.085 -9.651 -0.031 1.00 11.14 C ATOM 722 O VAL A 47 0.878 -10.461 0.879 1.00 0.40 O ATOM 723 CB VAL A 47 1.759 -7.752 1.478 1.00 41.14 C ATOM 724 CG1 VAL A 47 3.247 -8.041 1.277 1.00 54.43 C ATOM 725 CG2 VAL A 47 1.531 -6.286 1.851 1.00 61.20 C ATOM 0 H VAL A 47 -0.901 -8.144 1.216 1.00 3.41 H new ATOM 0 HA VAL A 47 1.331 -7.591 -0.641 1.00 5.30 H new ATOM 0 HB VAL A 47 1.407 -8.367 2.306 1.00 41.14 H new ATOM 0 HG11 VAL A 47 3.797 -7.761 2.176 1.00 54.43 H new ATOM 0 HG12 VAL A 47 3.388 -9.104 1.082 1.00 54.43 H new ATOM 0 HG13 VAL A 47 3.618 -7.464 0.430 1.00 54.43 H new ATOM 0 HG21 VAL A 47 2.115 -6.041 2.738 1.00 61.20 H new ATOM 0 HG22 VAL A 47 1.842 -5.648 1.024 1.00 61.20 H new ATOM 0 HG23 VAL A 47 0.473 -6.123 2.057 1.00 61.20 H new ATOM 735 N ASP A 48 1.426 -10.032 -1.258 1.00 44.51 N ATOM 736 CA ASP A 48 1.591 -11.444 -1.611 1.00 70.02 C ATOM 737 C ASP A 48 3.062 -11.755 -1.916 1.00 44.45 C ATOM 738 O ASP A 48 3.617 -11.270 -2.903 1.00 51.44 O ATOM 739 CB ASP A 48 0.703 -11.790 -2.815 1.00 31.22 C ATOM 740 CG ASP A 48 0.661 -13.282 -3.102 1.00 31.15 C ATOM 741 OD1 ASP A 48 -0.155 -13.989 -2.475 1.00 13.20 O ATOM 742 OD2 ASP A 48 1.434 -13.757 -3.964 1.00 52.41 O ATOM 0 H ASP A 48 1.594 -9.384 -2.028 1.00 44.51 H new ATOM 0 HA ASP A 48 1.285 -12.057 -0.763 1.00 70.02 H new ATOM 0 HB2 ASP A 48 -0.309 -11.431 -2.630 1.00 31.22 H new ATOM 0 HB3 ASP A 48 1.071 -11.265 -3.696 1.00 31.22 H new ATOM 747 N GLY A 49 3.691 -12.551 -1.059 1.00 64.33 N ATOM 748 CA GLY A 49 5.105 -12.861 -1.224 1.00 24.32 C ATOM 749 C GLY A 49 5.993 -11.625 -1.098 1.00 55.25 C ATOM 750 O GLY A 49 5.968 -10.932 -0.079 1.00 24.01 O ATOM 0 H GLY A 49 3.249 -12.989 -0.251 1.00 64.33 H new ATOM 0 HA2 GLY A 49 5.402 -13.596 -0.476 1.00 24.32 H new ATOM 0 HA3 GLY A 49 5.262 -13.319 -2.201 1.00 24.32 H new ATOM 754 N GLU A 50 6.764 -11.330 -2.146 1.00 70.34 N ATOM 755 CA GLU A 50 7.685 -10.183 -2.134 1.00 72.34 C ATOM 756 C GLU A 50 7.162 -9.022 -3.010 1.00 13.04 C ATOM 757 O GLU A 50 7.941 -8.191 -3.492 1.00 64.44 O ATOM 758 CB GLU A 50 9.077 -10.626 -2.615 1.00 0.22 C ATOM 759 CG GLU A 50 9.693 -11.757 -1.792 1.00 44.44 C ATOM 760 CD GLU A 50 11.126 -12.076 -2.202 1.00 11.34 C ATOM 761 OE1 GLU A 50 11.322 -12.717 -3.255 1.00 34.31 O ATOM 762 OE2 GLU A 50 12.064 -11.678 -1.480 1.00 11.32 O ATOM 0 H GLU A 50 6.772 -11.866 -3.014 1.00 70.34 H new ATOM 0 HA GLU A 50 7.754 -9.818 -1.109 1.00 72.34 H new ATOM 0 HB2 GLU A 50 9.005 -10.946 -3.655 1.00 0.22 H new ATOM 0 HB3 GLU A 50 9.748 -9.767 -2.591 1.00 0.22 H new ATOM 0 HG2 GLU A 50 9.675 -11.484 -0.737 1.00 44.44 H new ATOM 0 HG3 GLU A 50 9.082 -12.653 -1.900 1.00 44.44 H new ATOM 769 N ARG A 51 5.841 -8.955 -3.191 1.00 32.14 N ATOM 770 CA ARG A 51 5.209 -7.883 -3.977 1.00 55.14 C ATOM 771 C ARG A 51 3.889 -7.410 -3.341 1.00 22.21 C ATOM 772 O ARG A 51 3.139 -8.200 -2.764 1.00 23.15 O ATOM 773 CB ARG A 51 4.976 -8.347 -5.427 1.00 2.02 C ATOM 774 CG ARG A 51 4.422 -9.765 -5.550 1.00 63.31 C ATOM 775 CD ARG A 51 4.216 -10.173 -7.009 1.00 35.04 C ATOM 776 NE ARG A 51 4.005 -11.614 -7.146 1.00 11.01 N ATOM 777 CZ ARG A 51 2.863 -12.174 -7.440 1.00 62.30 C ATOM 778 NH1 ARG A 51 1.808 -11.460 -7.655 1.00 10.44 N ATOM 779 NH2 ARG A 51 2.781 -13.459 -7.529 1.00 12.24 N ATOM 0 H ARG A 51 5.183 -9.631 -2.804 1.00 32.14 H new ATOM 0 HA ARG A 51 5.891 -7.033 -3.984 1.00 55.14 H new ATOM 0 HB2 ARG A 51 4.286 -7.656 -5.911 1.00 2.02 H new ATOM 0 HB3 ARG A 51 5.919 -8.289 -5.971 1.00 2.02 H new ATOM 0 HG2 ARG A 51 5.107 -10.465 -5.071 1.00 63.31 H new ATOM 0 HG3 ARG A 51 3.473 -9.831 -5.017 1.00 63.31 H new ATOM 0 HD2 ARG A 51 3.358 -9.640 -7.418 1.00 35.04 H new ATOM 0 HD3 ARG A 51 5.085 -9.876 -7.596 1.00 35.04 H new ATOM 0 HE ARG A 51 4.808 -12.226 -7.001 1.00 11.01 H new ATOM 0 HH11 ARG A 51 1.860 -10.443 -7.596 1.00 10.44 H new ATOM 0 HH12 ARG A 51 0.923 -11.913 -7.884 1.00 10.44 H new ATOM 0 HH21 ARG A 51 3.608 -14.035 -7.370 1.00 12.24 H new ATOM 0 HH22 ARG A 51 1.890 -13.898 -7.759 1.00 12.24 H new ATOM 793 N ILE A 52 3.607 -6.111 -3.470 1.00 54.02 N ATOM 794 CA ILE A 52 2.420 -5.498 -2.854 1.00 51.22 C ATOM 795 C ILE A 52 1.539 -4.790 -3.906 1.00 44.30 C ATOM 796 O ILE A 52 2.024 -4.371 -4.959 1.00 50.43 O ATOM 797 CB ILE A 52 2.839 -4.477 -1.758 1.00 21.54 C ATOM 798 CG1 ILE A 52 1.606 -3.878 -1.056 1.00 31.52 C ATOM 799 CG2 ILE A 52 3.710 -3.374 -2.353 1.00 5.15 C ATOM 800 CD1 ILE A 52 1.939 -2.904 0.058 1.00 22.22 C ATOM 0 H ILE A 52 4.186 -5.458 -3.998 1.00 54.02 H new ATOM 0 HA ILE A 52 1.839 -6.300 -2.400 1.00 51.22 H new ATOM 0 HB ILE A 52 3.424 -5.011 -1.009 1.00 21.54 H new ATOM 0 HG12 ILE A 52 0.991 -3.368 -1.798 1.00 31.52 H new ATOM 0 HG13 ILE A 52 1.005 -4.690 -0.647 1.00 31.52 H new ATOM 0 HG21 ILE A 52 3.992 -2.671 -1.570 1.00 5.15 H new ATOM 0 HG22 ILE A 52 4.608 -3.814 -2.786 1.00 5.15 H new ATOM 0 HG23 ILE A 52 3.153 -2.849 -3.129 1.00 5.15 H new ATOM 0 HD11 ILE A 52 1.016 -2.528 0.500 1.00 22.22 H new ATOM 0 HD12 ILE A 52 2.527 -3.412 0.822 1.00 22.22 H new ATOM 0 HD13 ILE A 52 2.513 -2.071 -0.347 1.00 22.22 H new ATOM 812 N ARG A 53 0.240 -4.674 -3.617 1.00 43.44 N ATOM 813 CA ARG A 53 -0.702 -3.984 -4.509 1.00 74.10 C ATOM 814 C ARG A 53 -1.946 -3.500 -3.746 1.00 23.53 C ATOM 815 O ARG A 53 -2.171 -3.877 -2.595 1.00 14.44 O ATOM 816 CB ARG A 53 -1.164 -4.920 -5.638 1.00 74.14 C ATOM 817 CG ARG A 53 -2.019 -6.087 -5.145 1.00 64.40 C ATOM 818 CD ARG A 53 -2.748 -6.787 -6.286 1.00 44.45 C ATOM 819 NE ARG A 53 -3.606 -7.865 -5.798 1.00 0.33 N ATOM 820 CZ ARG A 53 -4.604 -8.370 -6.466 1.00 32.10 C ATOM 821 NH1 ARG A 53 -4.893 -7.940 -7.652 1.00 33.42 N ATOM 822 NH2 ARG A 53 -5.316 -9.309 -5.939 1.00 51.25 N ATOM 0 H ARG A 53 -0.186 -5.050 -2.770 1.00 43.44 H new ATOM 0 HA ARG A 53 -0.175 -3.125 -4.924 1.00 74.10 H new ATOM 0 HB2 ARG A 53 -1.734 -4.344 -6.367 1.00 74.14 H new ATOM 0 HB3 ARG A 53 -0.289 -5.313 -6.155 1.00 74.14 H new ATOM 0 HG2 ARG A 53 -1.385 -6.806 -4.625 1.00 64.40 H new ATOM 0 HG3 ARG A 53 -2.747 -5.722 -4.421 1.00 64.40 H new ATOM 0 HD2 ARG A 53 -3.350 -6.061 -6.833 1.00 44.45 H new ATOM 0 HD3 ARG A 53 -2.020 -7.191 -6.989 1.00 44.45 H new ATOM 0 HE ARG A 53 -3.410 -8.247 -4.873 1.00 0.33 H new ATOM 0 HH11 ARG A 53 -4.337 -7.197 -8.075 1.00 33.42 H new ATOM 0 HH12 ARG A 53 -5.677 -8.344 -8.164 1.00 33.42 H new ATOM 0 HH21 ARG A 53 -5.096 -9.652 -5.004 1.00 51.25 H new ATOM 0 HH22 ARG A 53 -6.099 -9.708 -6.458 1.00 51.25 H new ATOM 836 N ILE A 54 -2.750 -2.660 -4.399 1.00 21.43 N ATOM 837 CA ILE A 54 -4.087 -2.323 -3.899 1.00 54.31 C ATOM 838 C ILE A 54 -5.121 -3.288 -4.493 1.00 60.45 C ATOM 839 O ILE A 54 -5.228 -3.428 -5.713 1.00 70.43 O ATOM 840 CB ILE A 54 -4.480 -0.863 -4.233 1.00 73.22 C ATOM 841 CG1 ILE A 54 -3.550 0.111 -3.490 1.00 64.21 C ATOM 842 CG2 ILE A 54 -5.947 -0.594 -3.881 1.00 61.53 C ATOM 843 CD1 ILE A 54 -3.903 1.571 -3.678 1.00 21.53 C ATOM 0 H ILE A 54 -2.501 -2.200 -5.275 1.00 21.43 H new ATOM 0 HA ILE A 54 -4.068 -2.420 -2.813 1.00 54.31 H new ATOM 0 HB ILE A 54 -4.366 -0.708 -5.306 1.00 73.22 H new ATOM 0 HG12 ILE A 54 -3.573 -0.123 -2.426 1.00 64.21 H new ATOM 0 HG13 ILE A 54 -2.527 -0.051 -3.830 1.00 64.21 H new ATOM 0 HG21 ILE A 54 -6.196 0.438 -4.126 1.00 61.53 H new ATOM 0 HG22 ILE A 54 -6.587 -1.267 -4.451 1.00 61.53 H new ATOM 0 HG23 ILE A 54 -6.102 -0.762 -2.815 1.00 61.53 H new ATOM 0 HD11 ILE A 54 -3.199 2.190 -3.122 1.00 21.53 H new ATOM 0 HD12 ILE A 54 -3.851 1.824 -4.737 1.00 21.53 H new ATOM 0 HD13 ILE A 54 -4.913 1.751 -3.311 1.00 21.53 H new ATOM 855 N LYS A 55 -5.870 -3.959 -3.625 1.00 3.03 N ATOM 856 CA LYS A 55 -6.772 -5.032 -4.049 1.00 3.41 C ATOM 857 C LYS A 55 -8.203 -4.527 -4.307 1.00 21.00 C ATOM 858 O LYS A 55 -8.894 -5.033 -5.197 1.00 2.43 O ATOM 859 CB LYS A 55 -6.782 -6.131 -2.980 1.00 71.45 C ATOM 860 CG LYS A 55 -7.462 -7.423 -3.412 1.00 14.42 C ATOM 861 CD LYS A 55 -7.281 -8.518 -2.365 1.00 20.11 C ATOM 862 CE LYS A 55 -7.761 -9.871 -2.869 1.00 70.35 C ATOM 863 NZ LYS A 55 -7.432 -10.957 -1.914 1.00 70.45 N ATOM 0 H LYS A 55 -5.873 -3.781 -2.621 1.00 3.03 H new ATOM 0 HA LYS A 55 -6.402 -5.429 -4.994 1.00 3.41 H new ATOM 0 HB2 LYS A 55 -5.754 -6.354 -2.696 1.00 71.45 H new ATOM 0 HB3 LYS A 55 -7.284 -5.751 -2.090 1.00 71.45 H new ATOM 0 HG2 LYS A 55 -8.525 -7.242 -3.573 1.00 14.42 H new ATOM 0 HG3 LYS A 55 -7.048 -7.754 -4.364 1.00 14.42 H new ATOM 0 HD2 LYS A 55 -6.229 -8.586 -2.089 1.00 20.11 H new ATOM 0 HD3 LYS A 55 -7.830 -8.251 -1.462 1.00 20.11 H new ATOM 0 HE2 LYS A 55 -8.839 -9.839 -3.028 1.00 70.35 H new ATOM 0 HE3 LYS A 55 -7.303 -10.084 -3.835 1.00 70.35 H new ATOM 0 HZ1 LYS A 55 -7.789 -11.862 -2.281 1.00 70.45 H new ATOM 0 HZ2 LYS A 55 -6.400 -11.014 -1.795 1.00 70.45 H new ATOM 0 HZ3 LYS A 55 -7.876 -10.757 -0.995 1.00 70.45 H new ATOM 877 N GLU A 56 -8.635 -3.535 -3.528 1.00 1.50 N ATOM 878 CA GLU A 56 -9.997 -2.995 -3.638 1.00 73.54 C ATOM 879 C GLU A 56 -10.150 -1.695 -2.828 1.00 33.32 C ATOM 880 O GLU A 56 -9.634 -1.584 -1.714 1.00 63.31 O ATOM 881 CB GLU A 56 -11.017 -4.033 -3.139 1.00 50.23 C ATOM 882 CG GLU A 56 -12.472 -3.588 -3.268 1.00 45.55 C ATOM 883 CD GLU A 56 -13.445 -4.563 -2.623 1.00 51.11 C ATOM 884 OE1 GLU A 56 -13.618 -5.684 -3.151 1.00 44.23 O ATOM 885 OE2 GLU A 56 -14.048 -4.210 -1.585 1.00 71.50 O ATOM 0 H GLU A 56 -8.063 -3.086 -2.812 1.00 1.50 H new ATOM 0 HA GLU A 56 -10.184 -2.771 -4.688 1.00 73.54 H new ATOM 0 HB2 GLU A 56 -10.880 -4.959 -3.698 1.00 50.23 H new ATOM 0 HB3 GLU A 56 -10.808 -4.258 -2.093 1.00 50.23 H new ATOM 0 HG2 GLU A 56 -12.589 -2.607 -2.808 1.00 45.55 H new ATOM 0 HG3 GLU A 56 -12.721 -3.477 -4.323 1.00 45.55 H new ATOM 892 N ASP A 57 -10.857 -0.713 -3.386 1.00 22.34 N ATOM 893 CA ASP A 57 -11.139 0.537 -2.670 1.00 71.43 C ATOM 894 C ASP A 57 -12.317 1.294 -3.300 1.00 31.42 C ATOM 895 O ASP A 57 -12.679 1.057 -4.452 1.00 70.31 O ATOM 896 CB ASP A 57 -9.890 1.424 -2.643 1.00 50.14 C ATOM 897 CG ASP A 57 -9.543 2.010 -4.000 1.00 43.22 C ATOM 898 OD1 ASP A 57 -9.117 1.253 -4.888 1.00 45.14 O ATOM 899 OD2 ASP A 57 -9.701 3.236 -4.175 1.00 53.11 O ATOM 0 H ASP A 57 -11.245 -0.755 -4.328 1.00 22.34 H new ATOM 0 HA ASP A 57 -11.418 0.281 -1.648 1.00 71.43 H new ATOM 0 HB2 ASP A 57 -10.044 2.236 -1.932 1.00 50.14 H new ATOM 0 HB3 ASP A 57 -9.045 0.839 -2.280 1.00 50.14 H new ATOM 904 N ASN A 58 -12.913 2.209 -2.544 1.00 32.00 N ATOM 905 CA ASN A 58 -14.046 2.998 -3.040 1.00 41.44 C ATOM 906 C ASN A 58 -13.596 4.368 -3.587 1.00 62.11 C ATOM 907 O ASN A 58 -13.768 5.405 -2.944 1.00 75.52 O ATOM 908 CB ASN A 58 -15.101 3.165 -1.934 1.00 2.22 C ATOM 909 CG ASN A 58 -14.548 3.788 -0.662 1.00 34.14 C ATOM 910 OD1 ASN A 58 -13.370 3.647 -0.335 1.00 14.25 O ATOM 911 ND2 ASN A 58 -15.397 4.480 0.067 1.00 73.04 N ATOM 0 H ASN A 58 -12.635 2.426 -1.587 1.00 32.00 H new ATOM 0 HA ASN A 58 -14.493 2.454 -3.872 1.00 41.44 H new ATOM 0 HB2 ASN A 58 -15.915 3.785 -2.309 1.00 2.22 H new ATOM 0 HB3 ASN A 58 -15.526 2.190 -1.697 1.00 2.22 H new ATOM 0 HD21 ASN A 58 -15.085 4.920 0.933 1.00 73.04 H new ATOM 0 HD22 ASN A 58 -16.367 4.577 -0.234 1.00 73.04 H new ATOM 918 N SER A 59 -12.977 4.360 -4.765 1.00 65.42 N ATOM 919 CA SER A 59 -12.600 5.609 -5.454 1.00 33.32 C ATOM 920 C SER A 59 -13.165 5.640 -6.880 1.00 70.34 C ATOM 921 O SER A 59 -13.308 4.597 -7.519 1.00 12.40 O ATOM 922 CB SER A 59 -11.072 5.767 -5.510 1.00 41.02 C ATOM 923 OG SER A 59 -10.481 4.801 -6.369 1.00 41.52 O ATOM 0 H SER A 59 -12.723 3.510 -5.268 1.00 65.42 H new ATOM 0 HA SER A 59 -13.023 6.436 -4.884 1.00 33.32 H new ATOM 0 HB2 SER A 59 -10.821 6.769 -5.859 1.00 41.02 H new ATOM 0 HB3 SER A 59 -10.657 5.666 -4.507 1.00 41.02 H new ATOM 0 HG SER A 59 -10.082 4.086 -5.831 1.00 41.52 H new ATOM 929 N PRO A 60 -13.488 6.839 -7.405 1.00 25.04 N ATOM 930 CA PRO A 60 -14.018 6.986 -8.778 1.00 3.33 C ATOM 931 C PRO A 60 -12.932 6.802 -9.856 1.00 4.53 C ATOM 932 O PRO A 60 -13.214 6.841 -11.058 1.00 4.33 O ATOM 933 CB PRO A 60 -14.554 8.427 -8.782 1.00 50.22 C ATOM 934 CG PRO A 60 -13.691 9.146 -7.795 1.00 73.24 C ATOM 935 CD PRO A 60 -13.375 8.143 -6.713 1.00 20.34 C ATOM 0 HA PRO A 60 -14.768 6.232 -9.016 1.00 3.33 H new ATOM 0 HB2 PRO A 60 -14.483 8.875 -9.773 1.00 50.22 H new ATOM 0 HB3 PRO A 60 -15.604 8.461 -8.491 1.00 50.22 H new ATOM 0 HG2 PRO A 60 -12.779 9.511 -8.267 1.00 73.24 H new ATOM 0 HG3 PRO A 60 -14.207 10.014 -7.384 1.00 73.24 H new ATOM 0 HD2 PRO A 60 -12.376 8.295 -6.304 1.00 20.34 H new ATOM 0 HD3 PRO A 60 -14.075 8.217 -5.880 1.00 20.34 H new ATOM 943 N ASP A 61 -11.691 6.609 -9.415 1.00 31.04 N ATOM 944 CA ASP A 61 -10.553 6.434 -10.321 1.00 32.11 C ATOM 945 C ASP A 61 -10.006 4.997 -10.286 1.00 40.11 C ATOM 946 O ASP A 61 -9.705 4.416 -11.334 1.00 34.50 O ATOM 947 CB ASP A 61 -9.446 7.424 -9.956 1.00 32.04 C ATOM 948 CG ASP A 61 -9.882 8.864 -10.149 1.00 42.12 C ATOM 949 OD1 ASP A 61 -10.515 9.426 -9.230 1.00 33.35 O ATOM 950 OD2 ASP A 61 -9.601 9.437 -11.223 1.00 62.25 O ATOM 0 H ASP A 61 -11.444 6.569 -8.426 1.00 31.04 H new ATOM 0 HA ASP A 61 -10.902 6.627 -11.335 1.00 32.11 H new ATOM 0 HB2 ASP A 61 -9.151 7.271 -8.918 1.00 32.04 H new ATOM 0 HB3 ASP A 61 -8.567 7.227 -10.569 1.00 32.04 H new ATOM 955 N GLN A 62 -9.873 4.433 -9.078 1.00 32.22 N ATOM 956 CA GLN A 62 -9.318 3.080 -8.895 1.00 55.33 C ATOM 957 C GLN A 62 -7.852 3.008 -9.356 1.00 72.51 C ATOM 958 O GLN A 62 -7.372 1.953 -9.773 1.00 53.23 O ATOM 959 CB GLN A 62 -10.174 2.043 -9.648 1.00 55.22 C ATOM 960 CG GLN A 62 -11.603 1.935 -9.126 1.00 3.41 C ATOM 961 CD GLN A 62 -11.663 1.368 -7.716 1.00 2.42 C ATOM 962 OE1 GLN A 62 -11.783 0.166 -7.522 1.00 21.55 O ATOM 963 NE2 GLN A 62 -11.582 2.228 -6.720 1.00 63.14 N ATOM 0 H GLN A 62 -10.143 4.893 -8.208 1.00 32.22 H new ATOM 0 HA GLN A 62 -9.342 2.849 -7.830 1.00 55.33 H new ATOM 0 HB2 GLN A 62 -10.201 2.306 -10.705 1.00 55.22 H new ATOM 0 HB3 GLN A 62 -9.695 1.067 -9.575 1.00 55.22 H new ATOM 0 HG2 GLN A 62 -12.067 2.921 -9.138 1.00 3.41 H new ATOM 0 HG3 GLN A 62 -12.185 1.301 -9.795 1.00 3.41 H new ATOM 0 HE21 GLN A 62 -11.482 3.225 -6.913 1.00 63.14 H new ATOM 0 HE22 GLN A 62 -11.619 1.897 -5.756 1.00 63.14 H new ATOM 972 N VAL A 63 -7.133 4.128 -9.236 1.00 70.05 N ATOM 973 CA VAL A 63 -5.743 4.230 -9.714 1.00 61.41 C ATOM 974 C VAL A 63 -4.861 3.100 -9.161 1.00 32.34 C ATOM 975 O VAL A 63 -4.048 2.522 -9.887 1.00 14.45 O ATOM 976 CB VAL A 63 -5.117 5.597 -9.330 1.00 31.25 C ATOM 977 CG1 VAL A 63 -3.679 5.708 -9.834 1.00 62.02 C ATOM 978 CG2 VAL A 63 -5.964 6.747 -9.870 1.00 70.21 C ATOM 0 H VAL A 63 -7.489 4.983 -8.810 1.00 70.05 H new ATOM 0 HA VAL A 63 -5.783 4.141 -10.800 1.00 61.41 H new ATOM 0 HB VAL A 63 -5.097 5.661 -8.242 1.00 31.25 H new ATOM 0 HG11 VAL A 63 -3.268 6.676 -9.550 1.00 62.02 H new ATOM 0 HG12 VAL A 63 -3.076 4.914 -9.393 1.00 62.02 H new ATOM 0 HG13 VAL A 63 -3.666 5.613 -10.920 1.00 62.02 H new ATOM 0 HG21 VAL A 63 -5.509 7.697 -9.590 1.00 70.21 H new ATOM 0 HG22 VAL A 63 -6.021 6.678 -10.956 1.00 70.21 H new ATOM 0 HG23 VAL A 63 -6.968 6.688 -9.449 1.00 70.21 H new ATOM 988 N GLY A 64 -5.026 2.786 -7.878 1.00 52.13 N ATOM 989 CA GLY A 64 -4.291 1.681 -7.273 1.00 35.03 C ATOM 990 C GLY A 64 -4.488 0.362 -8.013 1.00 33.02 C ATOM 991 O GLY A 64 -3.528 -0.373 -8.263 1.00 62.04 O ATOM 0 H GLY A 64 -5.656 3.277 -7.243 1.00 52.13 H new ATOM 0 HA2 GLY A 64 -3.229 1.925 -7.253 1.00 35.03 H new ATOM 0 HA3 GLY A 64 -4.610 1.562 -6.238 1.00 35.03 H new ATOM 995 N VAL A 65 -5.734 0.076 -8.380 1.00 34.43 N ATOM 996 CA VAL A 65 -6.068 -1.137 -9.122 1.00 34.33 C ATOM 997 C VAL A 65 -5.418 -1.128 -10.521 1.00 24.15 C ATOM 998 O VAL A 65 -4.935 -2.157 -11.001 1.00 53.41 O ATOM 999 CB VAL A 65 -7.602 -1.298 -9.267 1.00 21.20 C ATOM 1000 CG1 VAL A 65 -7.953 -2.602 -9.982 1.00 31.22 C ATOM 1001 CG2 VAL A 65 -8.292 -1.224 -7.904 1.00 73.40 C ATOM 0 H VAL A 65 -6.535 0.673 -8.174 1.00 34.43 H new ATOM 0 HA VAL A 65 -5.676 -1.981 -8.554 1.00 34.33 H new ATOM 0 HB VAL A 65 -7.967 -0.471 -9.876 1.00 21.20 H new ATOM 0 HG11 VAL A 65 -9.036 -2.689 -10.070 1.00 31.22 H new ATOM 0 HG12 VAL A 65 -7.507 -2.603 -10.977 1.00 31.22 H new ATOM 0 HG13 VAL A 65 -7.567 -3.446 -9.410 1.00 31.22 H new ATOM 0 HG21 VAL A 65 -9.368 -1.340 -8.034 1.00 73.40 H new ATOM 0 HG22 VAL A 65 -7.916 -2.021 -7.262 1.00 73.40 H new ATOM 0 HG23 VAL A 65 -8.084 -0.258 -7.443 1.00 73.40 H new ATOM 1011 N LYS A 66 -5.401 0.042 -11.165 1.00 32.11 N ATOM 1012 CA LYS A 66 -4.754 0.198 -12.480 1.00 33.44 C ATOM 1013 C LYS A 66 -3.232 -0.020 -12.387 1.00 31.24 C ATOM 1014 O LYS A 66 -2.635 -0.664 -13.250 1.00 14.21 O ATOM 1015 CB LYS A 66 -5.033 1.593 -13.075 1.00 40.14 C ATOM 1016 CG LYS A 66 -6.408 1.760 -13.731 1.00 1.13 C ATOM 1017 CD LYS A 66 -7.558 1.657 -12.733 1.00 73.30 C ATOM 1018 CE LYS A 66 -8.897 2.024 -13.368 1.00 41.54 C ATOM 1019 NZ LYS A 66 -8.934 3.438 -13.828 1.00 61.23 N ATOM 0 H LYS A 66 -5.825 0.896 -10.802 1.00 32.11 H new ATOM 0 HA LYS A 66 -5.180 -0.562 -13.135 1.00 33.44 H new ATOM 0 HB2 LYS A 66 -4.934 2.335 -12.282 1.00 40.14 H new ATOM 0 HB3 LYS A 66 -4.265 1.814 -13.816 1.00 40.14 H new ATOM 0 HG2 LYS A 66 -6.452 2.728 -14.230 1.00 1.13 H new ATOM 0 HG3 LYS A 66 -6.533 0.999 -14.501 1.00 1.13 H new ATOM 0 HD2 LYS A 66 -7.608 0.641 -12.341 1.00 73.30 H new ATOM 0 HD3 LYS A 66 -7.365 2.316 -11.887 1.00 73.30 H new ATOM 0 HE2 LYS A 66 -9.089 1.364 -14.214 1.00 41.54 H new ATOM 0 HE3 LYS A 66 -9.697 1.858 -12.646 1.00 41.54 H new ATOM 0 HZ1 LYS A 66 -9.843 3.627 -14.297 1.00 61.23 H new ATOM 0 HZ2 LYS A 66 -8.828 4.072 -13.010 1.00 61.23 H new ATOM 0 HZ3 LYS A 66 -8.157 3.605 -14.498 1.00 61.23 H new ATOM 1033 N MET A 67 -2.615 0.518 -11.333 1.00 54.43 N ATOM 1034 CA MET A 67 -1.159 0.421 -11.141 1.00 50.20 C ATOM 1035 C MET A 67 -0.666 -1.038 -11.108 1.00 53.22 C ATOM 1036 O MET A 67 0.354 -1.367 -11.719 1.00 71.03 O ATOM 1037 CB MET A 67 -0.740 1.144 -9.853 1.00 5.10 C ATOM 1038 CG MET A 67 -0.869 2.660 -9.928 1.00 40.32 C ATOM 1039 SD MET A 67 0.185 3.373 -11.208 1.00 33.23 S ATOM 1040 CE MET A 67 -0.185 5.118 -11.031 1.00 3.24 C ATOM 0 H MET A 67 -3.100 1.028 -10.594 1.00 54.43 H new ATOM 0 HA MET A 67 -0.693 0.904 -12.000 1.00 50.20 H new ATOM 0 HB2 MET A 67 -1.350 0.777 -9.027 1.00 5.10 H new ATOM 0 HB3 MET A 67 0.294 0.888 -9.624 1.00 5.10 H new ATOM 0 HG2 MET A 67 -1.908 2.925 -10.126 1.00 40.32 H new ATOM 0 HG3 MET A 67 -0.608 3.093 -8.962 1.00 40.32 H new ATOM 0 HE1 MET A 67 0.445 5.694 -11.709 1.00 3.24 H new ATOM 0 HE2 MET A 67 -1.233 5.294 -11.273 1.00 3.24 H new ATOM 0 HE3 MET A 67 0.008 5.428 -10.004 1.00 3.24 H new ATOM 1050 N GLY A 68 -1.378 -1.901 -10.387 1.00 53.24 N ATOM 1051 CA GLY A 68 -0.996 -3.310 -10.309 1.00 54.43 C ATOM 1052 C GLY A 68 0.124 -3.589 -9.302 1.00 11.23 C ATOM 1053 O GLY A 68 0.405 -2.766 -8.428 1.00 13.35 O ATOM 0 H GLY A 68 -2.212 -1.655 -9.854 1.00 53.24 H new ATOM 0 HA2 GLY A 68 -1.871 -3.900 -10.038 1.00 54.43 H new ATOM 0 HA3 GLY A 68 -0.678 -3.646 -11.296 1.00 54.43 H new ATOM 1057 N TRP A 69 0.786 -4.738 -9.449 1.00 62.15 N ATOM 1058 CA TRP A 69 1.805 -5.189 -8.486 1.00 1.30 C ATOM 1059 C TRP A 69 3.059 -4.293 -8.484 1.00 71.23 C ATOM 1060 O TRP A 69 3.451 -3.738 -9.512 1.00 25.03 O ATOM 1061 CB TRP A 69 2.217 -6.639 -8.782 1.00 51.51 C ATOM 1062 CG TRP A 69 1.107 -7.636 -8.611 1.00 30.35 C ATOM 1063 CD1 TRP A 69 0.294 -8.138 -9.590 1.00 33.54 C ATOM 1064 CD2 TRP A 69 0.689 -8.254 -7.387 1.00 74.30 C ATOM 1065 NE1 TRP A 69 -0.600 -9.030 -9.048 1.00 31.02 N ATOM 1066 CE2 TRP A 69 -0.381 -9.118 -7.699 1.00 44.42 C ATOM 1067 CE3 TRP A 69 1.110 -8.159 -6.056 1.00 73.50 C ATOM 1068 CZ2 TRP A 69 -1.025 -9.882 -6.731 1.00 52.54 C ATOM 1069 CZ3 TRP A 69 0.469 -8.920 -5.098 1.00 53.20 C ATOM 1070 CH2 TRP A 69 -0.589 -9.772 -5.439 1.00 44.31 C ATOM 0 H TRP A 69 0.637 -5.379 -10.228 1.00 62.15 H new ATOM 0 HA TRP A 69 1.349 -5.123 -7.498 1.00 1.30 H new ATOM 0 HB2 TRP A 69 2.591 -6.698 -9.804 1.00 51.51 H new ATOM 0 HB3 TRP A 69 3.042 -6.913 -8.125 1.00 51.51 H new ATOM 0 HD1 TRP A 69 0.347 -7.872 -10.635 1.00 33.54 H new ATOM 0 HE1 TRP A 69 -1.312 -9.544 -9.567 1.00 31.02 H new ATOM 0 HE3 TRP A 69 1.922 -7.502 -5.782 1.00 73.50 H new ATOM 0 HZ2 TRP A 69 -1.841 -10.540 -6.991 1.00 52.54 H new ATOM 0 HZ3 TRP A 69 0.789 -8.857 -4.068 1.00 53.20 H new ATOM 0 HH2 TRP A 69 -1.070 -10.354 -4.667 1.00 44.31 H new ATOM 1081 N LYS A 70 3.673 -4.153 -7.308 1.00 1.54 N ATOM 1082 CA LYS A 70 4.917 -3.383 -7.142 1.00 42.52 C ATOM 1083 C LYS A 70 5.910 -4.156 -6.257 1.00 30.41 C ATOM 1084 O LYS A 70 5.507 -4.788 -5.276 1.00 5.42 O ATOM 1085 CB LYS A 70 4.604 -2.011 -6.520 1.00 63.35 C ATOM 1086 CG LYS A 70 3.659 -1.158 -7.362 1.00 62.31 C ATOM 1087 CD LYS A 70 4.311 -0.686 -8.659 1.00 65.50 C ATOM 1088 CE LYS A 70 3.281 -0.266 -9.696 1.00 54.20 C ATOM 1089 NZ LYS A 70 2.476 -1.427 -10.164 1.00 40.22 N ATOM 0 H LYS A 70 3.327 -4.567 -6.443 1.00 1.54 H new ATOM 0 HA LYS A 70 5.372 -3.232 -8.121 1.00 42.52 H new ATOM 0 HB2 LYS A 70 4.164 -2.161 -5.534 1.00 63.35 H new ATOM 0 HB3 LYS A 70 5.537 -1.467 -6.373 1.00 63.35 H new ATOM 0 HG2 LYS A 70 2.763 -1.734 -7.596 1.00 62.31 H new ATOM 0 HG3 LYS A 70 3.339 -0.292 -6.782 1.00 62.31 H new ATOM 0 HD2 LYS A 70 4.974 0.153 -8.447 1.00 65.50 H new ATOM 0 HD3 LYS A 70 4.929 -1.486 -9.066 1.00 65.50 H new ATOM 0 HE2 LYS A 70 2.620 0.489 -9.269 1.00 54.20 H new ATOM 0 HE3 LYS A 70 3.785 0.195 -10.545 1.00 54.20 H new ATOM 0 HZ1 LYS A 70 2.009 -1.186 -11.062 1.00 40.22 H new ATOM 0 HZ2 LYS A 70 3.100 -2.247 -10.307 1.00 40.22 H new ATOM 0 HZ3 LYS A 70 1.756 -1.660 -9.451 1.00 40.22 H new ATOM 1103 N SER A 71 7.204 -4.114 -6.600 1.00 11.42 N ATOM 1104 CA SER A 71 8.215 -4.887 -5.850 1.00 54.52 C ATOM 1105 C SER A 71 9.658 -4.440 -6.137 1.00 40.33 C ATOM 1106 O SER A 71 10.607 -5.119 -5.740 1.00 54.14 O ATOM 1107 CB SER A 71 8.083 -6.380 -6.183 1.00 42.01 C ATOM 1108 OG SER A 71 8.292 -6.618 -7.569 1.00 15.14 O ATOM 0 H SER A 71 7.575 -3.566 -7.376 1.00 11.42 H new ATOM 0 HA SER A 71 8.020 -4.703 -4.793 1.00 54.52 H new ATOM 0 HB2 SER A 71 8.806 -6.951 -5.600 1.00 42.01 H new ATOM 0 HB3 SER A 71 7.093 -6.733 -5.896 1.00 42.01 H new ATOM 0 HG SER A 71 8.204 -7.576 -7.753 1.00 15.14 H new ATOM 1114 N LYS A 72 9.837 -3.306 -6.816 1.00 71.52 N ATOM 1115 CA LYS A 72 11.183 -2.838 -7.182 1.00 2.22 C ATOM 1116 C LYS A 72 11.544 -1.530 -6.461 1.00 4.34 C ATOM 1117 O LYS A 72 10.665 -0.746 -6.093 1.00 44.41 O ATOM 1118 CB LYS A 72 11.279 -2.642 -8.701 1.00 44.11 C ATOM 1119 CG LYS A 72 10.908 -3.886 -9.505 1.00 11.42 C ATOM 1120 CD LYS A 72 11.773 -5.089 -9.124 1.00 64.43 C ATOM 1121 CE LYS A 72 11.344 -6.354 -9.856 1.00 63.34 C ATOM 1122 NZ LYS A 72 9.933 -6.717 -9.558 1.00 53.42 N ATOM 0 H LYS A 72 9.078 -2.697 -7.123 1.00 71.52 H new ATOM 0 HA LYS A 72 11.896 -3.601 -6.868 1.00 2.22 H new ATOM 0 HB2 LYS A 72 10.624 -1.822 -8.995 1.00 44.11 H new ATOM 0 HB3 LYS A 72 12.296 -2.345 -8.957 1.00 44.11 H new ATOM 0 HG2 LYS A 72 9.858 -4.126 -9.338 1.00 11.42 H new ATOM 0 HG3 LYS A 72 11.023 -3.678 -10.569 1.00 11.42 H new ATOM 0 HD2 LYS A 72 12.816 -4.873 -9.354 1.00 64.43 H new ATOM 0 HD3 LYS A 72 11.711 -5.254 -8.048 1.00 64.43 H new ATOM 0 HE2 LYS A 72 11.462 -6.210 -10.930 1.00 63.34 H new ATOM 0 HE3 LYS A 72 11.998 -7.178 -9.571 1.00 63.34 H new ATOM 0 HZ1 LYS A 72 9.751 -7.691 -9.874 1.00 53.42 H new ATOM 0 HZ2 LYS A 72 9.766 -6.648 -8.534 1.00 53.42 H new ATOM 0 HZ3 LYS A 72 9.294 -6.066 -10.057 1.00 53.42 H new ATOM 1136 N ALA A 73 12.843 -1.299 -6.273 1.00 24.43 N ATOM 1137 CA ALA A 73 13.325 -0.094 -5.592 1.00 12.42 C ATOM 1138 C ALA A 73 13.080 1.157 -6.447 1.00 20.20 C ATOM 1139 O ALA A 73 13.906 1.532 -7.282 1.00 34.41 O ATOM 1140 CB ALA A 73 14.804 -0.231 -5.250 1.00 22.25 C ATOM 0 H ALA A 73 13.582 -1.930 -6.582 1.00 24.43 H new ATOM 0 HA ALA A 73 12.764 0.019 -4.664 1.00 12.42 H new ATOM 0 HB1 ALA A 73 15.146 0.672 -4.745 1.00 22.25 H new ATOM 0 HB2 ALA A 73 14.948 -1.090 -4.594 1.00 22.25 H new ATOM 0 HB3 ALA A 73 15.378 -0.374 -6.166 1.00 22.25 H new ATOM 1146 N GLY A 74 11.932 1.783 -6.240 1.00 1.03 N ATOM 1147 CA GLY A 74 11.529 2.919 -7.058 1.00 65.20 C ATOM 1148 C GLY A 74 10.034 2.922 -7.348 1.00 61.23 C ATOM 1149 O GLY A 74 9.451 3.966 -7.648 1.00 1.31 O ATOM 0 H GLY A 74 11.263 1.525 -5.514 1.00 1.03 H new ATOM 0 HA2 GLY A 74 11.800 3.844 -6.549 1.00 65.20 H new ATOM 0 HA3 GLY A 74 12.079 2.900 -7.999 1.00 65.20 H new ATOM 1153 N ASP A 75 9.408 1.747 -7.252 1.00 70.45 N ATOM 1154 CA ASP A 75 7.963 1.615 -7.461 1.00 31.21 C ATOM 1155 C ASP A 75 7.164 2.402 -6.408 1.00 14.12 C ATOM 1156 O ASP A 75 7.553 2.473 -5.239 1.00 75.24 O ATOM 1157 CB ASP A 75 7.551 0.139 -7.419 1.00 34.21 C ATOM 1158 CG ASP A 75 8.081 -0.672 -8.592 1.00 41.52 C ATOM 1159 OD1 ASP A 75 8.555 -0.072 -9.586 1.00 20.35 O ATOM 1160 OD2 ASP A 75 8.006 -1.916 -8.536 1.00 63.41 O ATOM 0 H ASP A 75 9.880 0.870 -7.030 1.00 70.45 H new ATOM 0 HA ASP A 75 7.736 2.030 -8.443 1.00 31.21 H new ATOM 0 HB2 ASP A 75 7.909 -0.304 -6.490 1.00 34.21 H new ATOM 0 HB3 ASP A 75 6.463 0.074 -7.404 1.00 34.21 H new ATOM 1165 N THR A 76 6.052 2.999 -6.839 1.00 52.10 N ATOM 1166 CA THR A 76 5.163 3.756 -5.942 1.00 42.12 C ATOM 1167 C THR A 76 3.685 3.577 -6.325 1.00 71.24 C ATOM 1168 O THR A 76 3.360 3.168 -7.440 1.00 43.12 O ATOM 1169 CB THR A 76 5.474 5.278 -5.942 1.00 53.12 C ATOM 1170 OG1 THR A 76 5.401 5.802 -7.278 1.00 34.25 O ATOM 1171 CG2 THR A 76 6.849 5.573 -5.349 1.00 50.15 C ATOM 0 H THR A 76 5.740 2.975 -7.810 1.00 52.10 H new ATOM 0 HA THR A 76 5.346 3.351 -4.947 1.00 42.12 H new ATOM 0 HB THR A 76 4.724 5.764 -5.318 1.00 53.12 H new ATOM 0 HG1 THR A 76 5.597 6.762 -7.264 1.00 34.25 H new ATOM 0 HG21 THR A 76 7.030 6.648 -5.367 1.00 50.15 H new ATOM 0 HG22 THR A 76 6.886 5.216 -4.320 1.00 50.15 H new ATOM 0 HG23 THR A 76 7.615 5.067 -5.936 1.00 50.15 H new ATOM 1179 N ILE A 77 2.800 3.889 -5.382 1.00 13.43 N ATOM 1180 CA ILE A 77 1.349 3.848 -5.598 1.00 43.15 C ATOM 1181 C ILE A 77 0.710 5.183 -5.177 1.00 53.42 C ATOM 1182 O ILE A 77 0.720 5.533 -3.995 1.00 33.02 O ATOM 1183 CB ILE A 77 0.684 2.696 -4.793 1.00 21.22 C ATOM 1184 CG1 ILE A 77 1.229 1.323 -5.233 1.00 1.12 C ATOM 1185 CG2 ILE A 77 -0.839 2.740 -4.945 1.00 62.11 C ATOM 1186 CD1 ILE A 77 0.876 0.948 -6.658 1.00 13.02 C ATOM 0 H ILE A 77 3.066 4.179 -4.441 1.00 13.43 H new ATOM 0 HA ILE A 77 1.184 3.673 -6.661 1.00 43.15 H new ATOM 0 HB ILE A 77 0.933 2.837 -3.741 1.00 21.22 H new ATOM 0 HG12 ILE A 77 2.314 1.323 -5.126 1.00 1.12 H new ATOM 0 HG13 ILE A 77 0.842 0.557 -4.560 1.00 1.12 H new ATOM 0 HG21 ILE A 77 -1.285 1.926 -4.374 1.00 62.11 H new ATOM 0 HG22 ILE A 77 -1.214 3.693 -4.572 1.00 62.11 H new ATOM 0 HG23 ILE A 77 -1.103 2.633 -5.997 1.00 62.11 H new ATOM 0 HD11 ILE A 77 1.295 -0.031 -6.891 1.00 13.02 H new ATOM 0 HD12 ILE A 77 -0.208 0.914 -6.767 1.00 13.02 H new ATOM 0 HD13 ILE A 77 1.286 1.691 -7.342 1.00 13.02 H new ATOM 1198 N VAL A 78 0.161 5.927 -6.136 1.00 71.51 N ATOM 1199 CA VAL A 78 -0.453 7.228 -5.837 1.00 64.35 C ATOM 1200 C VAL A 78 -1.983 7.171 -5.970 1.00 31.12 C ATOM 1201 O VAL A 78 -2.513 6.948 -7.057 1.00 54.13 O ATOM 1202 CB VAL A 78 0.090 8.331 -6.780 1.00 50.12 C ATOM 1203 CG1 VAL A 78 -0.474 9.698 -6.398 1.00 54.43 C ATOM 1204 CG2 VAL A 78 1.618 8.348 -6.771 1.00 21.10 C ATOM 0 H VAL A 78 0.127 5.658 -7.119 1.00 71.51 H new ATOM 0 HA VAL A 78 -0.192 7.470 -4.807 1.00 64.35 H new ATOM 0 HB VAL A 78 -0.239 8.103 -7.794 1.00 50.12 H new ATOM 0 HG11 VAL A 78 -0.079 10.456 -7.074 1.00 54.43 H new ATOM 0 HG12 VAL A 78 -1.561 9.677 -6.472 1.00 54.43 H new ATOM 0 HG13 VAL A 78 -0.185 9.938 -5.375 1.00 54.43 H new ATOM 0 HG21 VAL A 78 1.977 9.130 -7.440 1.00 21.10 H new ATOM 0 HG22 VAL A 78 1.974 8.544 -5.760 1.00 21.10 H new ATOM 0 HG23 VAL A 78 1.995 7.382 -7.107 1.00 21.10 H new ATOM 1214 N CYS A 79 -2.688 7.371 -4.857 1.00 14.12 N ATOM 1215 CA CYS A 79 -4.159 7.424 -4.858 1.00 14.24 C ATOM 1216 C CYS A 79 -4.667 8.747 -4.266 1.00 71.21 C ATOM 1217 O CYS A 79 -4.929 8.840 -3.062 1.00 51.14 O ATOM 1218 CB CYS A 79 -4.739 6.242 -4.074 1.00 50.30 C ATOM 1219 SG CYS A 79 -4.359 4.625 -4.790 1.00 4.33 S ATOM 0 H CYS A 79 -2.267 7.500 -3.937 1.00 14.12 H new ATOM 0 HA CYS A 79 -4.494 7.362 -5.893 1.00 14.24 H new ATOM 0 HB2 CYS A 79 -4.358 6.274 -3.053 1.00 50.30 H new ATOM 0 HB3 CYS A 79 -5.821 6.356 -4.014 1.00 50.30 H new ATOM 0 HG CYS A 79 -5.318 3.792 -4.514 1.00 4.33 H new ATOM 1225 N LEU A 80 -4.809 9.766 -5.113 1.00 63.02 N ATOM 1226 CA LEU A 80 -5.218 11.106 -4.661 1.00 32.44 C ATOM 1227 C LEU A 80 -6.631 11.129 -4.031 1.00 62.01 C ATOM 1228 O LEU A 80 -6.818 11.743 -2.978 1.00 13.34 O ATOM 1229 CB LEU A 80 -5.130 12.118 -5.815 1.00 61.12 C ATOM 1230 CG LEU A 80 -3.725 12.310 -6.417 1.00 1.34 C ATOM 1231 CD1 LEU A 80 -3.743 13.375 -7.510 1.00 0.23 C ATOM 1232 CD2 LEU A 80 -2.710 12.662 -5.330 1.00 74.01 C ATOM 0 H LEU A 80 -4.648 9.694 -6.118 1.00 63.02 H new ATOM 0 HA LEU A 80 -4.519 11.393 -3.875 1.00 32.44 H new ATOM 0 HB2 LEU A 80 -5.807 11.799 -6.608 1.00 61.12 H new ATOM 0 HB3 LEU A 80 -5.489 13.083 -5.458 1.00 61.12 H new ATOM 0 HG LEU A 80 -3.420 11.367 -6.870 1.00 1.34 H new ATOM 0 HD11 LEU A 80 -2.740 13.493 -7.920 1.00 0.23 H new ATOM 0 HD12 LEU A 80 -4.426 13.071 -8.303 1.00 0.23 H new ATOM 0 HD13 LEU A 80 -4.076 14.323 -7.089 1.00 0.23 H new ATOM 0 HD21 LEU A 80 -1.726 12.793 -5.780 1.00 74.01 H new ATOM 0 HD22 LEU A 80 -3.010 13.587 -4.838 1.00 74.01 H new ATOM 0 HD23 LEU A 80 -2.670 11.857 -4.596 1.00 74.01 H new ATOM 1244 N PRO A 81 -7.654 10.476 -4.645 1.00 64.44 N ATOM 1245 CA PRO A 81 -9.022 10.448 -4.081 1.00 63.52 C ATOM 1246 C PRO A 81 -9.077 9.952 -2.619 1.00 4.55 C ATOM 1247 O PRO A 81 -9.997 10.284 -1.874 1.00 43.10 O ATOM 1248 CB PRO A 81 -9.773 9.475 -5.004 1.00 24.43 C ATOM 1249 CG PRO A 81 -9.024 9.515 -6.293 1.00 53.34 C ATOM 1250 CD PRO A 81 -7.580 9.745 -5.933 1.00 71.33 C ATOM 0 HA PRO A 81 -9.451 11.450 -4.043 1.00 63.52 H new ATOM 0 HB2 PRO A 81 -9.789 8.468 -4.587 1.00 24.43 H new ATOM 0 HB3 PRO A 81 -10.810 9.780 -5.140 1.00 24.43 H new ATOM 0 HG2 PRO A 81 -9.144 8.581 -6.842 1.00 53.34 H new ATOM 0 HG3 PRO A 81 -9.397 10.313 -6.935 1.00 53.34 H new ATOM 0 HD2 PRO A 81 -7.038 8.805 -5.830 1.00 71.33 H new ATOM 0 HD3 PRO A 81 -7.065 10.328 -6.696 1.00 71.33 H new ATOM 1258 N HIS A 82 -8.093 9.143 -2.215 1.00 44.21 N ATOM 1259 CA HIS A 82 -8.023 8.630 -0.835 1.00 33.11 C ATOM 1260 C HIS A 82 -6.824 9.207 -0.063 1.00 14.20 C ATOM 1261 O HIS A 82 -6.636 8.900 1.115 1.00 63.51 O ATOM 1262 CB HIS A 82 -7.960 7.094 -0.839 1.00 43.30 C ATOM 1263 CG HIS A 82 -9.251 6.436 -1.230 1.00 2.10 C ATOM 1264 ND1 HIS A 82 -9.364 5.083 -1.461 1.00 23.52 N ATOM 1265 CD2 HIS A 82 -10.495 6.945 -1.400 1.00 13.44 C ATOM 1266 CE1 HIS A 82 -10.613 4.791 -1.754 1.00 43.14 C ATOM 1267 NE2 HIS A 82 -11.321 5.900 -1.726 1.00 1.02 N ATOM 0 H HIS A 82 -7.334 8.827 -2.819 1.00 44.21 H new ATOM 0 HA HIS A 82 -8.929 8.954 -0.323 1.00 33.11 H new ATOM 0 HB2 HIS A 82 -7.177 6.774 -1.526 1.00 43.30 H new ATOM 0 HB3 HIS A 82 -7.673 6.749 0.154 1.00 43.30 H new ATOM 0 HD2 HIS A 82 -10.783 7.981 -1.298 1.00 13.44 H new ATOM 0 HE1 HIS A 82 -10.994 3.806 -1.980 1.00 43.14 H new ATOM 0 HE2 HIS A 82 -12.321 5.971 -1.916 1.00 1.02 H new ATOM 1276 N LYS A 83 -6.026 10.042 -0.733 1.00 64.13 N ATOM 1277 CA LYS A 83 -4.848 10.677 -0.118 1.00 30.51 C ATOM 1278 C LYS A 83 -3.831 9.632 0.384 1.00 11.04 C ATOM 1279 O LYS A 83 -3.137 9.849 1.384 1.00 63.30 O ATOM 1280 CB LYS A 83 -5.281 11.601 1.033 1.00 30.04 C ATOM 1281 CG LYS A 83 -6.207 12.732 0.596 1.00 34.23 C ATOM 1282 CD LYS A 83 -6.622 13.607 1.776 1.00 54.43 C ATOM 1283 CE LYS A 83 -7.526 14.753 1.339 1.00 45.13 C ATOM 1284 NZ LYS A 83 -6.850 15.672 0.384 1.00 2.34 N ATOM 0 H LYS A 83 -6.173 10.298 -1.709 1.00 64.13 H new ATOM 0 HA LYS A 83 -4.354 11.272 -0.886 1.00 30.51 H new ATOM 0 HB2 LYS A 83 -5.784 11.006 1.795 1.00 30.04 H new ATOM 0 HB3 LYS A 83 -4.393 12.029 1.497 1.00 30.04 H new ATOM 0 HG2 LYS A 83 -5.705 13.345 -0.153 1.00 34.23 H new ATOM 0 HG3 LYS A 83 -7.095 12.313 0.123 1.00 34.23 H new ATOM 0 HD2 LYS A 83 -7.140 12.997 2.516 1.00 54.43 H new ATOM 0 HD3 LYS A 83 -5.733 14.010 2.261 1.00 54.43 H new ATOM 0 HE2 LYS A 83 -8.425 14.347 0.875 1.00 45.13 H new ATOM 0 HE3 LYS A 83 -7.846 15.315 2.216 1.00 45.13 H new ATOM 0 HZ1 LYS A 83 -7.410 16.543 0.285 1.00 2.34 H new ATOM 0 HZ2 LYS A 83 -5.902 15.908 0.741 1.00 2.34 H new ATOM 0 HZ3 LYS A 83 -6.765 15.208 -0.543 1.00 2.34 H new ATOM 1298 N VAL A 84 -3.736 8.511 -0.330 1.00 21.34 N ATOM 1299 CA VAL A 84 -2.805 7.429 0.026 1.00 32.02 C ATOM 1300 C VAL A 84 -1.596 7.394 -0.927 1.00 62.14 C ATOM 1301 O VAL A 84 -1.747 7.510 -2.145 1.00 75.52 O ATOM 1302 CB VAL A 84 -3.514 6.048 0.006 1.00 12.32 C ATOM 1303 CG1 VAL A 84 -2.539 4.924 0.365 1.00 21.12 C ATOM 1304 CG2 VAL A 84 -4.719 6.042 0.950 1.00 71.41 C ATOM 0 H VAL A 84 -4.293 8.323 -1.163 1.00 21.34 H new ATOM 0 HA VAL A 84 -2.453 7.634 1.037 1.00 32.02 H new ATOM 0 HB VAL A 84 -3.873 5.871 -1.008 1.00 12.32 H new ATOM 0 HG11 VAL A 84 -3.062 3.968 0.343 1.00 21.12 H new ATOM 0 HG12 VAL A 84 -1.722 4.907 -0.356 1.00 21.12 H new ATOM 0 HG13 VAL A 84 -2.138 5.096 1.364 1.00 21.12 H new ATOM 0 HG21 VAL A 84 -5.200 5.064 0.920 1.00 71.41 H new ATOM 0 HG22 VAL A 84 -4.386 6.251 1.967 1.00 71.41 H new ATOM 0 HG23 VAL A 84 -5.430 6.806 0.637 1.00 71.41 H new ATOM 1314 N PHE A 85 -0.403 7.235 -0.359 1.00 44.33 N ATOM 1315 CA PHE A 85 0.839 7.166 -1.137 1.00 22.34 C ATOM 1316 C PHE A 85 1.781 6.088 -0.571 1.00 54.44 C ATOM 1317 O PHE A 85 2.239 6.183 0.566 1.00 31.23 O ATOM 1318 CB PHE A 85 1.540 8.534 -1.133 1.00 65.32 C ATOM 1319 CG PHE A 85 2.843 8.558 -1.896 1.00 3.14 C ATOM 1320 CD1 PHE A 85 2.851 8.647 -3.282 1.00 70.55 C ATOM 1321 CD2 PHE A 85 4.061 8.486 -1.229 1.00 55.23 C ATOM 1322 CE1 PHE A 85 4.041 8.665 -3.983 1.00 32.34 C ATOM 1323 CE2 PHE A 85 5.253 8.503 -1.929 1.00 62.13 C ATOM 1324 CZ PHE A 85 5.242 8.592 -3.306 1.00 60.22 C ATOM 0 H PHE A 85 -0.266 7.150 0.648 1.00 44.33 H new ATOM 0 HA PHE A 85 0.587 6.896 -2.163 1.00 22.34 H new ATOM 0 HB2 PHE A 85 0.867 9.277 -1.560 1.00 65.32 H new ATOM 0 HB3 PHE A 85 1.729 8.831 -0.101 1.00 65.32 H new ATOM 0 HD1 PHE A 85 1.915 8.703 -3.818 1.00 70.55 H new ATOM 0 HD2 PHE A 85 4.076 8.416 -0.151 1.00 55.23 H new ATOM 0 HE1 PHE A 85 4.032 8.736 -5.061 1.00 32.34 H new ATOM 0 HE2 PHE A 85 6.192 8.447 -1.399 1.00 62.13 H new ATOM 0 HZ PHE A 85 6.173 8.605 -3.854 1.00 60.22 H new ATOM 1334 N VAL A 86 2.055 5.058 -1.369 1.00 34.11 N ATOM 1335 CA VAL A 86 2.960 3.975 -0.959 1.00 11.10 C ATOM 1336 C VAL A 86 4.242 3.970 -1.808 1.00 64.23 C ATOM 1337 O VAL A 86 4.173 3.939 -3.034 1.00 33.31 O ATOM 1338 CB VAL A 86 2.268 2.594 -1.083 1.00 31.25 C ATOM 1339 CG1 VAL A 86 3.187 1.473 -0.598 1.00 3.42 C ATOM 1340 CG2 VAL A 86 0.948 2.582 -0.315 1.00 44.11 C ATOM 0 H VAL A 86 1.665 4.946 -2.305 1.00 34.11 H new ATOM 0 HA VAL A 86 3.222 4.155 0.084 1.00 11.10 H new ATOM 0 HB VAL A 86 2.053 2.418 -2.137 1.00 31.25 H new ATOM 0 HG11 VAL A 86 2.676 0.515 -0.696 1.00 3.42 H new ATOM 0 HG12 VAL A 86 4.096 1.462 -1.199 1.00 3.42 H new ATOM 0 HG13 VAL A 86 3.445 1.641 0.448 1.00 3.42 H new ATOM 0 HG21 VAL A 86 0.478 1.604 -0.415 1.00 44.11 H new ATOM 0 HG22 VAL A 86 1.138 2.788 0.738 1.00 44.11 H new ATOM 0 HG23 VAL A 86 0.285 3.346 -0.720 1.00 44.11 H new ATOM 1350 N GLU A 87 5.405 3.998 -1.160 1.00 23.33 N ATOM 1351 CA GLU A 87 6.688 3.975 -1.879 1.00 43.43 C ATOM 1352 C GLU A 87 7.540 2.764 -1.470 1.00 33.50 C ATOM 1353 O GLU A 87 7.634 2.422 -0.291 1.00 23.24 O ATOM 1354 CB GLU A 87 7.476 5.276 -1.639 1.00 3.21 C ATOM 1355 CG GLU A 87 7.905 5.486 -0.191 1.00 22.34 C ATOM 1356 CD GLU A 87 8.784 6.714 -0.010 1.00 55.55 C ATOM 1357 OE1 GLU A 87 10.004 6.623 -0.267 1.00 72.41 O ATOM 1358 OE2 GLU A 87 8.262 7.775 0.390 1.00 63.41 O ATOM 0 H GLU A 87 5.491 4.036 -0.144 1.00 23.33 H new ATOM 0 HA GLU A 87 6.461 3.891 -2.942 1.00 43.43 H new ATOM 0 HB2 GLU A 87 8.363 5.273 -2.273 1.00 3.21 H new ATOM 0 HB3 GLU A 87 6.864 6.122 -1.952 1.00 3.21 H new ATOM 0 HG2 GLU A 87 7.018 5.584 0.436 1.00 22.34 H new ATOM 0 HG3 GLU A 87 8.444 4.604 0.155 1.00 22.34 H new ATOM 1365 N ILE A 88 8.153 2.108 -2.451 1.00 60.33 N ATOM 1366 CA ILE A 88 9.039 0.970 -2.186 1.00 24.11 C ATOM 1367 C ILE A 88 10.516 1.373 -2.303 1.00 23.54 C ATOM 1368 O ILE A 88 10.967 1.829 -3.360 1.00 1.35 O ATOM 1369 CB ILE A 88 8.753 -0.208 -3.149 1.00 71.25 C ATOM 1370 CG1 ILE A 88 7.292 -0.665 -3.009 1.00 0.15 C ATOM 1371 CG2 ILE A 88 9.714 -1.372 -2.890 1.00 3.02 C ATOM 1372 CD1 ILE A 88 6.917 -1.805 -3.927 1.00 13.41 C ATOM 0 H ILE A 88 8.055 2.342 -3.439 1.00 60.33 H new ATOM 0 HA ILE A 88 8.838 0.647 -1.164 1.00 24.11 H new ATOM 0 HB ILE A 88 8.913 0.135 -4.171 1.00 71.25 H new ATOM 0 HG12 ILE A 88 7.114 -0.968 -1.977 1.00 0.15 H new ATOM 0 HG13 ILE A 88 6.636 0.182 -3.210 1.00 0.15 H new ATOM 0 HG21 ILE A 88 9.493 -2.187 -3.579 1.00 3.02 H new ATOM 0 HG22 ILE A 88 10.740 -1.037 -3.042 1.00 3.02 H new ATOM 0 HG23 ILE A 88 9.594 -1.721 -1.864 1.00 3.02 H new ATOM 0 HD11 ILE A 88 5.872 -2.070 -3.769 1.00 13.41 H new ATOM 0 HD12 ILE A 88 7.062 -1.500 -4.963 1.00 13.41 H new ATOM 0 HD13 ILE A 88 7.547 -2.668 -3.711 1.00 13.41 H new ATOM 1384 N LYS A 89 11.258 1.197 -1.215 1.00 2.04 N ATOM 1385 CA LYS A 89 12.683 1.546 -1.165 1.00 24.31 C ATOM 1386 C LYS A 89 13.532 0.339 -0.744 1.00 10.13 C ATOM 1387 O LYS A 89 13.091 -0.498 0.043 1.00 54.50 O ATOM 1388 CB LYS A 89 12.899 2.715 -0.193 1.00 53.34 C ATOM 1389 CG LYS A 89 12.348 2.459 1.209 1.00 53.10 C ATOM 1390 CD LYS A 89 12.523 3.671 2.124 1.00 2.40 C ATOM 1391 CE LYS A 89 13.994 4.009 2.351 1.00 73.30 C ATOM 1392 NZ LYS A 89 14.719 2.913 3.054 1.00 53.12 N ATOM 0 H LYS A 89 10.895 0.810 -0.344 1.00 2.04 H new ATOM 0 HA LYS A 89 13.000 1.847 -2.164 1.00 24.31 H new ATOM 0 HB2 LYS A 89 13.966 2.924 -0.122 1.00 53.34 H new ATOM 0 HB3 LYS A 89 12.426 3.608 -0.602 1.00 53.34 H new ATOM 0 HG2 LYS A 89 11.290 2.205 1.142 1.00 53.10 H new ATOM 0 HG3 LYS A 89 12.855 1.599 1.646 1.00 53.10 H new ATOM 0 HD2 LYS A 89 12.017 4.531 1.687 1.00 2.40 H new ATOM 0 HD3 LYS A 89 12.044 3.473 3.083 1.00 2.40 H new ATOM 0 HE2 LYS A 89 14.473 4.203 1.391 1.00 73.30 H new ATOM 0 HE3 LYS A 89 14.069 4.926 2.936 1.00 73.30 H new ATOM 0 HZ1 LYS A 89 15.662 3.247 3.338 1.00 53.12 H new ATOM 0 HZ2 LYS A 89 14.183 2.629 3.899 1.00 53.12 H new ATOM 0 HZ3 LYS A 89 14.818 2.097 2.416 1.00 53.12 H new ATOM 1406 N SER A 90 14.750 0.252 -1.267 1.00 1.33 N ATOM 1407 CA SER A 90 15.643 -0.878 -0.968 1.00 12.13 C ATOM 1408 C SER A 90 16.563 -0.587 0.223 1.00 52.11 C ATOM 1409 O SER A 90 16.918 0.560 0.488 1.00 0.03 O ATOM 1410 CB SER A 90 16.504 -1.239 -2.185 1.00 72.11 C ATOM 1411 OG SER A 90 17.378 -2.325 -1.889 1.00 61.23 O ATOM 0 H SER A 90 15.148 0.946 -1.900 1.00 1.33 H new ATOM 0 HA SER A 90 14.998 -1.719 -0.712 1.00 12.13 H new ATOM 0 HB2 SER A 90 15.861 -1.504 -3.024 1.00 72.11 H new ATOM 0 HB3 SER A 90 17.088 -0.371 -2.492 1.00 72.11 H new ATOM 0 HG SER A 90 16.921 -2.961 -1.300 1.00 61.23 H new ATOM 1417 N THR A 91 16.932 -1.642 0.943 1.00 64.14 N ATOM 1418 CA THR A 91 17.908 -1.540 2.035 1.00 32.22 C ATOM 1419 C THR A 91 19.343 -1.507 1.483 1.00 73.21 C ATOM 1420 O THR A 91 20.295 -1.178 2.196 1.00 63.32 O ATOM 1421 CB THR A 91 17.777 -2.730 3.018 1.00 1.23 C ATOM 1422 OG1 THR A 91 18.146 -3.950 2.360 1.00 13.13 O ATOM 1423 CG2 THR A 91 16.351 -2.854 3.547 1.00 51.23 C ATOM 0 H THR A 91 16.571 -2.584 0.793 1.00 64.14 H new ATOM 0 HA THR A 91 17.699 -0.612 2.567 1.00 32.22 H new ATOM 0 HB THR A 91 18.445 -2.546 3.859 1.00 1.23 H new ATOM 0 HG1 THR A 91 18.249 -4.662 3.025 1.00 13.13 H new ATOM 0 HG21 THR A 91 16.290 -3.698 4.234 1.00 51.23 H new ATOM 0 HG22 THR A 91 16.076 -1.939 4.071 1.00 51.23 H new ATOM 0 HG23 THR A 91 15.667 -3.014 2.714 1.00 51.23 H new ATOM 1431 N GLN A 92 19.488 -1.856 0.204 1.00 13.24 N ATOM 1432 CA GLN A 92 20.787 -1.820 -0.474 1.00 72.24 C ATOM 1433 C GLN A 92 21.050 -0.437 -1.092 1.00 71.21 C ATOM 1434 O GLN A 92 20.178 0.141 -1.746 1.00 53.44 O ATOM 1435 CB GLN A 92 20.846 -2.906 -1.559 1.00 42.22 C ATOM 1436 CG GLN A 92 20.784 -4.329 -1.012 1.00 33.40 C ATOM 1437 CD GLN A 92 21.965 -4.668 -0.119 1.00 21.03 C ATOM 1438 OE1 GLN A 92 21.922 -4.475 1.094 1.00 5.25 O ATOM 1439 NE2 GLN A 92 23.029 -5.166 -0.711 1.00 33.31 N ATOM 0 H GLN A 92 18.718 -2.169 -0.387 1.00 13.24 H new ATOM 0 HA GLN A 92 21.563 -2.013 0.267 1.00 72.24 H new ATOM 0 HB2 GLN A 92 20.019 -2.758 -2.253 1.00 42.22 H new ATOM 0 HB3 GLN A 92 21.767 -2.786 -2.130 1.00 42.22 H new ATOM 0 HG2 GLN A 92 19.860 -4.457 -0.449 1.00 33.40 H new ATOM 0 HG3 GLN A 92 20.750 -5.032 -1.844 1.00 33.40 H new ATOM 0 HE21 GLN A 92 23.029 -5.313 -1.720 1.00 33.31 H new ATOM 0 HE22 GLN A 92 23.854 -5.405 -0.161 1.00 33.31 H new ATOM 1448 N LYS A 93 22.259 0.084 -0.882 1.00 65.12 N ATOM 1449 CA LYS A 93 22.635 1.414 -1.381 1.00 31.44 C ATOM 1450 C LYS A 93 22.538 1.532 -2.920 1.00 30.22 C ATOM 1451 O LYS A 93 22.671 0.550 -3.653 1.00 2.43 O ATOM 1452 CB LYS A 93 24.048 1.800 -0.885 1.00 70.43 C ATOM 1453 CG LYS A 93 25.078 0.663 -0.892 1.00 64.41 C ATOM 1454 CD LYS A 93 25.414 0.168 -2.296 1.00 1.13 C ATOM 1455 CE LYS A 93 26.438 -0.963 -2.263 1.00 33.23 C ATOM 1456 NZ LYS A 93 26.706 -1.514 -3.619 1.00 64.31 N ATOM 0 H LYS A 93 22.999 -0.394 -0.368 1.00 65.12 H new ATOM 0 HA LYS A 93 21.911 2.119 -0.973 1.00 31.44 H new ATOM 0 HB2 LYS A 93 24.424 2.613 -1.507 1.00 70.43 H new ATOM 0 HB3 LYS A 93 23.966 2.187 0.131 1.00 70.43 H new ATOM 0 HG2 LYS A 93 25.991 1.005 -0.406 1.00 64.41 H new ATOM 0 HG3 LYS A 93 24.695 -0.170 -0.302 1.00 64.41 H new ATOM 0 HD2 LYS A 93 24.505 -0.178 -2.788 1.00 1.13 H new ATOM 0 HD3 LYS A 93 25.803 0.995 -2.890 1.00 1.13 H new ATOM 0 HE2 LYS A 93 27.369 -0.596 -1.831 1.00 33.23 H new ATOM 0 HE3 LYS A 93 26.077 -1.760 -1.613 1.00 33.23 H new ATOM 0 HZ1 LYS A 93 27.407 -2.279 -3.550 1.00 64.31 H new ATOM 0 HZ2 LYS A 93 25.823 -1.888 -4.023 1.00 64.31 H new ATOM 0 HZ3 LYS A 93 27.075 -0.760 -4.233 1.00 64.31 H new ATOM 1470 N ASP A 94 22.294 2.754 -3.388 1.00 71.23 N ATOM 1471 CA ASP A 94 22.152 3.047 -4.820 1.00 72.03 C ATOM 1472 C ASP A 94 23.502 3.410 -5.474 1.00 65.42 C ATOM 1473 O ASP A 94 24.546 3.400 -4.818 1.00 64.43 O ATOM 1474 CB ASP A 94 21.166 4.208 -4.992 1.00 14.13 C ATOM 1475 CG ASP A 94 21.626 5.452 -4.248 1.00 51.21 C ATOM 1476 OD1 ASP A 94 21.649 5.427 -3.001 1.00 41.54 O ATOM 1477 OD2 ASP A 94 21.997 6.447 -4.901 1.00 62.21 O ATOM 0 H ASP A 94 22.188 3.572 -2.788 1.00 71.23 H new ATOM 0 HA ASP A 94 21.781 2.150 -5.316 1.00 72.03 H new ATOM 0 HB2 ASP A 94 21.056 4.438 -6.052 1.00 14.13 H new ATOM 0 HB3 ASP A 94 20.184 3.908 -4.627 1.00 14.13 H new ATOM 1482 N SER A 95 23.461 3.742 -6.770 1.00 21.33 N ATOM 1483 CA SER A 95 24.670 4.140 -7.517 1.00 21.53 C ATOM 1484 C SER A 95 24.311 4.798 -8.859 1.00 20.14 C ATOM 1485 O SER A 95 23.168 4.717 -9.320 1.00 22.24 O ATOM 1486 CB SER A 95 25.575 2.925 -7.769 1.00 24.24 C ATOM 1487 OG SER A 95 26.765 3.295 -8.456 1.00 0.02 O ATOM 0 H SER A 95 22.606 3.744 -7.327 1.00 21.33 H new ATOM 0 HA SER A 95 25.203 4.868 -6.906 1.00 21.53 H new ATOM 0 HB2 SER A 95 25.833 2.458 -6.818 1.00 24.24 H new ATOM 0 HB3 SER A 95 25.033 2.181 -8.353 1.00 24.24 H new ATOM 0 HG SER A 95 27.320 2.500 -8.600 1.00 0.02 H new ATOM 1493 N LYS A 96 25.299 5.436 -9.491 1.00 22.53 N ATOM 1494 CA LYS A 96 25.090 6.133 -10.768 1.00 64.52 C ATOM 1495 C LYS A 96 26.361 6.133 -11.634 1.00 73.44 C ATOM 1496 O LYS A 96 27.463 5.897 -11.137 1.00 42.41 O ATOM 1497 CB LYS A 96 24.599 7.578 -10.512 1.00 43.35 C ATOM 1498 CG LYS A 96 25.416 8.373 -9.482 1.00 61.32 C ATOM 1499 CD LYS A 96 26.772 8.845 -10.017 1.00 61.54 C ATOM 1500 CE LYS A 96 26.619 9.852 -11.156 1.00 21.02 C ATOM 1501 NZ LYS A 96 25.973 11.112 -10.702 1.00 13.13 N ATOM 0 H LYS A 96 26.255 5.486 -9.140 1.00 22.53 H new ATOM 0 HA LYS A 96 24.323 5.592 -11.323 1.00 64.52 H new ATOM 0 HB2 LYS A 96 24.609 8.121 -11.457 1.00 43.35 H new ATOM 0 HB3 LYS A 96 23.562 7.539 -10.178 1.00 43.35 H new ATOM 0 HG2 LYS A 96 24.838 9.240 -9.161 1.00 61.32 H new ATOM 0 HG3 LYS A 96 25.577 7.753 -8.600 1.00 61.32 H new ATOM 0 HD2 LYS A 96 27.344 9.298 -9.207 1.00 61.54 H new ATOM 0 HD3 LYS A 96 27.343 7.985 -10.368 1.00 61.54 H new ATOM 0 HE2 LYS A 96 27.600 10.078 -11.575 1.00 21.02 H new ATOM 0 HE3 LYS A 96 26.026 9.408 -11.955 1.00 21.02 H new ATOM 0 HZ1 LYS A 96 26.040 11.827 -11.454 1.00 13.13 H new ATOM 0 HZ2 LYS A 96 24.972 10.930 -10.485 1.00 13.13 H new ATOM 0 HZ3 LYS A 96 26.454 11.461 -9.849 1.00 13.13 H new ATOM 1515 N ASP A 97 26.205 6.404 -12.928 1.00 24.12 N ATOM 1516 CA ASP A 97 27.345 6.478 -13.849 1.00 41.21 C ATOM 1517 C ASP A 97 27.836 7.925 -14.031 1.00 71.24 C ATOM 1518 O ASP A 97 27.102 8.777 -14.538 1.00 51.14 O ATOM 1519 CB ASP A 97 26.969 5.897 -15.217 1.00 60.34 C ATOM 1520 CG ASP A 97 26.681 4.410 -15.160 1.00 41.52 C ATOM 1521 OD1 ASP A 97 27.588 3.638 -14.788 1.00 35.55 O ATOM 1522 OD2 ASP A 97 25.546 4.002 -15.497 1.00 73.04 O ATOM 0 H ASP A 97 25.300 6.577 -13.366 1.00 24.12 H new ATOM 0 HA ASP A 97 28.152 5.892 -13.409 1.00 41.21 H new ATOM 0 HB2 ASP A 97 26.092 6.419 -15.600 1.00 60.34 H new ATOM 0 HB3 ASP A 97 27.781 6.079 -15.921 1.00 60.34 H new ATOM 1527 N PRO A 98 29.078 8.230 -13.599 1.00 14.33 N ATOM 1528 CA PRO A 98 29.724 9.519 -13.897 1.00 13.33 C ATOM 1529 C PRO A 98 30.011 9.674 -15.401 1.00 74.53 C ATOM 1530 O PRO A 98 30.120 10.788 -15.919 1.00 5.42 O ATOM 1531 CB PRO A 98 31.040 9.463 -13.096 1.00 73.32 C ATOM 1532 CG PRO A 98 30.855 8.354 -12.110 1.00 21.03 C ATOM 1533 CD PRO A 98 29.935 7.366 -12.773 1.00 31.43 C ATOM 0 HA PRO A 98 29.095 10.368 -13.630 1.00 13.33 H new ATOM 0 HB2 PRO A 98 31.891 9.270 -13.750 1.00 73.32 H new ATOM 0 HB3 PRO A 98 31.234 10.410 -12.592 1.00 73.32 H new ATOM 0 HG2 PRO A 98 31.809 7.892 -11.858 1.00 21.03 H new ATOM 0 HG3 PRO A 98 30.425 8.725 -11.180 1.00 21.03 H new ATOM 0 HD2 PRO A 98 30.484 6.643 -13.377 1.00 31.43 H new ATOM 0 HD3 PRO A 98 29.356 6.799 -12.044 1.00 31.43 H new ATOM 1541 N ASP A 99 30.136 8.539 -16.088 1.00 61.41 N ATOM 1542 CA ASP A 99 30.368 8.515 -17.533 1.00 73.41 C ATOM 1543 C ASP A 99 29.114 8.940 -18.313 1.00 13.41 C ATOM 1544 O ASP A 99 28.264 8.110 -18.646 1.00 44.00 O ATOM 1545 CB ASP A 99 30.796 7.112 -17.973 1.00 33.32 C ATOM 1546 CG ASP A 99 31.983 6.596 -17.187 1.00 33.45 C ATOM 1547 OD1 ASP A 99 31.771 6.014 -16.103 1.00 2.45 O ATOM 1548 OD2 ASP A 99 33.131 6.765 -17.653 1.00 33.20 O ATOM 0 H ASP A 99 30.080 7.614 -15.662 1.00 61.41 H new ATOM 0 HA ASP A 99 31.163 9.228 -17.753 1.00 73.41 H new ATOM 0 HB2 ASP A 99 29.958 6.425 -17.853 1.00 33.32 H new ATOM 0 HB3 ASP A 99 31.046 7.128 -19.034 1.00 33.32 H new ATOM 1553 N THR A 100 28.999 10.233 -18.592 1.00 32.13 N ATOM 1554 CA THR A 100 27.868 10.765 -19.361 1.00 43.32 C ATOM 1555 C THR A 100 28.075 10.563 -20.866 1.00 21.33 C ATOM 1556 O THR A 100 29.203 10.357 -21.331 1.00 74.25 O ATOM 1557 CB THR A 100 27.660 12.270 -19.087 1.00 53.22 C ATOM 1558 OG1 THR A 100 28.841 13.001 -19.453 1.00 71.05 O ATOM 1559 CG2 THR A 100 27.337 12.525 -17.618 1.00 11.14 C ATOM 0 H THR A 100 29.675 10.939 -18.298 1.00 32.13 H new ATOM 0 HA THR A 100 26.984 10.214 -19.039 1.00 43.32 H new ATOM 0 HB THR A 100 26.816 12.608 -19.688 1.00 53.22 H new ATOM 0 HG1 THR A 100 28.702 13.955 -19.278 1.00 71.05 H new ATOM 0 HG21 THR A 100 27.196 13.594 -17.457 1.00 11.14 H new ATOM 0 HG22 THR A 100 26.424 11.994 -17.349 1.00 11.14 H new ATOM 0 HG23 THR A 100 28.160 12.170 -16.998 1.00 11.14 H new ATOM 1567 N ASP A 101 26.988 10.622 -21.627 1.00 73.10 N ATOM 1568 CA ASP A 101 27.056 10.471 -23.080 1.00 42.04 C ATOM 1569 C ASP A 101 27.277 11.827 -23.770 1.00 55.02 C ATOM 1570 O ASP A 101 26.526 12.782 -23.554 1.00 62.11 O ATOM 1571 CB ASP A 101 25.779 9.802 -23.606 1.00 1.32 C ATOM 1572 CG ASP A 101 24.525 10.586 -23.265 1.00 10.31 C ATOM 1573 OD1 ASP A 101 24.088 10.538 -22.098 1.00 25.10 O ATOM 1574 OD2 ASP A 101 23.973 11.262 -24.158 1.00 0.14 O ATOM 0 H ASP A 101 26.047 10.773 -21.264 1.00 73.10 H new ATOM 0 HA ASP A 101 27.909 9.834 -23.314 1.00 42.04 H new ATOM 0 HB2 ASP A 101 25.851 9.692 -24.688 1.00 1.32 H new ATOM 0 HB3 ASP A 101 25.700 8.799 -23.188 1.00 1.32 H new ATOM 1579 N LEU A 102 28.321 11.913 -24.584 1.00 33.40 N ATOM 1580 CA LEU A 102 28.602 13.129 -25.349 1.00 65.53 C ATOM 1581 C LEU A 102 28.017 13.026 -26.765 1.00 13.11 C ATOM 1582 O LEU A 102 28.485 12.231 -27.584 1.00 23.15 O ATOM 1583 CB LEU A 102 30.116 13.381 -25.419 1.00 11.34 C ATOM 1584 CG LEU A 102 30.540 14.634 -26.205 1.00 44.40 C ATOM 1585 CD1 LEU A 102 30.002 15.903 -25.546 1.00 61.22 C ATOM 1586 CD2 LEU A 102 32.060 14.697 -26.344 1.00 45.03 C ATOM 0 H LEU A 102 28.989 11.157 -24.734 1.00 33.40 H new ATOM 0 HA LEU A 102 28.130 13.969 -24.839 1.00 65.53 H new ATOM 0 HB2 LEU A 102 30.501 13.463 -24.403 1.00 11.34 H new ATOM 0 HB3 LEU A 102 30.592 12.511 -25.871 1.00 11.34 H new ATOM 0 HG LEU A 102 30.109 14.566 -27.204 1.00 44.40 H new ATOM 0 HD11 LEU A 102 30.316 16.773 -26.122 1.00 61.22 H new ATOM 0 HD12 LEU A 102 28.913 15.863 -25.514 1.00 61.22 H new ATOM 0 HD13 LEU A 102 30.392 15.979 -24.531 1.00 61.22 H new ATOM 0 HD21 LEU A 102 32.338 15.591 -26.903 1.00 45.03 H new ATOM 0 HD22 LEU A 102 32.515 14.732 -25.354 1.00 45.03 H new ATOM 0 HD23 LEU A 102 32.414 13.813 -26.874 1.00 45.03 H new ATOM 1598 N ILE A 103 26.981 13.813 -27.038 1.00 70.13 N ATOM 1599 CA ILE A 103 26.337 13.826 -28.356 1.00 54.12 C ATOM 1600 C ILE A 103 26.572 15.165 -29.076 1.00 73.24 C ATOM 1601 O ILE A 103 25.995 16.190 -28.707 1.00 15.43 O ATOM 1602 CB ILE A 103 24.812 13.562 -28.241 1.00 5.32 C ATOM 1603 CG1 ILE A 103 24.551 12.186 -27.603 1.00 52.14 C ATOM 1604 CG2 ILE A 103 24.140 13.658 -29.613 1.00 1.50 C ATOM 1605 CD1 ILE A 103 25.133 11.027 -28.388 1.00 15.31 C ATOM 0 H ILE A 103 26.565 14.455 -26.363 1.00 70.13 H new ATOM 0 HA ILE A 103 26.790 13.025 -28.940 1.00 54.12 H new ATOM 0 HB ILE A 103 24.379 14.328 -27.597 1.00 5.32 H new ATOM 0 HG12 ILE A 103 24.969 12.177 -26.597 1.00 52.14 H new ATOM 0 HG13 ILE A 103 23.475 12.041 -27.502 1.00 52.14 H new ATOM 0 HG21 ILE A 103 23.071 13.469 -29.509 1.00 1.50 H new ATOM 0 HG22 ILE A 103 24.294 14.655 -30.025 1.00 1.50 H new ATOM 0 HG23 ILE A 103 24.575 12.917 -30.284 1.00 1.50 H new ATOM 0 HD11 ILE A 103 24.908 10.091 -27.876 1.00 15.31 H new ATOM 0 HD12 ILE A 103 24.696 11.008 -29.387 1.00 15.31 H new ATOM 0 HD13 ILE A 103 26.214 11.147 -28.467 1.00 15.31 H new ATOM 1617 N VAL A 104 27.439 15.136 -30.090 1.00 42.45 N ATOM 1618 CA VAL A 104 27.774 16.320 -30.897 1.00 53.42 C ATOM 1619 C VAL A 104 28.248 17.516 -30.042 1.00 64.32 C ATOM 1620 O VAL A 104 27.445 18.280 -29.500 1.00 13.41 O ATOM 1621 CB VAL A 104 26.591 16.775 -31.782 1.00 75.31 C ATOM 1622 CG1 VAL A 104 27.008 17.915 -32.711 1.00 13.14 C ATOM 1623 CG2 VAL A 104 26.020 15.599 -32.575 1.00 1.34 C ATOM 0 H VAL A 104 27.932 14.291 -30.379 1.00 42.45 H new ATOM 0 HA VAL A 104 28.599 16.002 -31.534 1.00 53.42 H new ATOM 0 HB VAL A 104 25.805 17.151 -31.127 1.00 75.31 H new ATOM 0 HG11 VAL A 104 26.157 18.216 -33.322 1.00 13.14 H new ATOM 0 HG12 VAL A 104 27.346 18.764 -32.116 1.00 13.14 H new ATOM 0 HG13 VAL A 104 27.819 17.579 -33.358 1.00 13.14 H new ATOM 0 HG21 VAL A 104 25.189 15.944 -33.190 1.00 1.34 H new ATOM 0 HG22 VAL A 104 26.796 15.181 -33.216 1.00 1.34 H new ATOM 0 HG23 VAL A 104 25.667 14.832 -31.885 1.00 1.34 H new ATOM 1633 N PRO A 105 29.570 17.676 -29.904 1.00 63.41 N ATOM 1634 CA PRO A 105 30.178 18.851 -29.255 1.00 43.23 C ATOM 1635 C PRO A 105 30.154 20.099 -30.162 1.00 64.13 C ATOM 1636 O PRO A 105 30.103 19.984 -31.390 1.00 21.33 O ATOM 1637 CB PRO A 105 31.619 18.388 -29.006 1.00 53.24 C ATOM 1638 CG PRO A 105 31.890 17.422 -30.113 1.00 73.44 C ATOM 1639 CD PRO A 105 30.579 16.714 -30.366 1.00 45.01 C ATOM 0 HA PRO A 105 29.646 19.153 -28.353 1.00 43.23 H new ATOM 0 HB2 PRO A 105 32.316 19.226 -29.029 1.00 53.24 H new ATOM 0 HB3 PRO A 105 31.722 17.914 -28.030 1.00 53.24 H new ATOM 0 HG2 PRO A 105 32.235 17.939 -31.008 1.00 73.44 H new ATOM 0 HG3 PRO A 105 32.670 16.714 -29.833 1.00 73.44 H new ATOM 0 HD2 PRO A 105 30.450 16.474 -31.422 1.00 45.01 H new ATOM 0 HD3 PRO A 105 30.518 15.775 -29.816 1.00 45.01 H new ATOM 1647 N ASN A 106 30.197 21.288 -29.559 1.00 64.25 N ATOM 1648 CA ASN A 106 30.149 22.550 -30.317 1.00 54.32 C ATOM 1649 C ASN A 106 31.429 22.783 -31.136 1.00 45.11 C ATOM 1650 O ASN A 106 32.521 22.362 -30.749 1.00 44.13 O ATOM 1651 CB ASN A 106 29.921 23.733 -29.368 1.00 2.01 C ATOM 1652 CG ASN A 106 31.080 23.952 -28.414 1.00 30.22 C ATOM 1653 OD1 ASN A 106 31.165 23.327 -27.361 1.00 31.23 O ATOM 1654 ND2 ASN A 106 31.982 24.847 -28.768 1.00 61.55 N ATOM 0 H ASN A 106 30.265 21.409 -28.548 1.00 64.25 H new ATOM 0 HA ASN A 106 29.316 22.473 -31.016 1.00 54.32 H new ATOM 0 HB2 ASN A 106 29.763 24.638 -29.954 1.00 2.01 H new ATOM 0 HB3 ASN A 106 29.011 23.562 -28.794 1.00 2.01 H new ATOM 0 HD21 ASN A 106 32.779 25.036 -28.160 1.00 61.55 H new ATOM 0 HD22 ASN A 106 31.883 25.350 -29.650 1.00 61.55 H new ATOM 1661 N LEU A 107 31.283 23.458 -32.273 1.00 22.04 N ATOM 1662 CA LEU A 107 32.422 23.829 -33.120 1.00 73.04 C ATOM 1663 C LEU A 107 32.916 25.246 -32.778 1.00 31.05 C ATOM 1664 O LEU A 107 32.443 25.867 -31.823 1.00 13.14 O ATOM 1665 CB LEU A 107 32.040 23.754 -34.612 1.00 4.22 C ATOM 1666 CG LEU A 107 31.737 22.348 -35.170 1.00 5.41 C ATOM 1667 CD1 LEU A 107 32.884 21.386 -34.874 1.00 44.21 C ATOM 1668 CD2 LEU A 107 30.414 21.804 -34.627 1.00 35.41 C ATOM 0 H LEU A 107 30.380 23.763 -32.635 1.00 22.04 H new ATOM 0 HA LEU A 107 33.227 23.120 -32.928 1.00 73.04 H new ATOM 0 HB2 LEU A 107 31.164 24.382 -34.773 1.00 4.22 H new ATOM 0 HB3 LEU A 107 32.853 24.186 -35.196 1.00 4.22 H new ATOM 0 HG LEU A 107 31.638 22.437 -36.252 1.00 5.41 H new ATOM 0 HD11 LEU A 107 32.647 20.402 -35.277 1.00 44.21 H new ATOM 0 HD12 LEU A 107 33.799 21.757 -35.337 1.00 44.21 H new ATOM 0 HD13 LEU A 107 33.027 21.311 -33.796 1.00 44.21 H new ATOM 0 HD21 LEU A 107 30.231 20.812 -35.040 1.00 35.41 H new ATOM 0 HD22 LEU A 107 30.465 21.740 -33.540 1.00 35.41 H new ATOM 0 HD23 LEU A 107 29.601 22.472 -34.913 1.00 35.41 H new ATOM 1680 N GLU A 108 33.866 25.753 -33.561 1.00 64.40 N ATOM 1681 CA GLU A 108 34.409 27.099 -33.350 1.00 40.41 C ATOM 1682 C GLU A 108 34.197 27.992 -34.585 1.00 5.24 C ATOM 1683 O GLU A 108 33.443 27.639 -35.499 1.00 41.04 O ATOM 1684 CB GLU A 108 35.902 27.008 -32.970 1.00 42.31 C ATOM 1685 CG GLU A 108 36.761 26.142 -33.900 1.00 11.32 C ATOM 1686 CD GLU A 108 37.111 26.818 -35.221 1.00 12.21 C ATOM 1687 OE1 GLU A 108 38.090 27.596 -35.252 1.00 40.24 O ATOM 1688 OE2 GLU A 108 36.421 26.564 -36.231 1.00 42.51 O ATOM 0 H GLU A 108 34.278 25.254 -34.349 1.00 64.40 H new ATOM 0 HA GLU A 108 33.869 27.565 -32.526 1.00 40.41 H new ATOM 0 HB2 GLU A 108 36.318 28.015 -32.951 1.00 42.31 H new ATOM 0 HB3 GLU A 108 35.979 26.612 -31.957 1.00 42.31 H new ATOM 0 HG2 GLU A 108 37.683 25.875 -33.384 1.00 11.32 H new ATOM 0 HG3 GLU A 108 36.231 25.212 -34.107 1.00 11.32 H new ATOM 1695 N HIS A 109 34.844 29.153 -34.602 1.00 73.23 N ATOM 1696 CA HIS A 109 34.749 30.080 -35.736 1.00 22.50 C ATOM 1697 C HIS A 109 36.131 30.326 -36.369 1.00 20.22 C ATOM 1698 O HIS A 109 36.954 31.072 -35.832 1.00 14.43 O ATOM 1699 CB HIS A 109 34.102 31.403 -35.293 1.00 23.22 C ATOM 1700 CG HIS A 109 34.664 31.961 -34.017 1.00 43.02 C ATOM 1701 ND1 HIS A 109 34.133 31.684 -32.775 1.00 75.25 N ATOM 1702 CD2 HIS A 109 35.716 32.785 -33.793 1.00 65.43 C ATOM 1703 CE1 HIS A 109 34.831 32.307 -31.849 1.00 12.02 C ATOM 1704 NE2 HIS A 109 35.798 32.982 -32.438 1.00 31.53 N ATOM 0 H HIS A 109 35.443 29.479 -33.843 1.00 73.23 H new ATOM 0 HA HIS A 109 34.115 29.625 -36.497 1.00 22.50 H new ATOM 0 HB2 HIS A 109 34.227 32.140 -36.086 1.00 23.22 H new ATOM 0 HB3 HIS A 109 33.030 31.248 -35.169 1.00 23.22 H new ATOM 0 HD2 HIS A 109 36.369 33.208 -34.542 1.00 65.43 H new ATOM 0 HE1 HIS A 109 34.643 32.271 -30.786 1.00 12.02 H new ATOM 0 HE2 HIS A 109 36.494 33.557 -31.963 1.00 31.53 H new ATOM 1713 N HIS A 110 36.385 29.687 -37.510 1.00 14.41 N ATOM 1714 CA HIS A 110 37.686 29.787 -38.182 1.00 41.55 C ATOM 1715 C HIS A 110 37.947 31.190 -38.762 1.00 61.50 C ATOM 1716 O HIS A 110 37.555 31.498 -39.889 1.00 73.42 O ATOM 1717 CB HIS A 110 37.816 28.717 -39.279 1.00 43.45 C ATOM 1718 CG HIS A 110 38.739 27.594 -38.905 1.00 35.21 C ATOM 1719 ND1 HIS A 110 38.328 26.480 -38.207 1.00 51.11 N ATOM 1720 CD2 HIS A 110 40.067 27.421 -39.124 1.00 53.12 C ATOM 1721 CE1 HIS A 110 39.353 25.677 -38.011 1.00 60.41 C ATOM 1722 NE2 HIS A 110 40.419 26.222 -38.557 1.00 54.31 N ATOM 0 H HIS A 110 35.709 29.094 -37.991 1.00 14.41 H new ATOM 0 HA HIS A 110 38.447 29.610 -37.422 1.00 41.55 H new ATOM 0 HB2 HIS A 110 36.829 28.309 -39.498 1.00 43.45 H new ATOM 0 HB3 HIS A 110 38.178 29.186 -40.194 1.00 43.45 H new ATOM 0 HD1 HIS A 110 37.375 26.304 -37.890 1.00 51.11 H new ATOM 0 HD2 HIS A 110 40.724 28.100 -39.647 1.00 53.12 H new ATOM 0 HE1 HIS A 110 39.324 24.731 -37.490 1.00 60.41 H new ATOM 1731 N HIS A 111 38.594 32.037 -37.965 1.00 12.13 N ATOM 1732 CA HIS A 111 39.057 33.350 -38.427 1.00 5.12 C ATOM 1733 C HIS A 111 40.587 33.469 -38.289 1.00 34.34 C ATOM 1734 O HIS A 111 41.201 34.394 -38.820 1.00 24.42 O ATOM 1735 CB HIS A 111 38.357 34.465 -37.633 1.00 41.54 C ATOM 1736 CG HIS A 111 38.713 35.850 -38.082 1.00 70.11 C ATOM 1737 ND1 HIS A 111 39.352 36.763 -37.273 1.00 31.30 N ATOM 1738 CD2 HIS A 111 38.507 36.484 -39.262 1.00 2.01 C ATOM 1739 CE1 HIS A 111 39.524 37.890 -37.930 1.00 75.02 C ATOM 1740 NE2 HIS A 111 39.020 37.750 -39.139 1.00 71.33 N ATOM 0 H HIS A 111 38.812 31.838 -36.989 1.00 12.13 H new ATOM 0 HA HIS A 111 38.803 33.456 -39.482 1.00 5.12 H new ATOM 0 HB2 HIS A 111 37.278 34.333 -37.716 1.00 41.54 H new ATOM 0 HB3 HIS A 111 38.611 34.360 -36.578 1.00 41.54 H new ATOM 0 HD2 HIS A 111 38.028 36.069 -40.137 1.00 2.01 H new ATOM 0 HE1 HIS A 111 39.998 38.780 -37.543 1.00 75.02 H new ATOM 0 HE2 HIS A 111 39.012 38.466 -39.865 1.00 71.33 H new ATOM 1749 N HIS A 112 41.196 32.509 -37.592 1.00 75.22 N ATOM 1750 CA HIS A 112 42.642 32.524 -37.346 1.00 63.35 C ATOM 1751 C HIS A 112 43.444 32.070 -38.575 1.00 60.44 C ATOM 1752 O HIS A 112 43.197 31.003 -39.141 1.00 10.44 O ATOM 1753 CB HIS A 112 42.987 31.635 -36.145 1.00 43.12 C ATOM 1754 CG HIS A 112 42.462 32.153 -34.839 1.00 42.00 C ATOM 1755 ND1 HIS A 112 41.458 31.534 -34.128 1.00 41.30 N ATOM 1756 CD2 HIS A 112 42.819 33.236 -34.106 1.00 61.31 C ATOM 1757 CE1 HIS A 112 41.219 32.209 -33.022 1.00 31.31 C ATOM 1758 NE2 HIS A 112 42.030 33.243 -32.985 1.00 43.11 N ATOM 0 H HIS A 112 40.711 31.709 -37.186 1.00 75.22 H new ATOM 0 HA HIS A 112 42.920 33.556 -37.131 1.00 63.35 H new ATOM 0 HB2 HIS A 112 42.586 30.636 -36.317 1.00 43.12 H new ATOM 0 HB3 HIS A 112 44.070 31.536 -36.077 1.00 43.12 H new ATOM 0 HD2 HIS A 112 43.582 33.958 -34.358 1.00 61.31 H new ATOM 0 HE1 HIS A 112 40.483 31.956 -32.274 1.00 31.31 H new ATOM 0 HE2 HIS A 112 42.066 33.940 -32.241 1.00 43.11 H new ATOM 1767 N HIS A 113 44.405 32.899 -38.969 1.00 1.32 N ATOM 1768 CA HIS A 113 45.311 32.595 -40.080 1.00 2.42 C ATOM 1769 C HIS A 113 46.526 33.538 -40.054 1.00 1.22 C ATOM 1770 O HIS A 113 46.372 34.760 -40.105 1.00 33.12 O ATOM 1771 CB HIS A 113 44.575 32.688 -41.430 1.00 54.14 C ATOM 1772 CG HIS A 113 43.832 33.975 -41.641 1.00 72.14 C ATOM 1773 ND1 HIS A 113 42.511 34.148 -41.292 1.00 62.10 N ATOM 1774 CD2 HIS A 113 44.231 35.156 -42.171 1.00 35.32 C ATOM 1775 CE1 HIS A 113 42.131 35.371 -41.596 1.00 72.20 C ATOM 1776 NE2 HIS A 113 43.153 36.004 -42.130 1.00 10.10 N ATOM 0 H HIS A 113 44.581 33.802 -38.529 1.00 1.32 H new ATOM 0 HA HIS A 113 45.667 31.571 -39.962 1.00 2.42 H new ATOM 0 HB2 HIS A 113 45.300 32.564 -42.235 1.00 54.14 H new ATOM 0 HB3 HIS A 113 43.871 31.859 -41.505 1.00 54.14 H new ATOM 0 HD1 HIS A 113 41.918 33.437 -40.864 1.00 62.10 H new ATOM 0 HD2 HIS A 113 45.214 35.387 -42.554 1.00 35.32 H new ATOM 0 HE1 HIS A 113 41.147 35.785 -41.434 1.00 72.20 H new ATOM 1785 N HIS A 114 47.728 32.961 -39.961 1.00 51.40 N ATOM 1786 CA HIS A 114 48.977 33.743 -39.850 1.00 4.13 C ATOM 1787 C HIS A 114 49.086 34.847 -40.929 1.00 1.24 C ATOM 1788 O HIS A 114 49.103 34.519 -42.134 1.00 38.18 O ATOM 1789 CB HIS A 114 50.209 32.810 -39.879 1.00 4.25 C ATOM 1790 CG HIS A 114 50.186 31.763 -40.953 1.00 61.24 C ATOM 1791 ND1 HIS A 114 49.904 30.437 -40.702 1.00 74.03 N ATOM 1792 CD2 HIS A 114 50.429 31.840 -42.283 1.00 4.41 C ATOM 1793 CE1 HIS A 114 49.973 29.749 -41.821 1.00 41.33 C ATOM 1794 NE2 HIS A 114 50.288 30.578 -42.793 1.00 35.45 N ATOM 1795 OXT HIS A 114 49.159 36.042 -40.559 1.00 38.18 O ATOM 0 H HIS A 114 47.869 31.951 -39.960 1.00 51.40 H new ATOM 0 HA HIS A 114 48.950 34.253 -38.887 1.00 4.13 H new ATOM 0 HB2 HIS A 114 51.104 33.419 -40.005 1.00 4.25 H new ATOM 0 HB3 HIS A 114 50.294 32.315 -38.912 1.00 4.25 H new ATOM 0 HD2 HIS A 114 50.686 32.731 -42.837 1.00 4.41 H new ATOM 0 HE1 HIS A 114 49.801 28.688 -41.924 1.00 41.33 H new ATOM 0 HE2 HIS A 114 50.408 30.320 -43.773 1.00 35.45 H new TER 1804 HIS A 114