USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1241 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 147 SER OG : rot -115:sc= 0.0573 USER MOD Set 1.2: A 149 ASN : amide:sc= 0.121 K(o=0.18,f=-3.8!) USER MOD Set 2.1: A 102 ASN : amide:sc= 1.94 K(o=2.7,f=-2.6!) USER MOD Set 2.2: A 126 HIS : no HD1:sc= 0.798 K(o=2.7,f=-2.6) USER MOD Set 3.1: A 92 HIS : no HE2:sc= 0.432 K(o=1.5,f=-6.4!) USER MOD Set 3.2: A 115 CYS SG : rot 24:sc= 1.55 USER MOD Set 3.3: A 119 THR OG1 : rot -140:sc= -0.504 USER MOD Set 4.1: A 82 LYS NZ :NH3+ -111:sc= 1.18 (180deg=-0.546) USER MOD Set 4.2: A 107 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 62 CYS SG : rot -122:sc= -4.11! USER MOD Set 5.2: A 142 MET CE :methyl 140:sc= -2.05 (180deg=-2.28!) USER MOD Set 6.1: A 52 CYS SG : rot 57:sc= 0.18 USER MOD Set 6.2: A 54 HIS : no HD1:sc= 0.282 K(o=-2.2,f=-10!) USER MOD Set 6.3: A 61 MET CE :methyl -104:sc= -0.216 (180deg=-3.08!) USER MOD Set 6.4: A 63 GLN : amide:sc= 0.0453 K(o=-2.2,f=-11!) USER MOD Set 6.5: A 70 HIS : no HD1:sc= -0.202 X(o=-2.2,f=-2.2) USER MOD Set 6.6: A 111 GLN : amide:sc= -2.32! C(o=-2.2!,f=-4.9!) USER MOD Set 7.1: A 49 LYS NZ :NH3+ -151:sc= 1.73 (180deg=0.724) USER MOD Set 7.2: A 161 CYS SG : rot 180:sc= 0.689 USER MOD Set 8.1: A 35 ASN : amide:sc= -0.339 K(o=-0.34,f=-7!) USER MOD Set 8.2: A 100 MET CE :methyl 166:sc= -0.005 (180deg=-0.00759) USER MOD Set 9.1: A 31 LYS NZ :NH3+ -124:sc= 0.876 (180deg=-0.0398) USER MOD Set 9.2: A 79 TYR OH : rot 130:sc= 0.427 USER MOD Set10.1: A 5 THR OG1 : rot 160:sc= 0.856 USER MOD Set10.2: A 133 LYS NZ :NH3+ 161:sc= 1.24 (180deg=0.186) USER MOD Single : A 3 ASN : amide:sc= -2.24! K(o=-2.2!,f=-1) USER MOD Single : A 21 SER OG : rot 180:sc= -0.117 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 128:sc= 0.94 USER MOD Single : A 41 THR OG1 : rot -75:sc= -0.493! USER MOD Single : A 44 LYS NZ :NH3+ -135:sc= 0.544 (180deg=0.259) USER MOD Single : A 48 TYR OH : rot -153:sc= -0.851 USER MOD Single : A 51 SER OG : rot -41:sc= 0.129 USER MOD Single : A 68 THR OG1 : rot 87:sc= 0.0389 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -142:sc= 0.919 (180deg=-0.0521) USER MOD Single : A 77 SER OG : rot 123:sc=-0.00215 USER MOD Single : A 87 ASN : amide:sc= -1.07 K(o=-1.1,f=-5.8!) USER MOD Single : A 91 LYS NZ :NH3+ -130:sc= 0.00844 (180deg=-0.106) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 73:sc= 0.438 USER MOD Single : A 106 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.5) USER MOD Single : A 108 ASN : amide:sc= -0.0568 K(o=-0.057,f=-1.4) USER MOD Single : A 110 SER OG : rot 31:sc= 0.296 USER MOD Single : A 116 THR OG1 : rot 123:sc= 0.707 USER MOD Single : A 118 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00369) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -147:sc= -1.08 (180deg=-2.3) USER MOD Single : A 137 ASN : amide:sc= -0.174 K(o=-0.17,f=-3.9!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ -114:sc= 0.267 (180deg=-0.332) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 THR OG1 : rot 150:sc= -0.342 USER MOD Single : A 163 GLN : amide:sc= -4.38! K(o=-4.4!,f=-1.3) USER MOD Single : B 221 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N ASN A 3 -7.314 -1.766 16.526 1.00 62.53 N ATOM 37 CA ASN A 3 -6.655 -1.733 15.205 1.00 11.30 C ATOM 38 C ASN A 3 -5.119 -1.858 15.351 1.00 74.23 C ATOM 39 O ASN A 3 -4.493 -0.924 15.865 1.00 70.51 O ATOM 40 CB ASN A 3 -7.046 -0.423 14.475 1.00 34.51 C ATOM 41 CG ASN A 3 -8.555 -0.266 14.246 1.00 11.13 C ATOM 42 OD1 ASN A 3 -9.079 0.841 14.255 1.00 71.42 O ATOM 43 ND2 ASN A 3 -9.269 -1.360 14.028 1.00 64.05 N ATOM 0 HA ASN A 3 -6.991 -2.583 14.612 1.00 11.30 H new ATOM 0 HB2 ASN A 3 -6.686 0.426 15.056 1.00 34.51 H new ATOM 0 HB3 ASN A 3 -6.537 -0.389 13.512 1.00 34.51 H new ATOM 0 HD21 ASN A 3 -10.273 -1.289 13.864 1.00 64.05 H new ATOM 0 HD22 ASN A 3 -8.815 -2.273 14.024 1.00 64.05 H new ATOM 50 N PRO A 4 -4.497 -3.028 14.946 1.00 34.11 N ATOM 51 CA PRO A 4 -3.023 -3.247 15.024 1.00 52.12 C ATOM 52 C PRO A 4 -2.182 -2.186 14.276 1.00 3.20 C ATOM 53 O PRO A 4 -2.583 -1.673 13.227 1.00 33.31 O ATOM 54 CB PRO A 4 -2.825 -4.652 14.381 1.00 64.41 C ATOM 55 CG PRO A 4 -4.096 -4.924 13.630 1.00 41.32 C ATOM 56 CD PRO A 4 -5.181 -4.250 14.430 1.00 32.02 C ATOM 0 HA PRO A 4 -2.678 -3.172 16.055 1.00 52.12 H new ATOM 0 HB2 PRO A 4 -1.963 -4.662 13.713 1.00 64.41 H new ATOM 0 HB3 PRO A 4 -2.647 -5.412 15.142 1.00 64.41 H new ATOM 0 HG2 PRO A 4 -4.048 -4.524 12.617 1.00 41.32 H new ATOM 0 HG3 PRO A 4 -4.280 -5.995 13.542 1.00 41.32 H new ATOM 0 HD2 PRO A 4 -6.044 -4.001 13.813 1.00 32.02 H new ATOM 0 HD3 PRO A 4 -5.541 -4.885 15.240 1.00 32.02 H new ATOM 64 N THR A 5 -1.000 -1.915 14.831 1.00 44.01 N ATOM 65 CA THR A 5 -0.019 -0.980 14.291 1.00 35.24 C ATOM 66 C THR A 5 1.046 -1.780 13.515 1.00 73.42 C ATOM 67 O THR A 5 1.750 -2.591 14.110 1.00 62.22 O ATOM 68 CB THR A 5 0.647 -0.184 15.470 1.00 42.24 C ATOM 69 OG1 THR A 5 -0.368 0.523 16.211 1.00 64.45 O ATOM 70 CG2 THR A 5 1.729 0.803 14.992 1.00 21.41 C ATOM 0 H THR A 5 -0.691 -2.356 15.697 1.00 44.01 H new ATOM 0 HA THR A 5 -0.500 -0.269 13.619 1.00 35.24 H new ATOM 0 HB THR A 5 1.144 -0.913 16.109 1.00 42.24 H new ATOM 0 HG1 THR A 5 -0.026 0.747 17.102 1.00 64.45 H new ATOM 0 HG21 THR A 5 2.152 1.323 15.851 1.00 21.41 H new ATOM 0 HG22 THR A 5 2.517 0.256 14.474 1.00 21.41 H new ATOM 0 HG23 THR A 5 1.284 1.529 14.312 1.00 21.41 H new ATOM 78 N VAL A 6 1.168 -1.564 12.191 1.00 60.41 N ATOM 79 CA VAL A 6 2.174 -2.261 11.370 1.00 34.04 C ATOM 80 C VAL A 6 3.352 -1.332 11.169 1.00 43.54 C ATOM 81 O VAL A 6 3.205 -0.280 10.569 1.00 25.51 O ATOM 82 CB VAL A 6 1.617 -2.679 9.960 1.00 34.33 C ATOM 83 CG1 VAL A 6 2.648 -3.546 9.186 1.00 23.40 C ATOM 84 CG2 VAL A 6 0.276 -3.408 10.105 1.00 55.14 C ATOM 0 H VAL A 6 0.582 -0.913 11.668 1.00 60.41 H new ATOM 0 HA VAL A 6 2.461 -3.172 11.894 1.00 34.04 H new ATOM 0 HB VAL A 6 1.448 -1.773 9.378 1.00 34.33 H new ATOM 0 HG11 VAL A 6 2.236 -3.821 8.215 1.00 23.40 H new ATOM 0 HG12 VAL A 6 3.567 -2.978 9.043 1.00 23.40 H new ATOM 0 HG13 VAL A 6 2.865 -4.449 9.756 1.00 23.40 H new ATOM 0 HG21 VAL A 6 -0.094 -3.689 9.119 1.00 55.14 H new ATOM 0 HG22 VAL A 6 0.413 -4.304 10.711 1.00 55.14 H new ATOM 0 HG23 VAL A 6 -0.446 -2.750 10.589 1.00 55.14 H new ATOM 94 N PHE A 7 4.527 -1.745 11.617 1.00 43.32 N ATOM 95 CA PHE A 7 5.720 -0.920 11.549 1.00 33.42 C ATOM 96 C PHE A 7 6.577 -1.363 10.367 1.00 13.13 C ATOM 97 O PHE A 7 6.824 -2.560 10.180 1.00 14.21 O ATOM 98 CB PHE A 7 6.506 -1.006 12.875 1.00 73.44 C ATOM 99 CG PHE A 7 7.750 -0.125 12.910 1.00 32.20 C ATOM 100 CD1 PHE A 7 7.661 1.211 13.276 1.00 32.22 C ATOM 101 CD2 PHE A 7 8.996 -0.627 12.550 1.00 75.40 C ATOM 102 CE1 PHE A 7 8.778 2.019 13.281 1.00 24.24 C ATOM 103 CE2 PHE A 7 10.112 0.173 12.559 1.00 31.42 C ATOM 104 CZ PHE A 7 10.005 1.496 12.923 1.00 32.25 C ATOM 0 H PHE A 7 4.679 -2.662 12.038 1.00 43.32 H new ATOM 0 HA PHE A 7 5.436 0.122 11.400 1.00 33.42 H new ATOM 0 HB2 PHE A 7 5.848 -0.722 13.696 1.00 73.44 H new ATOM 0 HB3 PHE A 7 6.800 -2.042 13.046 1.00 73.44 H new ATOM 0 HD1 PHE A 7 6.704 1.623 13.561 1.00 32.22 H new ATOM 0 HD2 PHE A 7 9.087 -1.663 12.259 1.00 75.40 H new ATOM 0 HE1 PHE A 7 8.694 3.058 13.564 1.00 24.24 H new ATOM 0 HE2 PHE A 7 11.072 -0.235 12.281 1.00 31.42 H new ATOM 0 HZ PHE A 7 10.882 2.126 12.929 1.00 32.25 H new ATOM 114 N PHE A 8 6.990 -0.376 9.572 1.00 41.11 N ATOM 115 CA PHE A 8 8.024 -0.512 8.552 1.00 41.10 C ATOM 116 C PHE A 8 8.989 0.664 8.665 1.00 12.04 C ATOM 117 O PHE A 8 8.706 1.683 9.315 1.00 72.43 O ATOM 118 CB PHE A 8 7.443 -0.549 7.114 1.00 12.05 C ATOM 119 CG PHE A 8 6.586 -1.765 6.795 1.00 10.21 C ATOM 120 CD1 PHE A 8 7.095 -3.056 6.895 1.00 14.02 C ATOM 121 CD2 PHE A 8 5.285 -1.611 6.365 1.00 74.02 C ATOM 122 CE1 PHE A 8 6.317 -4.146 6.574 1.00 62.34 C ATOM 123 CE2 PHE A 8 4.506 -2.692 6.051 1.00 14.41 C ATOM 124 CZ PHE A 8 5.018 -3.964 6.151 1.00 51.02 C ATOM 0 H PHE A 8 6.602 0.566 9.623 1.00 41.11 H new ATOM 0 HA PHE A 8 8.533 -1.460 8.725 1.00 41.10 H new ATOM 0 HB2 PHE A 8 6.845 0.349 6.957 1.00 12.05 H new ATOM 0 HB3 PHE A 8 8.269 -0.510 6.404 1.00 12.05 H new ATOM 0 HD1 PHE A 8 8.112 -3.205 7.228 1.00 14.02 H new ATOM 0 HD2 PHE A 8 4.872 -0.617 6.274 1.00 74.02 H new ATOM 0 HE1 PHE A 8 6.725 -5.143 6.654 1.00 62.34 H new ATOM 0 HE2 PHE A 8 3.487 -2.545 5.724 1.00 14.41 H new ATOM 0 HZ PHE A 8 4.405 -4.817 5.899 1.00 51.02 H new ATOM 134 N ASP A 9 10.126 0.505 8.018 1.00 52.14 N ATOM 135 CA ASP A 9 11.103 1.568 7.821 1.00 61.41 C ATOM 136 C ASP A 9 11.119 1.861 6.340 1.00 70.34 C ATOM 137 O ASP A 9 11.492 0.994 5.549 1.00 24.13 O ATOM 138 CB ASP A 9 12.498 1.129 8.308 1.00 41.01 C ATOM 139 CG ASP A 9 12.508 0.845 9.808 1.00 24.23 C ATOM 140 OD1 ASP A 9 12.505 1.809 10.598 1.00 63.04 O ATOM 141 OD2 ASP A 9 12.495 -0.333 10.201 1.00 53.11 O ATOM 0 H ASP A 9 10.407 -0.384 7.604 1.00 52.14 H new ATOM 0 HA ASP A 9 10.838 2.456 8.395 1.00 61.41 H new ATOM 0 HB2 ASP A 9 12.808 0.235 7.766 1.00 41.01 H new ATOM 0 HB3 ASP A 9 13.225 1.908 8.080 1.00 41.01 H new ATOM 146 N ILE A 10 10.655 3.050 5.957 1.00 21.53 N ATOM 147 CA ILE A 10 10.618 3.452 4.551 1.00 64.12 C ATOM 148 C ILE A 10 12.007 3.952 4.147 1.00 50.01 C ATOM 149 O ILE A 10 12.555 4.854 4.782 1.00 71.42 O ATOM 150 CB ILE A 10 9.525 4.538 4.273 1.00 2.04 C ATOM 151 CG1 ILE A 10 8.101 3.988 4.623 1.00 32.35 C ATOM 152 CG2 ILE A 10 9.599 5.045 2.809 1.00 13.23 C ATOM 153 CD1 ILE A 10 7.703 2.710 3.916 1.00 12.23 C ATOM 0 H ILE A 10 10.298 3.754 6.603 1.00 21.53 H new ATOM 0 HA ILE A 10 10.345 2.586 3.948 1.00 64.12 H new ATOM 0 HB ILE A 10 9.720 5.393 4.920 1.00 2.04 H new ATOM 0 HG12 ILE A 10 8.051 3.818 5.699 1.00 32.35 H new ATOM 0 HG13 ILE A 10 7.366 4.757 4.387 1.00 32.35 H new ATOM 0 HG21 ILE A 10 8.828 5.798 2.645 1.00 13.23 H new ATOM 0 HG22 ILE A 10 10.580 5.484 2.625 1.00 13.23 H new ATOM 0 HG23 ILE A 10 9.441 4.210 2.126 1.00 13.23 H new ATOM 0 HD11 ILE A 10 6.701 2.417 4.230 1.00 12.23 H new ATOM 0 HD12 ILE A 10 7.713 2.872 2.838 1.00 12.23 H new ATOM 0 HD13 ILE A 10 8.408 1.919 4.170 1.00 12.23 H new ATOM 165 N ALA A 11 12.547 3.350 3.087 1.00 61.14 N ATOM 166 CA ALA A 11 13.924 3.542 2.642 1.00 73.43 C ATOM 167 C ALA A 11 13.948 4.057 1.201 1.00 64.14 C ATOM 168 O ALA A 11 13.380 3.434 0.329 1.00 35.20 O ATOM 169 CB ALA A 11 14.673 2.202 2.756 1.00 20.44 C ATOM 0 H ALA A 11 12.024 2.699 2.501 1.00 61.14 H new ATOM 0 HA ALA A 11 14.416 4.285 3.270 1.00 73.43 H new ATOM 0 HB1 ALA A 11 15.704 2.332 2.426 1.00 20.44 H new ATOM 0 HB2 ALA A 11 14.663 1.867 3.793 1.00 20.44 H new ATOM 0 HB3 ALA A 11 14.183 1.457 2.129 1.00 20.44 H new ATOM 175 N VAL A 12 14.588 5.203 0.964 1.00 15.33 N ATOM 176 CA VAL A 12 14.807 5.740 -0.389 1.00 4.10 C ATOM 177 C VAL A 12 16.241 5.381 -0.812 1.00 21.43 C ATOM 178 O VAL A 12 17.172 5.573 -0.025 1.00 65.11 O ATOM 179 CB VAL A 12 14.576 7.290 -0.426 1.00 25.24 C ATOM 180 CG1 VAL A 12 14.815 7.866 -1.839 1.00 25.11 C ATOM 181 CG2 VAL A 12 13.156 7.643 0.067 1.00 14.14 C ATOM 0 H VAL A 12 14.972 5.790 1.704 1.00 15.33 H new ATOM 0 HA VAL A 12 14.092 5.302 -1.086 1.00 4.10 H new ATOM 0 HB VAL A 12 15.303 7.746 0.247 1.00 25.24 H new ATOM 0 HG11 VAL A 12 14.646 8.943 -1.826 1.00 25.11 H new ATOM 0 HG12 VAL A 12 15.841 7.664 -2.146 1.00 25.11 H new ATOM 0 HG13 VAL A 12 14.127 7.399 -2.544 1.00 25.11 H new ATOM 0 HG21 VAL A 12 13.017 8.724 0.033 1.00 14.14 H new ATOM 0 HG22 VAL A 12 12.418 7.162 -0.575 1.00 14.14 H new ATOM 0 HG23 VAL A 12 13.029 7.293 1.091 1.00 14.14 H new ATOM 191 N ASP A 13 16.388 4.826 -2.041 1.00 4.22 N ATOM 192 CA ASP A 13 17.672 4.286 -2.574 1.00 71.11 C ATOM 193 C ASP A 13 18.094 3.021 -1.795 1.00 25.22 C ATOM 194 O ASP A 13 19.260 2.607 -1.854 1.00 24.11 O ATOM 195 CB ASP A 13 18.827 5.340 -2.531 1.00 4.42 C ATOM 196 CG ASP A 13 18.509 6.633 -3.293 1.00 22.33 C ATOM 197 OD1 ASP A 13 18.577 6.632 -4.533 1.00 64.44 O ATOM 198 OD2 ASP A 13 18.184 7.661 -2.657 1.00 1.35 O ATOM 0 H ASP A 13 15.614 4.738 -2.699 1.00 4.22 H new ATOM 0 HA ASP A 13 17.495 4.031 -3.619 1.00 71.11 H new ATOM 0 HB2 ASP A 13 19.045 5.585 -1.492 1.00 4.42 H new ATOM 0 HB3 ASP A 13 19.730 4.895 -2.949 1.00 4.42 H new ATOM 203 N GLY A 14 17.135 2.408 -1.068 1.00 61.43 N ATOM 204 CA GLY A 14 17.438 1.314 -0.137 1.00 22.34 C ATOM 205 C GLY A 14 17.922 1.805 1.232 1.00 72.23 C ATOM 206 O GLY A 14 18.032 1.008 2.168 1.00 35.02 O ATOM 0 H GLY A 14 16.147 2.656 -1.112 1.00 61.43 H new ATOM 0 HA2 GLY A 14 16.546 0.702 -0.002 1.00 22.34 H new ATOM 0 HA3 GLY A 14 18.201 0.672 -0.577 1.00 22.34 H new ATOM 210 N GLU A 15 18.190 3.119 1.342 1.00 71.10 N ATOM 211 CA GLU A 15 18.701 3.763 2.564 1.00 12.54 C ATOM 212 C GLU A 15 17.536 4.400 3.360 1.00 13.51 C ATOM 213 O GLU A 15 16.775 5.186 2.782 1.00 1.14 O ATOM 214 CB GLU A 15 19.747 4.843 2.175 1.00 11.10 C ATOM 215 CG GLU A 15 21.030 4.292 1.518 1.00 32.11 C ATOM 216 CD GLU A 15 21.818 3.342 2.439 1.00 15.41 C ATOM 217 OE1 GLU A 15 22.490 3.825 3.377 1.00 73.43 O ATOM 218 OE2 GLU A 15 21.746 2.107 2.251 1.00 72.31 O ATOM 0 H GLU A 15 18.055 3.773 0.571 1.00 71.10 H new ATOM 0 HA GLU A 15 19.177 3.014 3.197 1.00 12.54 H new ATOM 0 HB2 GLU A 15 19.280 5.551 1.491 1.00 11.10 H new ATOM 0 HB3 GLU A 15 20.024 5.400 3.070 1.00 11.10 H new ATOM 0 HG2 GLU A 15 20.764 3.764 0.602 1.00 32.11 H new ATOM 0 HG3 GLU A 15 21.671 5.125 1.231 1.00 32.11 H new ATOM 225 N PRO A 16 17.392 4.084 4.697 1.00 53.01 N ATOM 226 CA PRO A 16 16.227 4.512 5.531 1.00 3.11 C ATOM 227 C PRO A 16 15.994 6.047 5.527 1.00 42.20 C ATOM 228 O PRO A 16 16.827 6.814 6.023 1.00 70.23 O ATOM 229 CB PRO A 16 16.582 3.981 6.955 1.00 4.32 C ATOM 230 CG PRO A 16 18.061 3.716 6.919 1.00 65.14 C ATOM 231 CD PRO A 16 18.358 3.286 5.502 1.00 15.23 C ATOM 0 HA PRO A 16 15.288 4.115 5.145 1.00 3.11 H new ATOM 0 HB2 PRO A 16 16.332 4.714 7.722 1.00 4.32 H new ATOM 0 HB3 PRO A 16 16.025 3.073 7.187 1.00 4.32 H new ATOM 0 HG2 PRO A 16 18.627 4.609 7.185 1.00 65.14 H new ATOM 0 HG3 PRO A 16 18.338 2.939 7.631 1.00 65.14 H new ATOM 0 HD2 PRO A 16 19.390 3.501 5.223 1.00 15.23 H new ATOM 0 HD3 PRO A 16 18.208 2.215 5.366 1.00 15.23 H new ATOM 239 N LEU A 17 14.867 6.473 4.920 1.00 15.03 N ATOM 240 CA LEU A 17 14.426 7.882 4.918 1.00 21.13 C ATOM 241 C LEU A 17 13.753 8.227 6.258 1.00 64.15 C ATOM 242 O LEU A 17 13.970 9.314 6.809 1.00 10.24 O ATOM 243 CB LEU A 17 13.431 8.160 3.754 1.00 34.12 C ATOM 244 CG LEU A 17 12.974 9.657 3.589 1.00 43.15 C ATOM 245 CD1 LEU A 17 14.144 10.552 3.123 1.00 2.52 C ATOM 246 CD2 LEU A 17 11.753 9.786 2.652 1.00 52.32 C ATOM 0 H LEU A 17 14.237 5.848 4.417 1.00 15.03 H new ATOM 0 HA LEU A 17 15.308 8.507 4.777 1.00 21.13 H new ATOM 0 HB2 LEU A 17 13.892 7.835 2.821 1.00 34.12 H new ATOM 0 HB3 LEU A 17 12.545 7.543 3.903 1.00 34.12 H new ATOM 0 HG LEU A 17 12.660 10.010 4.571 1.00 43.15 H new ATOM 0 HD11 LEU A 17 13.797 11.580 3.018 1.00 2.52 H new ATOM 0 HD12 LEU A 17 14.947 10.514 3.859 1.00 2.52 H new ATOM 0 HD13 LEU A 17 14.515 10.195 2.162 1.00 2.52 H new ATOM 0 HD21 LEU A 17 11.470 10.835 2.565 1.00 52.32 H new ATOM 0 HD22 LEU A 17 12.008 9.396 1.666 1.00 52.32 H new ATOM 0 HD23 LEU A 17 10.918 9.218 3.062 1.00 52.32 H new ATOM 258 N GLY A 18 12.942 7.284 6.777 1.00 14.14 N ATOM 259 CA GLY A 18 12.234 7.479 8.043 1.00 52.11 C ATOM 260 C GLY A 18 11.450 6.253 8.489 1.00 23.11 C ATOM 261 O GLY A 18 11.433 5.222 7.800 1.00 10.21 O ATOM 0 H GLY A 18 12.766 6.382 6.334 1.00 14.14 H new ATOM 0 HA2 GLY A 18 12.954 7.743 8.817 1.00 52.11 H new ATOM 0 HA3 GLY A 18 11.551 8.322 7.943 1.00 52.11 H new ATOM 265 N ARG A 19 10.773 6.389 9.639 1.00 5.41 N ATOM 266 CA ARG A 19 10.002 5.311 10.286 1.00 23.04 C ATOM 267 C ARG A 19 8.499 5.599 10.125 1.00 31.24 C ATOM 268 O ARG A 19 8.026 6.686 10.487 1.00 25.54 O ATOM 269 CB ARG A 19 10.384 5.229 11.791 1.00 23.24 C ATOM 270 CG ARG A 19 11.845 4.798 12.056 1.00 43.52 C ATOM 271 CD ARG A 19 12.284 4.985 13.520 1.00 71.21 C ATOM 272 NE ARG A 19 11.328 4.391 14.484 1.00 52.43 N ATOM 273 CZ ARG A 19 11.591 3.379 15.335 1.00 23.11 C ATOM 274 NH1 ARG A 19 12.792 2.813 15.377 1.00 51.30 N ATOM 275 NH2 ARG A 19 10.629 2.926 16.125 1.00 74.13 N ATOM 0 H ARG A 19 10.744 7.267 10.157 1.00 5.41 H new ATOM 0 HA ARG A 19 10.232 4.355 9.817 1.00 23.04 H new ATOM 0 HB2 ARG A 19 10.217 6.204 12.250 1.00 23.24 H new ATOM 0 HB3 ARG A 19 9.715 4.525 12.285 1.00 23.24 H new ATOM 0 HG2 ARG A 19 11.962 3.750 11.781 1.00 43.52 H new ATOM 0 HG3 ARG A 19 12.508 5.373 11.410 1.00 43.52 H new ATOM 0 HD2 ARG A 19 13.265 4.532 13.662 1.00 71.21 H new ATOM 0 HD3 ARG A 19 12.391 6.049 13.730 1.00 71.21 H new ATOM 0 HE ARG A 19 10.387 4.783 14.506 1.00 52.43 H new ATOM 0 HH11 ARG A 19 13.533 3.143 14.759 1.00 51.30 H new ATOM 0 HH12 ARG A 19 12.973 2.048 16.027 1.00 51.30 H new ATOM 0 HH21 ARG A 19 9.699 3.343 16.086 1.00 74.13 H new ATOM 0 HH22 ARG A 19 10.819 2.161 16.772 1.00 74.13 H new ATOM 289 N VAL A 20 7.764 4.624 9.571 1.00 1.12 N ATOM 290 CA VAL A 20 6.319 4.732 9.295 1.00 71.05 C ATOM 291 C VAL A 20 5.580 3.556 9.944 1.00 34.13 C ATOM 292 O VAL A 20 6.088 2.435 9.986 1.00 33.01 O ATOM 293 CB VAL A 20 6.036 4.762 7.739 1.00 33.31 C ATOM 294 CG1 VAL A 20 4.521 4.720 7.403 1.00 55.31 C ATOM 295 CG2 VAL A 20 6.689 6.003 7.094 1.00 11.22 C ATOM 0 H VAL A 20 8.160 3.725 9.297 1.00 1.12 H new ATOM 0 HA VAL A 20 5.956 5.668 9.720 1.00 71.05 H new ATOM 0 HB VAL A 20 6.482 3.859 7.323 1.00 33.31 H new ATOM 0 HG11 VAL A 20 4.387 4.743 6.321 1.00 55.31 H new ATOM 0 HG12 VAL A 20 4.085 3.805 7.803 1.00 55.31 H new ATOM 0 HG13 VAL A 20 4.026 5.583 7.848 1.00 55.31 H new ATOM 0 HG21 VAL A 20 6.484 6.007 6.023 1.00 11.22 H new ATOM 0 HG22 VAL A 20 6.279 6.906 7.546 1.00 11.22 H new ATOM 0 HG23 VAL A 20 7.766 5.973 7.257 1.00 11.22 H new ATOM 305 N SER A 21 4.383 3.829 10.468 1.00 43.42 N ATOM 306 CA SER A 21 3.483 2.810 11.000 1.00 2.34 C ATOM 307 C SER A 21 2.075 3.008 10.411 1.00 32.14 C ATOM 308 O SER A 21 1.572 4.136 10.320 1.00 40.32 O ATOM 309 CB SER A 21 3.448 2.865 12.536 1.00 55.02 C ATOM 310 OG SER A 21 4.743 2.682 13.085 1.00 12.34 O ATOM 0 H SER A 21 4.009 4.776 10.534 1.00 43.42 H new ATOM 0 HA SER A 21 3.850 1.825 10.712 1.00 2.34 H new ATOM 0 HB2 SER A 21 3.045 3.825 12.859 1.00 55.02 H new ATOM 0 HB3 SER A 21 2.777 2.094 12.915 1.00 55.02 H new ATOM 0 HG SER A 21 4.693 2.723 14.063 1.00 12.34 H new ATOM 316 N PHE A 22 1.473 1.901 9.983 1.00 43.21 N ATOM 317 CA PHE A 22 0.098 1.832 9.477 1.00 40.12 C ATOM 318 C PHE A 22 -0.814 1.296 10.586 1.00 12.34 C ATOM 319 O PHE A 22 -0.330 0.864 11.635 1.00 54.55 O ATOM 320 CB PHE A 22 0.045 0.917 8.229 1.00 61.43 C ATOM 321 CG PHE A 22 1.025 1.345 7.143 1.00 32.22 C ATOM 322 CD1 PHE A 22 0.703 2.372 6.262 1.00 72.22 C ATOM 323 CD2 PHE A 22 2.280 0.742 7.021 1.00 24.11 C ATOM 324 CE1 PHE A 22 1.597 2.776 5.294 1.00 61.30 C ATOM 325 CE2 PHE A 22 3.168 1.152 6.046 1.00 23.23 C ATOM 326 CZ PHE A 22 2.829 2.168 5.186 1.00 63.14 C ATOM 0 H PHE A 22 1.942 0.995 9.977 1.00 43.21 H new ATOM 0 HA PHE A 22 -0.244 2.825 9.185 1.00 40.12 H new ATOM 0 HB2 PHE A 22 0.264 -0.109 8.526 1.00 61.43 H new ATOM 0 HB3 PHE A 22 -0.966 0.922 7.822 1.00 61.43 H new ATOM 0 HD1 PHE A 22 -0.258 2.858 6.337 1.00 72.22 H new ATOM 0 HD2 PHE A 22 2.558 -0.053 7.697 1.00 24.11 H new ATOM 0 HE1 PHE A 22 1.331 3.574 4.616 1.00 61.30 H new ATOM 0 HE2 PHE A 22 4.132 0.672 5.959 1.00 23.23 H new ATOM 0 HZ PHE A 22 3.526 2.490 4.427 1.00 63.14 H new ATOM 336 N GLU A 23 -2.125 1.358 10.361 1.00 53.14 N ATOM 337 CA GLU A 23 -3.124 0.913 11.337 1.00 3.34 C ATOM 338 C GLU A 23 -4.229 0.117 10.621 1.00 42.33 C ATOM 339 O GLU A 23 -5.031 0.697 9.889 1.00 43.33 O ATOM 340 CB GLU A 23 -3.684 2.140 12.086 1.00 31.41 C ATOM 341 CG GLU A 23 -4.512 1.795 13.327 1.00 34.41 C ATOM 342 CD GLU A 23 -4.925 3.034 14.119 1.00 43.21 C ATOM 343 OE1 GLU A 23 -5.919 3.688 13.738 1.00 71.14 O ATOM 344 OE2 GLU A 23 -4.238 3.385 15.105 1.00 1.31 O ATOM 0 H GLU A 23 -2.528 1.719 9.496 1.00 53.14 H new ATOM 0 HA GLU A 23 -2.669 0.250 12.073 1.00 3.34 H new ATOM 0 HB2 GLU A 23 -2.853 2.780 12.384 1.00 31.41 H new ATOM 0 HB3 GLU A 23 -4.302 2.719 11.400 1.00 31.41 H new ATOM 0 HG2 GLU A 23 -5.405 1.248 13.023 1.00 34.41 H new ATOM 0 HG3 GLU A 23 -3.935 1.132 13.971 1.00 34.41 H new ATOM 351 N LEU A 24 -4.234 -1.220 10.816 1.00 42.41 N ATOM 352 CA LEU A 24 -5.167 -2.136 10.132 1.00 11.41 C ATOM 353 C LEU A 24 -6.474 -2.256 10.918 1.00 22.11 C ATOM 354 O LEU A 24 -6.461 -2.574 12.101 1.00 62.51 O ATOM 355 CB LEU A 24 -4.539 -3.545 9.947 1.00 54.25 C ATOM 356 CG LEU A 24 -3.123 -3.597 9.302 1.00 33.01 C ATOM 357 CD1 LEU A 24 -2.700 -5.048 9.003 1.00 64.41 C ATOM 358 CD2 LEU A 24 -3.018 -2.702 8.046 1.00 40.04 C ATOM 0 H LEU A 24 -3.591 -1.692 11.452 1.00 42.41 H new ATOM 0 HA LEU A 24 -5.376 -1.718 9.147 1.00 11.41 H new ATOM 0 HB2 LEU A 24 -4.486 -4.026 10.924 1.00 54.25 H new ATOM 0 HB3 LEU A 24 -5.215 -4.142 9.334 1.00 54.25 H new ATOM 0 HG LEU A 24 -2.424 -3.191 10.033 1.00 33.01 H new ATOM 0 HD11 LEU A 24 -1.707 -5.052 8.553 1.00 64.41 H new ATOM 0 HD12 LEU A 24 -2.680 -5.620 9.931 1.00 64.41 H new ATOM 0 HD13 LEU A 24 -3.413 -5.500 8.313 1.00 64.41 H new ATOM 0 HD21 LEU A 24 -2.012 -2.772 7.632 1.00 40.04 H new ATOM 0 HD22 LEU A 24 -3.741 -3.034 7.301 1.00 40.04 H new ATOM 0 HD23 LEU A 24 -3.227 -1.667 8.318 1.00 40.04 H new ATOM 370 N PHE A 25 -7.598 -2.022 10.247 1.00 74.12 N ATOM 371 CA PHE A 25 -8.936 -2.123 10.834 1.00 75.32 C ATOM 372 C PHE A 25 -9.424 -3.581 10.739 1.00 11.51 C ATOM 373 O PHE A 25 -10.365 -3.897 10.015 1.00 4.12 O ATOM 374 CB PHE A 25 -9.893 -1.132 10.124 1.00 23.45 C ATOM 375 CG PHE A 25 -9.407 0.324 10.134 1.00 24.34 C ATOM 376 CD1 PHE A 25 -8.455 0.773 9.209 1.00 61.11 C ATOM 377 CD2 PHE A 25 -9.888 1.239 11.067 1.00 30.43 C ATOM 378 CE1 PHE A 25 -8.010 2.078 9.219 1.00 22.44 C ATOM 379 CE2 PHE A 25 -9.439 2.546 11.073 1.00 12.54 C ATOM 380 CZ PHE A 25 -8.498 2.966 10.152 1.00 71.14 C ATOM 0 H PHE A 25 -7.608 -1.752 9.263 1.00 74.12 H new ATOM 0 HA PHE A 25 -8.912 -1.850 11.889 1.00 75.32 H new ATOM 0 HB2 PHE A 25 -10.028 -1.452 9.091 1.00 23.45 H new ATOM 0 HB3 PHE A 25 -10.871 -1.181 10.604 1.00 23.45 H new ATOM 0 HD1 PHE A 25 -8.063 0.085 8.475 1.00 61.11 H new ATOM 0 HD2 PHE A 25 -10.621 0.923 11.795 1.00 30.43 H new ATOM 0 HE1 PHE A 25 -7.278 2.404 8.495 1.00 22.44 H new ATOM 0 HE2 PHE A 25 -9.826 3.243 11.802 1.00 12.54 H new ATOM 0 HZ PHE A 25 -8.146 3.987 10.164 1.00 71.14 H new ATOM 390 N ALA A 26 -8.744 -4.461 11.495 1.00 34.12 N ATOM 391 CA ALA A 26 -8.944 -5.927 11.453 1.00 75.01 C ATOM 392 C ALA A 26 -10.330 -6.360 11.977 1.00 53.34 C ATOM 393 O ALA A 26 -10.774 -7.477 11.713 1.00 43.43 O ATOM 394 CB ALA A 26 -7.819 -6.616 12.242 1.00 32.53 C ATOM 0 H ALA A 26 -8.029 -4.173 12.163 1.00 34.12 H new ATOM 0 HA ALA A 26 -8.907 -6.237 10.409 1.00 75.01 H new ATOM 0 HB1 ALA A 26 -7.963 -7.696 12.213 1.00 32.53 H new ATOM 0 HB2 ALA A 26 -6.856 -6.366 11.796 1.00 32.53 H new ATOM 0 HB3 ALA A 26 -7.839 -6.275 13.277 1.00 32.53 H new ATOM 400 N ASP A 27 -10.990 -5.468 12.726 1.00 34.14 N ATOM 401 CA ASP A 27 -12.352 -5.688 13.237 1.00 74.32 C ATOM 402 C ASP A 27 -13.399 -5.427 12.130 1.00 64.02 C ATOM 403 O ASP A 27 -14.461 -6.056 12.105 1.00 2.10 O ATOM 404 CB ASP A 27 -12.616 -4.769 14.464 1.00 71.32 C ATOM 405 CG ASP A 27 -12.637 -3.264 14.119 1.00 31.02 C ATOM 406 OD1 ASP A 27 -11.654 -2.771 13.531 1.00 23.24 O ATOM 407 OD2 ASP A 27 -13.627 -2.572 14.433 1.00 10.41 O ATOM 0 H ASP A 27 -10.594 -4.568 12.997 1.00 34.14 H new ATOM 0 HA ASP A 27 -12.442 -6.728 13.551 1.00 74.32 H new ATOM 0 HB2 ASP A 27 -13.570 -5.043 14.913 1.00 71.32 H new ATOM 0 HB3 ASP A 27 -11.847 -4.950 15.215 1.00 71.32 H new ATOM 412 N LYS A 28 -13.081 -4.482 11.224 1.00 62.34 N ATOM 413 CA LYS A 28 -13.994 -4.034 10.152 1.00 65.23 C ATOM 414 C LYS A 28 -13.811 -4.877 8.884 1.00 21.12 C ATOM 415 O LYS A 28 -14.787 -5.255 8.232 1.00 33.13 O ATOM 416 CB LYS A 28 -13.739 -2.530 9.848 1.00 14.21 C ATOM 417 CG LYS A 28 -14.013 -1.604 11.052 1.00 45.44 C ATOM 418 CD LYS A 28 -13.652 -0.123 10.790 1.00 44.23 C ATOM 419 CE LYS A 28 -13.934 0.765 12.015 1.00 61.15 C ATOM 420 NZ LYS A 28 -13.558 2.183 11.787 1.00 11.24 N ATOM 0 H LYS A 28 -12.179 -4.005 11.214 1.00 62.34 H new ATOM 0 HA LYS A 28 -15.022 -4.164 10.491 1.00 65.23 H new ATOM 0 HB2 LYS A 28 -12.704 -2.402 9.529 1.00 14.21 H new ATOM 0 HB3 LYS A 28 -14.370 -2.224 9.013 1.00 14.21 H new ATOM 0 HG2 LYS A 28 -15.068 -1.670 11.318 1.00 45.44 H new ATOM 0 HG3 LYS A 28 -13.445 -1.961 11.911 1.00 45.44 H new ATOM 0 HD2 LYS A 28 -12.598 -0.049 10.523 1.00 44.23 H new ATOM 0 HD3 LYS A 28 -14.223 0.244 9.937 1.00 44.23 H new ATOM 0 HE2 LYS A 28 -14.994 0.709 12.264 1.00 61.15 H new ATOM 0 HE3 LYS A 28 -13.384 0.380 12.873 1.00 61.15 H new ATOM 0 HZ1 LYS A 28 -13.767 2.739 12.641 1.00 11.24 H new ATOM 0 HZ2 LYS A 28 -12.542 2.243 11.575 1.00 11.24 H new ATOM 0 HZ3 LYS A 28 -14.101 2.562 10.985 1.00 11.24 H new ATOM 434 N VAL A 29 -12.545 -5.168 8.544 1.00 31.44 N ATOM 435 CA VAL A 29 -12.163 -5.838 7.280 1.00 4.15 C ATOM 436 C VAL A 29 -11.063 -6.911 7.553 1.00 43.34 C ATOM 437 O VAL A 29 -9.889 -6.758 7.156 1.00 22.25 O ATOM 438 CB VAL A 29 -11.711 -4.764 6.207 1.00 41.44 C ATOM 439 CG1 VAL A 29 -12.915 -3.907 5.740 1.00 52.24 C ATOM 440 CG2 VAL A 29 -10.593 -3.841 6.759 1.00 52.43 C ATOM 0 H VAL A 29 -11.748 -4.945 9.140 1.00 31.44 H new ATOM 0 HA VAL A 29 -13.026 -6.360 6.866 1.00 4.15 H new ATOM 0 HB VAL A 29 -11.313 -5.312 5.353 1.00 41.44 H new ATOM 0 HG11 VAL A 29 -12.578 -3.177 5.004 1.00 52.24 H new ATOM 0 HG12 VAL A 29 -13.670 -4.553 5.292 1.00 52.24 H new ATOM 0 HG13 VAL A 29 -13.345 -3.387 6.596 1.00 52.24 H new ATOM 0 HG21 VAL A 29 -10.309 -3.117 5.995 1.00 52.43 H new ATOM 0 HG22 VAL A 29 -10.958 -3.314 7.640 1.00 52.43 H new ATOM 0 HG23 VAL A 29 -9.725 -4.443 7.030 1.00 52.43 H new ATOM 450 N PRO A 30 -11.443 -8.045 8.241 1.00 72.44 N ATOM 451 CA PRO A 30 -10.472 -9.055 8.747 1.00 23.44 C ATOM 452 C PRO A 30 -9.641 -9.719 7.638 1.00 24.43 C ATOM 453 O PRO A 30 -8.469 -10.012 7.842 1.00 3.35 O ATOM 454 CB PRO A 30 -11.363 -10.098 9.483 1.00 61.45 C ATOM 455 CG PRO A 30 -12.663 -9.389 9.735 1.00 22.45 C ATOM 456 CD PRO A 30 -12.843 -8.448 8.565 1.00 71.45 C ATOM 0 HA PRO A 30 -9.725 -8.591 9.391 1.00 23.44 H new ATOM 0 HB2 PRO A 30 -11.511 -10.990 8.874 1.00 61.45 H new ATOM 0 HB3 PRO A 30 -10.903 -10.422 10.416 1.00 61.45 H new ATOM 0 HG2 PRO A 30 -13.490 -10.096 9.800 1.00 22.45 H new ATOM 0 HG3 PRO A 30 -12.636 -8.842 10.678 1.00 22.45 H new ATOM 0 HD2 PRO A 30 -13.327 -8.940 7.722 1.00 71.45 H new ATOM 0 HD3 PRO A 30 -13.460 -7.589 8.829 1.00 71.45 H new ATOM 464 N LYS A 31 -10.270 -9.939 6.471 1.00 53.21 N ATOM 465 CA LYS A 31 -9.636 -10.596 5.313 1.00 24.41 C ATOM 466 C LYS A 31 -8.399 -9.822 4.826 1.00 33.45 C ATOM 467 O LYS A 31 -7.275 -10.337 4.858 1.00 11.15 O ATOM 468 CB LYS A 31 -10.659 -10.730 4.153 1.00 41.45 C ATOM 469 CG LYS A 31 -10.088 -11.390 2.874 1.00 0.33 C ATOM 470 CD LYS A 31 -11.119 -11.504 1.731 1.00 20.10 C ATOM 471 CE LYS A 31 -12.370 -12.306 2.122 1.00 42.51 C ATOM 472 NZ LYS A 31 -12.043 -13.658 2.643 1.00 65.43 N ATOM 0 H LYS A 31 -11.238 -9.665 6.303 1.00 53.21 H new ATOM 0 HA LYS A 31 -9.309 -11.586 5.633 1.00 24.41 H new ATOM 0 HB2 LYS A 31 -11.510 -11.315 4.501 1.00 41.45 H new ATOM 0 HB3 LYS A 31 -11.035 -9.739 3.900 1.00 41.45 H new ATOM 0 HG2 LYS A 31 -9.233 -10.811 2.526 1.00 0.33 H new ATOM 0 HG3 LYS A 31 -9.719 -12.385 3.121 1.00 0.33 H new ATOM 0 HD2 LYS A 31 -11.419 -10.503 1.420 1.00 20.10 H new ATOM 0 HD3 LYS A 31 -10.647 -11.977 0.870 1.00 20.10 H new ATOM 0 HE2 LYS A 31 -12.929 -11.755 2.878 1.00 42.51 H new ATOM 0 HE3 LYS A 31 -13.021 -12.403 1.253 1.00 42.51 H new ATOM 0 HZ1 LYS A 31 -12.543 -14.377 2.082 1.00 65.43 H new ATOM 0 HZ2 LYS A 31 -11.018 -13.818 2.575 1.00 65.43 H new ATOM 0 HZ3 LYS A 31 -12.339 -13.728 3.638 1.00 65.43 H new ATOM 486 N THR A 32 -8.636 -8.568 4.409 1.00 72.40 N ATOM 487 CA THR A 32 -7.635 -7.732 3.734 1.00 72.13 C ATOM 488 C THR A 32 -6.569 -7.211 4.736 1.00 73.13 C ATOM 489 O THR A 32 -5.413 -6.962 4.354 1.00 64.24 O ATOM 490 CB THR A 32 -8.352 -6.547 2.988 1.00 3.50 C ATOM 491 OG1 THR A 32 -9.554 -7.032 2.351 1.00 40.44 O ATOM 492 CG2 THR A 32 -7.458 -5.900 1.908 1.00 1.50 C ATOM 0 H THR A 32 -9.536 -8.104 4.533 1.00 72.40 H new ATOM 0 HA THR A 32 -7.108 -8.339 2.997 1.00 72.13 H new ATOM 0 HB THR A 32 -8.580 -5.791 3.740 1.00 3.50 H new ATOM 0 HG1 THR A 32 -10.000 -6.292 1.888 1.00 40.44 H new ATOM 0 HG21 THR A 32 -8.001 -5.088 1.424 1.00 1.50 H new ATOM 0 HG22 THR A 32 -6.554 -5.506 2.372 1.00 1.50 H new ATOM 0 HG23 THR A 32 -7.187 -6.649 1.164 1.00 1.50 H new ATOM 500 N ALA A 33 -6.970 -7.072 6.021 1.00 42.01 N ATOM 501 CA ALA A 33 -6.058 -6.649 7.101 1.00 12.14 C ATOM 502 C ALA A 33 -5.092 -7.794 7.496 1.00 73.23 C ATOM 503 O ALA A 33 -3.870 -7.602 7.508 1.00 44.02 O ATOM 504 CB ALA A 33 -6.863 -6.163 8.314 1.00 11.11 C ATOM 0 H ALA A 33 -7.925 -7.249 6.333 1.00 42.01 H new ATOM 0 HA ALA A 33 -5.452 -5.821 6.735 1.00 12.14 H new ATOM 0 HB1 ALA A 33 -6.179 -5.854 9.104 1.00 11.11 H new ATOM 0 HB2 ALA A 33 -7.486 -5.318 8.022 1.00 11.11 H new ATOM 0 HB3 ALA A 33 -7.496 -6.972 8.678 1.00 11.11 H new ATOM 510 N GLU A 34 -5.659 -8.991 7.799 1.00 73.30 N ATOM 511 CA GLU A 34 -4.870 -10.198 8.179 1.00 15.14 C ATOM 512 C GLU A 34 -3.927 -10.615 7.037 1.00 22.14 C ATOM 513 O GLU A 34 -2.853 -11.174 7.288 1.00 54.42 O ATOM 514 CB GLU A 34 -5.796 -11.395 8.538 1.00 63.13 C ATOM 515 CG GLU A 34 -5.048 -12.681 8.974 1.00 24.32 C ATOM 516 CD GLU A 34 -5.935 -13.930 8.991 1.00 73.02 C ATOM 517 OE1 GLU A 34 -6.051 -14.597 7.939 1.00 33.54 O ATOM 518 OE2 GLU A 34 -6.528 -14.246 10.047 1.00 41.23 O ATOM 0 H GLU A 34 -6.667 -9.148 7.788 1.00 73.30 H new ATOM 0 HA GLU A 34 -4.283 -9.933 9.058 1.00 15.14 H new ATOM 0 HB2 GLU A 34 -6.467 -11.090 9.341 1.00 63.13 H new ATOM 0 HB3 GLU A 34 -6.419 -11.628 7.674 1.00 63.13 H new ATOM 0 HG2 GLU A 34 -4.209 -12.850 8.299 1.00 24.32 H new ATOM 0 HG3 GLU A 34 -4.630 -12.529 9.969 1.00 24.32 H new ATOM 525 N ASN A 35 -4.368 -10.351 5.784 1.00 52.34 N ATOM 526 CA ASN A 35 -3.568 -10.586 4.574 1.00 11.03 C ATOM 527 C ASN A 35 -2.218 -9.871 4.707 1.00 21.15 C ATOM 528 O ASN A 35 -1.197 -10.527 4.888 1.00 20.44 O ATOM 529 CB ASN A 35 -4.320 -10.103 3.301 1.00 35.23 C ATOM 530 CG ASN A 35 -3.536 -10.348 2.007 1.00 1.14 C ATOM 531 OD1 ASN A 35 -2.858 -11.354 1.858 1.00 2.22 O ATOM 532 ND2 ASN A 35 -3.604 -9.421 1.071 1.00 54.24 N ATOM 0 H ASN A 35 -5.293 -9.968 5.591 1.00 52.34 H new ATOM 0 HA ASN A 35 -3.399 -11.658 4.469 1.00 11.03 H new ATOM 0 HB2 ASN A 35 -5.281 -10.614 3.238 1.00 35.23 H new ATOM 0 HB3 ASN A 35 -4.531 -9.038 3.394 1.00 35.23 H new ATOM 0 HD21 ASN A 35 -3.084 -9.536 0.201 1.00 54.24 H new ATOM 0 HD22 ASN A 35 -4.176 -8.590 1.217 1.00 54.24 H new ATOM 539 N PHE A 36 -2.272 -8.524 4.728 1.00 62.11 N ATOM 540 CA PHE A 36 -1.091 -7.634 4.763 1.00 23.22 C ATOM 541 C PHE A 36 -0.190 -7.938 5.976 1.00 44.03 C ATOM 542 O PHE A 36 1.048 -7.881 5.875 1.00 22.04 O ATOM 543 CB PHE A 36 -1.589 -6.174 4.805 1.00 23.42 C ATOM 544 CG PHE A 36 -0.510 -5.090 4.704 1.00 35.31 C ATOM 545 CD1 PHE A 36 0.080 -4.786 3.472 1.00 34.10 C ATOM 546 CD2 PHE A 36 -0.118 -4.346 5.825 1.00 62.32 C ATOM 547 CE1 PHE A 36 1.023 -3.780 3.369 1.00 11.44 C ATOM 548 CE2 PHE A 36 0.828 -3.347 5.714 1.00 22.31 C ATOM 549 CZ PHE A 36 1.396 -3.064 4.487 1.00 70.40 C ATOM 0 H PHE A 36 -3.155 -8.013 4.721 1.00 62.11 H new ATOM 0 HA PHE A 36 -0.486 -7.800 3.872 1.00 23.22 H new ATOM 0 HB2 PHE A 36 -2.298 -6.030 3.989 1.00 23.42 H new ATOM 0 HB3 PHE A 36 -2.138 -6.026 5.735 1.00 23.42 H new ATOM 0 HD1 PHE A 36 -0.204 -5.343 2.592 1.00 34.10 H new ATOM 0 HD2 PHE A 36 -0.561 -4.557 6.787 1.00 62.32 H new ATOM 0 HE1 PHE A 36 1.468 -3.555 2.411 1.00 11.44 H new ATOM 0 HE2 PHE A 36 1.125 -2.786 6.588 1.00 22.31 H new ATOM 0 HZ PHE A 36 2.134 -2.280 4.403 1.00 70.40 H new ATOM 559 N ARG A 37 -0.843 -8.249 7.120 1.00 44.54 N ATOM 560 CA ARG A 37 -0.166 -8.694 8.348 1.00 51.33 C ATOM 561 C ARG A 37 0.715 -9.918 8.058 1.00 51.25 C ATOM 562 O ARG A 37 1.922 -9.871 8.247 1.00 33.24 O ATOM 563 CB ARG A 37 -1.205 -9.034 9.464 1.00 25.04 C ATOM 564 CG ARG A 37 -0.630 -9.851 10.652 1.00 5.02 C ATOM 565 CD ARG A 37 -1.684 -10.224 11.700 1.00 62.31 C ATOM 566 NE ARG A 37 -2.119 -9.064 12.493 1.00 55.20 N ATOM 567 CZ ARG A 37 -2.025 -8.961 13.829 1.00 74.34 C ATOM 568 NH1 ARG A 37 -1.512 -9.942 14.561 1.00 25.14 N ATOM 569 NH2 ARG A 37 -2.450 -7.873 14.425 1.00 12.35 N ATOM 0 H ARG A 37 -1.858 -8.196 7.212 1.00 44.54 H new ATOM 0 HA ARG A 37 0.465 -7.879 8.702 1.00 51.33 H new ATOM 0 HB2 ARG A 37 -1.624 -8.104 9.848 1.00 25.04 H new ATOM 0 HB3 ARG A 37 -2.027 -9.594 9.019 1.00 25.04 H new ATOM 0 HG2 ARG A 37 -0.171 -10.762 10.268 1.00 5.02 H new ATOM 0 HG3 ARG A 37 0.160 -9.274 11.132 1.00 5.02 H new ATOM 0 HD2 ARG A 37 -2.548 -10.665 11.202 1.00 62.31 H new ATOM 0 HD3 ARG A 37 -1.277 -10.985 12.366 1.00 62.31 H new ATOM 0 HE ARG A 37 -2.524 -8.275 11.988 1.00 55.20 H new ATOM 0 HH11 ARG A 37 -1.180 -10.795 14.110 1.00 25.14 H new ATOM 0 HH12 ARG A 37 -1.450 -9.843 15.574 1.00 25.14 H new ATOM 0 HH21 ARG A 37 -2.849 -7.112 13.874 1.00 12.35 H new ATOM 0 HH22 ARG A 37 -2.382 -7.787 15.439 1.00 12.35 H new ATOM 583 N ALA A 38 0.080 -10.982 7.552 1.00 32.43 N ATOM 584 CA ALA A 38 0.707 -12.297 7.371 1.00 32.51 C ATOM 585 C ALA A 38 1.681 -12.308 6.187 1.00 74.51 C ATOM 586 O ALA A 38 2.525 -13.201 6.091 1.00 52.40 O ATOM 587 CB ALA A 38 -0.377 -13.358 7.195 1.00 52.22 C ATOM 0 H ALA A 38 -0.895 -10.954 7.253 1.00 32.43 H new ATOM 0 HA ALA A 38 1.292 -12.523 8.262 1.00 32.51 H new ATOM 0 HB1 ALA A 38 0.088 -14.335 7.061 1.00 52.22 H new ATOM 0 HB2 ALA A 38 -1.014 -13.378 8.080 1.00 52.22 H new ATOM 0 HB3 ALA A 38 -0.980 -13.120 6.319 1.00 52.22 H new ATOM 593 N LEU A 39 1.540 -11.322 5.281 1.00 72.02 N ATOM 594 CA LEU A 39 2.482 -11.113 4.175 1.00 41.44 C ATOM 595 C LEU A 39 3.806 -10.560 4.730 1.00 23.21 C ATOM 596 O LEU A 39 4.879 -11.057 4.391 1.00 0.13 O ATOM 597 CB LEU A 39 1.896 -10.146 3.101 1.00 22.01 C ATOM 598 CG LEU A 39 0.593 -10.610 2.367 1.00 54.00 C ATOM 599 CD1 LEU A 39 0.233 -9.675 1.193 1.00 14.11 C ATOM 600 CD2 LEU A 39 0.671 -12.082 1.914 1.00 63.44 C ATOM 0 H LEU A 39 0.771 -10.652 5.298 1.00 72.02 H new ATOM 0 HA LEU A 39 2.662 -12.071 3.688 1.00 41.44 H new ATOM 0 HB2 LEU A 39 1.693 -9.189 3.581 1.00 22.01 H new ATOM 0 HB3 LEU A 39 2.664 -9.968 2.349 1.00 22.01 H new ATOM 0 HG LEU A 39 -0.215 -10.545 3.096 1.00 54.00 H new ATOM 0 HD11 LEU A 39 -0.677 -10.031 0.710 1.00 14.11 H new ATOM 0 HD12 LEU A 39 0.073 -8.664 1.569 1.00 14.11 H new ATOM 0 HD13 LEU A 39 1.049 -9.668 0.470 1.00 14.11 H new ATOM 0 HD21 LEU A 39 -0.256 -12.357 1.410 1.00 63.44 H new ATOM 0 HD22 LEU A 39 1.508 -12.208 1.228 1.00 63.44 H new ATOM 0 HD23 LEU A 39 0.815 -12.723 2.784 1.00 63.44 H new ATOM 612 N SER A 40 3.692 -9.547 5.611 1.00 53.10 N ATOM 613 CA SER A 40 4.844 -8.876 6.244 1.00 74.31 C ATOM 614 C SER A 40 5.574 -9.818 7.231 1.00 71.21 C ATOM 615 O SER A 40 6.777 -10.082 7.087 1.00 10.24 O ATOM 616 CB SER A 40 4.356 -7.600 6.979 1.00 73.21 C ATOM 617 OG SER A 40 5.404 -6.968 7.696 1.00 51.23 O ATOM 0 H SER A 40 2.792 -9.169 5.905 1.00 53.10 H new ATOM 0 HA SER A 40 5.555 -8.601 5.465 1.00 74.31 H new ATOM 0 HB2 SER A 40 3.939 -6.901 6.254 1.00 73.21 H new ATOM 0 HB3 SER A 40 3.552 -7.863 7.667 1.00 73.21 H new ATOM 0 HG SER A 40 5.445 -6.021 7.448 1.00 51.23 H new ATOM 623 N THR A 41 4.813 -10.331 8.212 1.00 31.32 N ATOM 624 CA THR A 41 5.336 -11.143 9.322 1.00 73.02 C ATOM 625 C THR A 41 5.649 -12.580 8.869 1.00 12.13 C ATOM 626 O THR A 41 6.565 -13.214 9.398 1.00 24.44 O ATOM 627 CB THR A 41 4.306 -11.184 10.501 1.00 20.52 C ATOM 628 OG1 THR A 41 3.067 -11.740 10.032 1.00 54.44 O ATOM 629 CG2 THR A 41 4.036 -9.784 11.092 1.00 3.04 C ATOM 0 H THR A 41 3.804 -10.191 8.256 1.00 31.32 H new ATOM 0 HA THR A 41 6.261 -10.677 9.660 1.00 73.02 H new ATOM 0 HB THR A 41 4.736 -11.802 11.289 1.00 20.52 H new ATOM 0 HG1 THR A 41 2.596 -11.076 9.486 1.00 54.44 H new ATOM 0 HG21 THR A 41 3.316 -9.865 11.906 1.00 3.04 H new ATOM 0 HG22 THR A 41 4.967 -9.364 11.472 1.00 3.04 H new ATOM 0 HG23 THR A 41 3.634 -9.133 10.316 1.00 3.04 H new ATOM 637 N GLY A 42 4.881 -13.083 7.881 1.00 12.11 N ATOM 638 CA GLY A 42 5.062 -14.442 7.375 1.00 50.31 C ATOM 639 C GLY A 42 4.307 -15.483 8.181 1.00 11.33 C ATOM 640 O GLY A 42 4.755 -16.630 8.279 1.00 1.10 O ATOM 0 H GLY A 42 4.133 -12.562 7.424 1.00 12.11 H new ATOM 0 HA2 GLY A 42 4.731 -14.484 6.337 1.00 50.31 H new ATOM 0 HA3 GLY A 42 6.124 -14.687 7.381 1.00 50.31 H new ATOM 644 N GLU A 43 3.140 -15.088 8.742 1.00 30.43 N ATOM 645 CA GLU A 43 2.260 -16.013 9.496 1.00 31.31 C ATOM 646 C GLU A 43 1.663 -17.099 8.584 1.00 1.13 C ATOM 647 O GLU A 43 1.346 -18.196 9.047 1.00 64.21 O ATOM 648 CB GLU A 43 1.129 -15.245 10.244 1.00 3.44 C ATOM 649 CG GLU A 43 1.629 -14.321 11.373 1.00 43.11 C ATOM 650 CD GLU A 43 2.497 -15.056 12.419 1.00 64.33 C ATOM 651 OE1 GLU A 43 1.940 -15.709 13.327 1.00 62.35 O ATOM 652 OE2 GLU A 43 3.744 -15.001 12.323 1.00 31.43 O ATOM 0 H GLU A 43 2.785 -14.133 8.687 1.00 30.43 H new ATOM 0 HA GLU A 43 2.884 -16.506 10.241 1.00 31.31 H new ATOM 0 HB2 GLU A 43 0.572 -14.648 9.522 1.00 3.44 H new ATOM 0 HB3 GLU A 43 0.431 -15.969 10.665 1.00 3.44 H new ATOM 0 HG2 GLU A 43 2.207 -13.506 10.938 1.00 43.11 H new ATOM 0 HG3 GLU A 43 0.771 -13.871 11.873 1.00 43.11 H new ATOM 659 N LYS A 44 1.503 -16.776 7.285 1.00 41.33 N ATOM 660 CA LYS A 44 1.034 -17.745 6.263 1.00 21.32 C ATOM 661 C LYS A 44 2.206 -18.189 5.353 1.00 53.44 C ATOM 662 O LYS A 44 1.990 -18.723 4.262 1.00 71.03 O ATOM 663 CB LYS A 44 -0.145 -17.136 5.443 1.00 71.21 C ATOM 664 CG LYS A 44 -1.357 -16.670 6.295 1.00 72.35 C ATOM 665 CD LYS A 44 -1.999 -17.794 7.141 1.00 2.44 C ATOM 666 CE LYS A 44 -3.088 -17.280 8.111 1.00 3.13 C ATOM 667 NZ LYS A 44 -4.250 -16.669 7.408 1.00 60.41 N ATOM 0 H LYS A 44 1.692 -15.845 6.913 1.00 41.33 H new ATOM 0 HA LYS A 44 0.660 -18.638 6.764 1.00 21.32 H new ATOM 0 HB2 LYS A 44 0.229 -16.286 4.872 1.00 71.21 H new ATOM 0 HB3 LYS A 44 -0.489 -17.878 4.722 1.00 71.21 H new ATOM 0 HG2 LYS A 44 -1.035 -15.868 6.959 1.00 72.35 H new ATOM 0 HG3 LYS A 44 -2.114 -16.250 5.633 1.00 72.35 H new ATOM 0 HD2 LYS A 44 -2.437 -18.537 6.474 1.00 2.44 H new ATOM 0 HD3 LYS A 44 -1.221 -18.299 7.713 1.00 2.44 H new ATOM 0 HE2 LYS A 44 -3.438 -18.108 8.728 1.00 3.13 H new ATOM 0 HE3 LYS A 44 -2.649 -16.544 8.784 1.00 3.13 H new ATOM 0 HZ1 LYS A 44 -4.510 -15.778 7.877 1.00 60.41 H new ATOM 0 HZ2 LYS A 44 -3.995 -16.478 6.418 1.00 60.41 H new ATOM 0 HZ3 LYS A 44 -5.057 -17.324 7.437 1.00 60.41 H new ATOM 681 N GLY A 45 3.451 -17.975 5.834 1.00 35.30 N ATOM 682 CA GLY A 45 4.656 -18.537 5.211 1.00 61.34 C ATOM 683 C GLY A 45 5.144 -17.792 3.983 1.00 75.02 C ATOM 684 O GLY A 45 5.437 -18.427 2.965 1.00 12.00 O ATOM 0 H GLY A 45 3.641 -17.410 6.661 1.00 35.30 H new ATOM 0 HA2 GLY A 45 5.456 -18.553 5.951 1.00 61.34 H new ATOM 0 HA3 GLY A 45 4.456 -19.572 4.935 1.00 61.34 H new ATOM 688 N PHE A 46 5.259 -16.447 4.060 1.00 75.10 N ATOM 689 CA PHE A 46 5.699 -15.622 2.900 1.00 42.00 C ATOM 690 C PHE A 46 6.827 -14.658 3.294 1.00 33.43 C ATOM 691 O PHE A 46 7.884 -14.636 2.642 1.00 23.30 O ATOM 692 CB PHE A 46 4.503 -14.803 2.350 1.00 53.10 C ATOM 693 CG PHE A 46 3.262 -15.627 2.020 1.00 52.21 C ATOM 694 CD1 PHE A 46 3.335 -16.730 1.171 1.00 14.12 C ATOM 695 CD2 PHE A 46 2.022 -15.290 2.546 1.00 31.05 C ATOM 696 CE1 PHE A 46 2.210 -17.463 0.861 1.00 0.43 C ATOM 697 CE2 PHE A 46 0.907 -16.024 2.239 1.00 32.20 C ATOM 698 CZ PHE A 46 0.995 -17.114 1.400 1.00 43.53 C ATOM 0 H PHE A 46 5.057 -15.909 4.903 1.00 75.10 H new ATOM 0 HA PHE A 46 6.073 -16.301 2.133 1.00 42.00 H new ATOM 0 HB2 PHE A 46 4.233 -14.043 3.083 1.00 53.10 H new ATOM 0 HB3 PHE A 46 4.823 -14.278 1.450 1.00 53.10 H new ATOM 0 HD1 PHE A 46 4.288 -17.015 0.750 1.00 14.12 H new ATOM 0 HD2 PHE A 46 1.936 -14.439 3.205 1.00 31.05 H new ATOM 0 HE1 PHE A 46 2.283 -18.310 0.195 1.00 0.43 H new ATOM 0 HE2 PHE A 46 -0.049 -15.746 2.658 1.00 32.20 H new ATOM 0 HZ PHE A 46 0.113 -17.692 1.167 1.00 43.53 H new ATOM 708 N GLY A 47 6.586 -13.905 4.393 1.00 40.45 N ATOM 709 CA GLY A 47 7.564 -12.981 4.985 1.00 11.21 C ATOM 710 C GLY A 47 8.250 -12.051 3.985 1.00 51.35 C ATOM 711 O GLY A 47 9.485 -12.026 3.919 1.00 75.14 O ATOM 0 H GLY A 47 5.697 -13.927 4.893 1.00 40.45 H new ATOM 0 HA2 GLY A 47 7.061 -12.375 5.738 1.00 11.21 H new ATOM 0 HA3 GLY A 47 8.327 -13.563 5.502 1.00 11.21 H new ATOM 715 N TYR A 48 7.447 -11.311 3.190 1.00 21.42 N ATOM 716 CA TYR A 48 7.958 -10.401 2.142 1.00 62.12 C ATOM 717 C TYR A 48 8.831 -9.286 2.741 1.00 21.43 C ATOM 718 O TYR A 48 8.329 -8.267 3.232 1.00 25.20 O ATOM 719 CB TYR A 48 6.804 -9.797 1.303 1.00 32.15 C ATOM 720 CG TYR A 48 5.912 -10.854 0.647 1.00 34.31 C ATOM 721 CD1 TYR A 48 6.457 -11.835 -0.175 1.00 65.31 C ATOM 722 CD2 TYR A 48 4.534 -10.852 0.812 1.00 41.12 C ATOM 723 CE1 TYR A 48 5.666 -12.779 -0.786 1.00 20.15 C ATOM 724 CE2 TYR A 48 3.743 -11.793 0.198 1.00 12.01 C ATOM 725 CZ TYR A 48 4.309 -12.751 -0.596 1.00 33.21 C ATOM 726 OH TYR A 48 3.519 -13.713 -1.171 1.00 33.52 O ATOM 0 H TYR A 48 6.429 -11.327 3.256 1.00 21.42 H new ATOM 0 HA TYR A 48 8.582 -10.998 1.477 1.00 62.12 H new ATOM 0 HB2 TYR A 48 6.192 -9.163 1.944 1.00 32.15 H new ATOM 0 HB3 TYR A 48 7.225 -9.156 0.528 1.00 32.15 H new ATOM 0 HD1 TYR A 48 7.525 -11.856 -0.337 1.00 65.31 H new ATOM 0 HD2 TYR A 48 4.075 -10.098 1.434 1.00 41.12 H new ATOM 0 HE1 TYR A 48 6.111 -13.538 -1.412 1.00 20.15 H new ATOM 0 HE2 TYR A 48 2.673 -11.776 0.343 1.00 12.01 H new ATOM 0 HH TYR A 48 2.620 -13.352 -1.319 1.00 33.52 H new ATOM 736 N LYS A 49 10.142 -9.531 2.726 1.00 32.32 N ATOM 737 CA LYS A 49 11.145 -8.655 3.323 1.00 41.21 C ATOM 738 C LYS A 49 11.761 -7.779 2.221 1.00 41.04 C ATOM 739 O LYS A 49 12.573 -8.266 1.425 1.00 21.14 O ATOM 740 CB LYS A 49 12.232 -9.531 4.016 1.00 22.15 C ATOM 741 CG LYS A 49 13.168 -8.765 4.973 1.00 14.12 C ATOM 742 CD LYS A 49 12.435 -8.299 6.254 1.00 55.11 C ATOM 743 CE LYS A 49 13.361 -7.593 7.250 1.00 55.01 C ATOM 744 NZ LYS A 49 12.683 -7.330 8.546 1.00 22.55 N ATOM 0 H LYS A 49 10.542 -10.361 2.289 1.00 32.32 H new ATOM 0 HA LYS A 49 10.693 -8.004 4.072 1.00 41.21 H new ATOM 0 HB2 LYS A 49 11.737 -10.326 4.574 1.00 22.15 H new ATOM 0 HB3 LYS A 49 12.836 -10.011 3.246 1.00 22.15 H new ATOM 0 HG2 LYS A 49 14.007 -9.404 5.248 1.00 14.12 H new ATOM 0 HG3 LYS A 49 13.583 -7.899 4.458 1.00 14.12 H new ATOM 0 HD2 LYS A 49 11.625 -7.624 5.977 1.00 55.11 H new ATOM 0 HD3 LYS A 49 11.979 -9.162 6.739 1.00 55.11 H new ATOM 0 HE2 LYS A 49 14.246 -8.206 7.421 1.00 55.01 H new ATOM 0 HE3 LYS A 49 13.704 -6.651 6.822 1.00 55.01 H new ATOM 0 HZ1 LYS A 49 13.093 -6.482 8.987 1.00 22.55 H new ATOM 0 HZ2 LYS A 49 11.667 -7.178 8.382 1.00 22.55 H new ATOM 0 HZ3 LYS A 49 12.813 -8.146 9.178 1.00 22.55 H new ATOM 758 N GLY A 50 11.340 -6.503 2.140 1.00 32.03 N ATOM 759 CA GLY A 50 11.963 -5.547 1.215 1.00 44.41 C ATOM 760 C GLY A 50 11.080 -5.124 0.049 1.00 61.21 C ATOM 761 O GLY A 50 11.606 -4.713 -0.992 1.00 74.32 O ATOM 0 H GLY A 50 10.579 -6.116 2.699 1.00 32.03 H new ATOM 0 HA2 GLY A 50 12.254 -4.658 1.774 1.00 44.41 H new ATOM 0 HA3 GLY A 50 12.878 -5.988 0.819 1.00 44.41 H new ATOM 765 N SER A 51 9.743 -5.255 0.210 1.00 2.44 N ATOM 766 CA SER A 51 8.746 -4.849 -0.812 1.00 72.12 C ATOM 767 C SER A 51 8.960 -3.372 -1.250 1.00 24.32 C ATOM 768 O SER A 51 9.048 -2.480 -0.405 1.00 3.23 O ATOM 769 CB SER A 51 7.329 -5.050 -0.241 1.00 14.33 C ATOM 770 OG SER A 51 7.159 -6.378 0.240 1.00 65.32 O ATOM 0 H SER A 51 9.323 -5.646 1.053 1.00 2.44 H new ATOM 0 HA SER A 51 8.872 -5.471 -1.698 1.00 72.12 H new ATOM 0 HB2 SER A 51 7.155 -4.341 0.568 1.00 14.33 H new ATOM 0 HB3 SER A 51 6.588 -4.841 -1.013 1.00 14.33 H new ATOM 0 HG SER A 51 7.570 -7.008 -0.388 1.00 65.32 H new ATOM 776 N CYS A 52 9.050 -3.134 -2.568 1.00 63.23 N ATOM 777 CA CYS A 52 9.499 -1.841 -3.125 1.00 31.50 C ATOM 778 C CYS A 52 8.329 -0.987 -3.659 1.00 23.51 C ATOM 779 O CYS A 52 7.442 -1.490 -4.355 1.00 3.50 O ATOM 780 CB CYS A 52 10.518 -2.114 -4.253 1.00 4.13 C ATOM 781 SG CYS A 52 9.905 -3.224 -5.543 1.00 52.10 S ATOM 0 H CYS A 52 8.815 -3.827 -3.278 1.00 63.23 H new ATOM 0 HA CYS A 52 9.961 -1.268 -2.321 1.00 31.50 H new ATOM 0 HB2 CYS A 52 10.803 -1.166 -4.709 1.00 4.13 H new ATOM 0 HB3 CYS A 52 11.421 -2.543 -3.818 1.00 4.13 H new ATOM 0 HG CYS A 52 8.808 -2.741 -6.046 1.00 52.10 H new ATOM 787 N PHE A 53 8.338 0.308 -3.296 1.00 44.25 N ATOM 788 CA PHE A 53 7.499 1.345 -3.919 1.00 22.21 C ATOM 789 C PHE A 53 8.071 1.672 -5.307 1.00 3.24 C ATOM 790 O PHE A 53 9.099 2.349 -5.428 1.00 24.24 O ATOM 791 CB PHE A 53 7.433 2.614 -3.022 1.00 51.12 C ATOM 792 CG PHE A 53 6.777 2.365 -1.665 1.00 1.43 C ATOM 793 CD1 PHE A 53 7.500 1.797 -0.610 1.00 15.33 C ATOM 794 CD2 PHE A 53 5.431 2.673 -1.451 1.00 35.13 C ATOM 795 CE1 PHE A 53 6.899 1.551 0.606 1.00 74.40 C ATOM 796 CE2 PHE A 53 4.835 2.428 -0.231 1.00 61.24 C ATOM 797 CZ PHE A 53 5.566 1.863 0.796 1.00 52.41 C ATOM 0 H PHE A 53 8.936 0.667 -2.552 1.00 44.25 H new ATOM 0 HA PHE A 53 6.479 0.977 -4.028 1.00 22.21 H new ATOM 0 HB2 PHE A 53 8.443 2.992 -2.865 1.00 51.12 H new ATOM 0 HB3 PHE A 53 6.880 3.393 -3.547 1.00 51.12 H new ATOM 0 HD1 PHE A 53 8.542 1.548 -0.750 1.00 15.33 H new ATOM 0 HD2 PHE A 53 4.850 3.108 -2.251 1.00 35.13 H new ATOM 0 HE1 PHE A 53 7.471 1.114 1.411 1.00 74.40 H new ATOM 0 HE2 PHE A 53 3.795 2.678 -0.079 1.00 61.24 H new ATOM 0 HZ PHE A 53 5.096 1.665 1.748 1.00 52.41 H new ATOM 807 N HIS A 54 7.415 1.136 -6.345 1.00 5.31 N ATOM 808 CA HIS A 54 7.891 1.216 -7.745 1.00 32.45 C ATOM 809 C HIS A 54 6.943 2.045 -8.630 1.00 52.01 C ATOM 810 O HIS A 54 7.308 2.423 -9.747 1.00 24.11 O ATOM 811 CB HIS A 54 8.090 -0.216 -8.315 1.00 44.12 C ATOM 812 CG HIS A 54 6.913 -1.144 -8.142 1.00 32.23 C ATOM 813 ND1 HIS A 54 6.814 -2.031 -7.092 1.00 45.53 N ATOM 814 CD2 HIS A 54 5.801 -1.339 -8.894 1.00 53.24 C ATOM 815 CE1 HIS A 54 5.702 -2.722 -7.207 1.00 41.30 C ATOM 816 NE2 HIS A 54 5.071 -2.320 -8.290 1.00 61.23 N ATOM 0 H HIS A 54 6.535 0.631 -6.244 1.00 5.31 H new ATOM 0 HA HIS A 54 8.850 1.734 -7.749 1.00 32.45 H new ATOM 0 HB2 HIS A 54 8.318 -0.138 -9.378 1.00 44.12 H new ATOM 0 HB3 HIS A 54 8.960 -0.664 -7.834 1.00 44.12 H new ATOM 0 HD2 HIS A 54 5.542 -0.815 -9.802 1.00 53.24 H new ATOM 0 HE1 HIS A 54 5.363 -3.490 -6.528 1.00 41.30 H new ATOM 0 HE2 HIS A 54 4.179 -2.684 -8.624 1.00 61.23 H new ATOM 825 N ARG A 55 5.733 2.341 -8.127 1.00 13.31 N ATOM 826 CA ARG A 55 4.738 3.141 -8.858 1.00 32.23 C ATOM 827 C ARG A 55 4.241 4.284 -7.971 1.00 54.23 C ATOM 828 O ARG A 55 3.422 4.063 -7.098 1.00 24.23 O ATOM 829 CB ARG A 55 3.545 2.266 -9.324 1.00 33.41 C ATOM 830 CG ARG A 55 2.472 3.068 -10.098 1.00 65.21 C ATOM 831 CD ARG A 55 1.255 2.236 -10.515 1.00 55.31 C ATOM 832 NE ARG A 55 0.360 3.029 -11.374 1.00 44.25 N ATOM 833 CZ ARG A 55 -0.969 3.144 -11.217 1.00 3.50 C ATOM 834 NH1 ARG A 55 -1.601 2.500 -10.241 1.00 10.20 N ATOM 835 NH2 ARG A 55 -1.653 3.953 -12.000 1.00 42.42 N ATOM 0 H ARG A 55 5.419 2.034 -7.207 1.00 13.31 H new ATOM 0 HA ARG A 55 5.216 3.554 -9.746 1.00 32.23 H new ATOM 0 HB2 ARG A 55 3.918 1.462 -9.959 1.00 33.41 H new ATOM 0 HB3 ARG A 55 3.084 1.798 -8.454 1.00 33.41 H new ATOM 0 HG2 ARG A 55 2.136 3.899 -9.478 1.00 65.21 H new ATOM 0 HG3 ARG A 55 2.928 3.499 -10.989 1.00 65.21 H new ATOM 0 HD2 ARG A 55 1.582 1.343 -11.047 1.00 55.31 H new ATOM 0 HD3 ARG A 55 0.716 1.900 -9.629 1.00 55.31 H new ATOM 0 HE ARG A 55 0.784 3.533 -12.153 1.00 44.25 H new ATOM 0 HH11 ARG A 55 -1.076 1.908 -9.597 1.00 10.20 H new ATOM 0 HH12 ARG A 55 -2.611 2.598 -10.136 1.00 10.20 H new ATOM 0 HH21 ARG A 55 -1.173 4.490 -12.723 1.00 42.42 H new ATOM 0 HH22 ARG A 55 -2.662 4.043 -11.884 1.00 42.42 H new ATOM 849 N ILE A 56 4.750 5.506 -8.175 1.00 65.53 N ATOM 850 CA ILE A 56 4.322 6.693 -7.405 1.00 43.53 C ATOM 851 C ILE A 56 3.949 7.844 -8.366 1.00 51.13 C ATOM 852 O ILE A 56 4.754 8.235 -9.223 1.00 20.51 O ATOM 853 CB ILE A 56 5.431 7.159 -6.390 1.00 13.20 C ATOM 854 CG1 ILE A 56 5.840 5.995 -5.421 1.00 13.43 C ATOM 855 CG2 ILE A 56 4.960 8.398 -5.595 1.00 62.52 C ATOM 856 CD1 ILE A 56 6.932 6.340 -4.418 1.00 53.35 C ATOM 0 H ILE A 56 5.466 5.705 -8.873 1.00 65.53 H new ATOM 0 HA ILE A 56 3.443 6.415 -6.823 1.00 43.53 H new ATOM 0 HB ILE A 56 6.314 7.438 -6.965 1.00 13.20 H new ATOM 0 HG12 ILE A 56 4.955 5.672 -4.873 1.00 13.43 H new ATOM 0 HG13 ILE A 56 6.173 5.146 -6.019 1.00 13.43 H new ATOM 0 HG21 ILE A 56 5.742 8.703 -4.900 1.00 62.52 H new ATOM 0 HG22 ILE A 56 4.750 9.215 -6.285 1.00 62.52 H new ATOM 0 HG23 ILE A 56 4.056 8.151 -5.039 1.00 62.52 H new ATOM 0 HD11 ILE A 56 7.142 5.470 -3.795 1.00 53.35 H new ATOM 0 HD12 ILE A 56 7.837 6.632 -4.951 1.00 53.35 H new ATOM 0 HD13 ILE A 56 6.600 7.165 -3.788 1.00 53.35 H new ATOM 868 N ILE A 57 2.715 8.369 -8.203 1.00 1.31 N ATOM 869 CA ILE A 57 2.178 9.498 -8.991 1.00 13.01 C ATOM 870 C ILE A 57 1.907 10.701 -8.041 1.00 52.10 C ATOM 871 O ILE A 57 1.041 10.588 -7.148 1.00 14.04 O ATOM 872 CB ILE A 57 0.847 9.096 -9.748 1.00 50.51 C ATOM 873 CG1 ILE A 57 1.066 7.800 -10.600 1.00 23.35 C ATOM 874 CG2 ILE A 57 0.334 10.269 -10.633 1.00 10.44 C ATOM 875 CD1 ILE A 57 -0.182 7.272 -11.291 1.00 12.22 C ATOM 0 H ILE A 57 2.055 8.015 -7.510 1.00 1.31 H new ATOM 0 HA ILE A 57 2.915 9.775 -9.744 1.00 13.01 H new ATOM 0 HB ILE A 57 0.081 8.884 -9.002 1.00 50.51 H new ATOM 0 HG12 ILE A 57 1.824 8.003 -11.356 1.00 23.35 H new ATOM 0 HG13 ILE A 57 1.463 7.019 -9.952 1.00 23.35 H new ATOM 0 HG21 ILE A 57 -0.581 9.967 -11.142 1.00 10.44 H new ATOM 0 HG22 ILE A 57 0.131 11.137 -10.005 1.00 10.44 H new ATOM 0 HG23 ILE A 57 1.093 10.526 -11.372 1.00 10.44 H new ATOM 0 HD11 ILE A 57 0.067 6.374 -11.856 1.00 12.22 H new ATOM 0 HD12 ILE A 57 -0.938 7.032 -10.543 1.00 12.22 H new ATOM 0 HD13 ILE A 57 -0.571 8.031 -11.969 1.00 12.22 H new ATOM 887 N PRO A 58 2.663 11.853 -8.200 1.00 65.44 N ATOM 888 CA PRO A 58 2.474 13.085 -7.384 1.00 13.42 C ATOM 889 C PRO A 58 1.064 13.681 -7.531 1.00 71.24 C ATOM 890 O PRO A 58 0.589 13.883 -8.652 1.00 71.02 O ATOM 891 CB PRO A 58 3.555 14.066 -7.926 1.00 53.13 C ATOM 892 CG PRO A 58 4.566 13.187 -8.588 1.00 51.11 C ATOM 893 CD PRO A 58 3.770 12.039 -9.173 1.00 13.20 C ATOM 0 HA PRO A 58 2.577 12.880 -6.318 1.00 13.42 H new ATOM 0 HB2 PRO A 58 3.126 14.778 -8.632 1.00 53.13 H new ATOM 0 HB3 PRO A 58 4.003 14.647 -7.120 1.00 53.13 H new ATOM 0 HG2 PRO A 58 5.109 13.726 -9.364 1.00 51.11 H new ATOM 0 HG3 PRO A 58 5.306 12.829 -7.872 1.00 51.11 H new ATOM 0 HD2 PRO A 58 3.394 12.277 -10.168 1.00 13.20 H new ATOM 0 HD3 PRO A 58 4.376 11.138 -9.269 1.00 13.20 H new ATOM 901 N GLY A 59 0.422 13.961 -6.388 1.00 52.11 N ATOM 902 CA GLY A 59 -0.955 14.454 -6.348 1.00 44.03 C ATOM 903 C GLY A 59 -1.983 13.337 -6.487 1.00 4.31 C ATOM 904 O GLY A 59 -3.104 13.575 -6.955 1.00 52.44 O ATOM 0 H GLY A 59 0.846 13.851 -5.467 1.00 52.11 H new ATOM 0 HA2 GLY A 59 -1.121 14.980 -5.408 1.00 44.03 H new ATOM 0 HA3 GLY A 59 -1.101 15.178 -7.149 1.00 44.03 H new ATOM 908 N PHE A 60 -1.598 12.107 -6.087 1.00 51.30 N ATOM 909 CA PHE A 60 -2.479 10.930 -6.153 1.00 45.35 C ATOM 910 C PHE A 60 -2.103 9.907 -5.064 1.00 44.00 C ATOM 911 O PHE A 60 -2.794 9.832 -4.029 1.00 50.45 O ATOM 912 CB PHE A 60 -2.470 10.323 -7.591 1.00 52.31 C ATOM 913 CG PHE A 60 -3.272 9.034 -7.783 1.00 53.10 C ATOM 914 CD1 PHE A 60 -4.590 8.933 -7.341 1.00 74.42 C ATOM 915 CD2 PHE A 60 -2.723 7.939 -8.452 1.00 13.05 C ATOM 916 CE1 PHE A 60 -5.326 7.782 -7.548 1.00 0.53 C ATOM 917 CE2 PHE A 60 -3.460 6.791 -8.658 1.00 44.22 C ATOM 918 CZ PHE A 60 -4.759 6.711 -8.199 1.00 5.40 C ATOM 0 H PHE A 60 -0.671 11.906 -5.711 1.00 51.30 H new ATOM 0 HA PHE A 60 -3.505 11.236 -5.948 1.00 45.35 H new ATOM 0 HB2 PHE A 60 -2.855 11.073 -8.282 1.00 52.31 H new ATOM 0 HB3 PHE A 60 -1.436 10.129 -7.875 1.00 52.31 H new ATOM 0 HD1 PHE A 60 -5.044 9.768 -6.828 1.00 74.42 H new ATOM 0 HD2 PHE A 60 -1.707 7.991 -8.814 1.00 13.05 H new ATOM 0 HE1 PHE A 60 -6.346 7.723 -7.199 1.00 0.53 H new ATOM 0 HE2 PHE A 60 -3.020 5.954 -9.179 1.00 44.22 H new ATOM 0 HZ PHE A 60 -5.331 5.807 -8.351 1.00 5.40 H new ATOM 928 N MET A 61 -0.995 9.148 -5.261 1.00 15.33 N ATOM 929 CA MET A 61 -0.627 8.057 -4.323 1.00 22.12 C ATOM 930 C MET A 61 0.817 7.568 -4.515 1.00 41.32 C ATOM 931 O MET A 61 1.449 7.832 -5.543 1.00 70.31 O ATOM 932 CB MET A 61 -1.611 6.850 -4.460 1.00 60.53 C ATOM 933 CG MET A 61 -1.413 5.969 -5.701 1.00 4.12 C ATOM 934 SD MET A 61 -2.709 4.725 -5.874 1.00 32.21 S ATOM 935 CE MET A 61 -2.122 3.799 -7.287 1.00 23.31 C ATOM 0 H MET A 61 -0.353 9.267 -6.044 1.00 15.33 H new ATOM 0 HA MET A 61 -0.701 8.479 -3.321 1.00 22.12 H new ATOM 0 HB2 MET A 61 -1.515 6.224 -3.573 1.00 60.53 H new ATOM 0 HB3 MET A 61 -2.631 7.235 -4.469 1.00 60.53 H new ATOM 0 HG2 MET A 61 -1.396 6.598 -6.591 1.00 4.12 H new ATOM 0 HG3 MET A 61 -0.444 5.474 -5.641 1.00 4.12 H new ATOM 0 HE1 MET A 61 -2.704 4.071 -8.167 1.00 23.31 H new ATOM 0 HE2 MET A 61 -1.071 4.029 -7.462 1.00 23.31 H new ATOM 0 HE3 MET A 61 -2.232 2.732 -7.094 1.00 23.31 H new ATOM 945 N CYS A 62 1.312 6.844 -3.494 1.00 5.33 N ATOM 946 CA CYS A 62 2.561 6.080 -3.554 1.00 54.14 C ATOM 947 C CYS A 62 2.237 4.577 -3.403 1.00 14.21 C ATOM 948 O CYS A 62 1.834 4.125 -2.327 1.00 34.41 O ATOM 949 CB CYS A 62 3.515 6.569 -2.440 1.00 13.31 C ATOM 950 SG CYS A 62 2.806 6.514 -0.782 1.00 65.44 S ATOM 0 H CYS A 62 0.843 6.776 -2.591 1.00 5.33 H new ATOM 0 HA CYS A 62 3.057 6.231 -4.513 1.00 54.14 H new ATOM 0 HB2 CYS A 62 4.418 5.959 -2.457 1.00 13.31 H new ATOM 0 HB3 CYS A 62 3.818 7.593 -2.660 1.00 13.31 H new ATOM 0 HG CYS A 62 2.835 7.703 -0.258 1.00 65.44 H new ATOM 956 N GLN A 63 2.435 3.808 -4.484 1.00 43.00 N ATOM 957 CA GLN A 63 2.079 2.374 -4.556 1.00 53.13 C ATOM 958 C GLN A 63 3.330 1.490 -4.405 1.00 51.23 C ATOM 959 O GLN A 63 4.254 1.547 -5.234 1.00 53.24 O ATOM 960 CB GLN A 63 1.335 2.043 -5.890 1.00 74.11 C ATOM 961 CG GLN A 63 0.965 0.550 -6.072 1.00 63.54 C ATOM 962 CD GLN A 63 0.188 0.257 -7.358 1.00 25.41 C ATOM 963 OE1 GLN A 63 -0.571 1.086 -7.854 1.00 14.24 O ATOM 964 NE2 GLN A 63 0.377 -0.924 -7.917 1.00 54.14 N ATOM 0 H GLN A 63 2.851 4.164 -5.345 1.00 43.00 H new ATOM 0 HA GLN A 63 1.403 2.159 -3.728 1.00 53.13 H new ATOM 0 HB2 GLN A 63 0.423 2.638 -5.939 1.00 74.11 H new ATOM 0 HB3 GLN A 63 1.962 2.352 -6.726 1.00 74.11 H new ATOM 0 HG2 GLN A 63 1.879 -0.044 -6.068 1.00 63.54 H new ATOM 0 HG3 GLN A 63 0.370 0.226 -5.218 1.00 63.54 H new ATOM 0 HE21 GLN A 63 1.012 -1.596 -7.487 1.00 54.14 H new ATOM 0 HE22 GLN A 63 -0.112 -1.164 -8.779 1.00 54.14 H new ATOM 973 N GLY A 64 3.342 0.696 -3.323 1.00 30.20 N ATOM 974 CA GLY A 64 4.343 -0.339 -3.099 1.00 21.04 C ATOM 975 C GLY A 64 3.904 -1.688 -3.632 1.00 72.13 C ATOM 976 O GLY A 64 2.764 -1.858 -4.074 1.00 24.14 O ATOM 0 H GLY A 64 2.649 0.761 -2.578 1.00 30.20 H new ATOM 0 HA2 GLY A 64 5.277 -0.048 -3.579 1.00 21.04 H new ATOM 0 HA3 GLY A 64 4.545 -0.421 -2.031 1.00 21.04 H new ATOM 980 N GLY A 65 4.826 -2.642 -3.587 1.00 10.34 N ATOM 981 CA GLY A 65 4.577 -4.000 -4.043 1.00 64.12 C ATOM 982 C GLY A 65 5.848 -4.815 -3.997 1.00 63.45 C ATOM 983 O GLY A 65 6.946 -4.273 -4.176 1.00 71.41 O ATOM 0 H GLY A 65 5.770 -2.493 -3.231 1.00 10.34 H new ATOM 0 HA2 GLY A 65 3.816 -4.466 -3.417 1.00 64.12 H new ATOM 0 HA3 GLY A 65 4.186 -3.982 -5.060 1.00 64.12 H new ATOM 987 N ASP A 66 5.704 -6.121 -3.787 1.00 43.33 N ATOM 988 CA ASP A 66 6.835 -7.014 -3.499 1.00 22.23 C ATOM 989 C ASP A 66 7.615 -7.418 -4.773 1.00 44.51 C ATOM 990 O ASP A 66 7.130 -7.276 -5.903 1.00 50.30 O ATOM 991 CB ASP A 66 6.335 -8.251 -2.711 1.00 63.02 C ATOM 992 CG ASP A 66 7.478 -9.177 -2.278 1.00 34.25 C ATOM 993 OD1 ASP A 66 8.365 -8.723 -1.521 1.00 22.12 O ATOM 994 OD2 ASP A 66 7.519 -10.329 -2.722 1.00 12.33 O ATOM 0 H ASP A 66 4.801 -6.595 -3.811 1.00 43.33 H new ATOM 0 HA ASP A 66 7.547 -6.467 -2.881 1.00 22.23 H new ATOM 0 HB2 ASP A 66 5.788 -7.918 -1.829 1.00 63.02 H new ATOM 0 HB3 ASP A 66 5.633 -8.811 -3.329 1.00 63.02 H new ATOM 999 N PHE A 67 8.849 -7.904 -4.549 1.00 61.35 N ATOM 1000 CA PHE A 67 9.792 -8.297 -5.596 1.00 54.03 C ATOM 1001 C PHE A 67 9.470 -9.703 -6.157 1.00 51.44 C ATOM 1002 O PHE A 67 9.561 -9.929 -7.372 1.00 43.44 O ATOM 1003 CB PHE A 67 11.234 -8.245 -5.008 1.00 60.32 C ATOM 1004 CG PHE A 67 12.349 -8.407 -6.040 1.00 51.44 C ATOM 1005 CD1 PHE A 67 12.801 -7.308 -6.775 1.00 21.40 C ATOM 1006 CD2 PHE A 67 12.944 -9.651 -6.279 1.00 63.43 C ATOM 1007 CE1 PHE A 67 13.807 -7.450 -7.712 1.00 73.30 C ATOM 1008 CE2 PHE A 67 13.945 -9.787 -7.214 1.00 53.20 C ATOM 1009 CZ PHE A 67 14.378 -8.689 -7.929 1.00 13.30 C ATOM 0 H PHE A 67 9.222 -8.035 -3.609 1.00 61.35 H new ATOM 0 HA PHE A 67 9.709 -7.603 -6.432 1.00 54.03 H new ATOM 0 HB2 PHE A 67 11.368 -7.293 -4.494 1.00 60.32 H new ATOM 0 HB3 PHE A 67 11.335 -9.029 -4.258 1.00 60.32 H new ATOM 0 HD1 PHE A 67 12.359 -6.337 -6.609 1.00 21.40 H new ATOM 0 HD2 PHE A 67 12.613 -10.516 -5.723 1.00 63.43 H new ATOM 0 HE1 PHE A 67 14.147 -6.593 -8.274 1.00 73.30 H new ATOM 0 HE2 PHE A 67 14.392 -10.754 -7.388 1.00 53.20 H new ATOM 0 HZ PHE A 67 15.165 -8.799 -8.660 1.00 13.30 H new ATOM 1019 N THR A 68 9.103 -10.628 -5.255 1.00 42.04 N ATOM 1020 CA THR A 68 8.909 -12.058 -5.577 1.00 64.14 C ATOM 1021 C THR A 68 7.790 -12.261 -6.626 1.00 4.35 C ATOM 1022 O THR A 68 6.612 -11.987 -6.346 1.00 3.13 O ATOM 1023 CB THR A 68 8.582 -12.867 -4.282 1.00 71.44 C ATOM 1024 OG1 THR A 68 9.566 -12.580 -3.269 1.00 45.40 O ATOM 1025 CG2 THR A 68 8.525 -14.381 -4.535 1.00 24.13 C ATOM 0 H THR A 68 8.931 -10.407 -4.274 1.00 42.04 H new ATOM 0 HA THR A 68 9.840 -12.427 -6.006 1.00 64.14 H new ATOM 0 HB THR A 68 7.593 -12.557 -3.945 1.00 71.44 H new ATOM 0 HG1 THR A 68 9.293 -11.786 -2.764 1.00 45.40 H new ATOM 0 HG21 THR A 68 8.294 -14.897 -3.603 1.00 24.13 H new ATOM 0 HG22 THR A 68 7.751 -14.598 -5.271 1.00 24.13 H new ATOM 0 HG23 THR A 68 9.489 -14.724 -4.911 1.00 24.13 H new ATOM 1033 N ARG A 69 8.199 -12.719 -7.829 1.00 43.25 N ATOM 1034 CA ARG A 69 7.311 -12.964 -8.987 1.00 55.42 C ATOM 1035 C ARG A 69 6.513 -11.699 -9.354 1.00 33.32 C ATOM 1036 O ARG A 69 5.327 -11.553 -9.007 1.00 3.14 O ATOM 1037 CB ARG A 69 6.372 -14.179 -8.747 1.00 50.42 C ATOM 1038 CG ARG A 69 5.584 -14.645 -9.996 1.00 72.21 C ATOM 1039 CD ARG A 69 4.612 -15.789 -9.684 1.00 74.43 C ATOM 1040 NE ARG A 69 5.291 -16.965 -9.110 1.00 73.43 N ATOM 1041 CZ ARG A 69 4.673 -18.034 -8.584 1.00 2.13 C ATOM 1042 NH1 ARG A 69 3.341 -18.111 -8.546 1.00 41.11 N ATOM 1043 NH2 ARG A 69 5.401 -19.025 -8.090 1.00 44.43 N ATOM 0 H ARG A 69 9.176 -12.933 -8.027 1.00 43.25 H new ATOM 0 HA ARG A 69 7.946 -13.214 -9.837 1.00 55.42 H new ATOM 0 HB2 ARG A 69 6.968 -15.014 -8.378 1.00 50.42 H new ATOM 0 HB3 ARG A 69 5.662 -13.922 -7.961 1.00 50.42 H new ATOM 0 HG2 ARG A 69 5.028 -13.802 -10.406 1.00 72.21 H new ATOM 0 HG3 ARG A 69 6.286 -14.968 -10.765 1.00 72.21 H new ATOM 0 HD2 ARG A 69 3.852 -15.436 -8.987 1.00 74.43 H new ATOM 0 HD3 ARG A 69 4.095 -16.082 -10.598 1.00 74.43 H new ATOM 0 HE ARG A 69 6.311 -16.966 -9.113 1.00 73.43 H new ATOM 0 HH11 ARG A 69 2.775 -17.349 -8.921 1.00 41.11 H new ATOM 0 HH12 ARG A 69 2.889 -18.931 -8.142 1.00 41.11 H new ATOM 0 HH21 ARG A 69 6.419 -18.970 -8.112 1.00 44.43 H new ATOM 0 HH22 ARG A 69 4.943 -19.843 -7.688 1.00 44.43 H new ATOM 1057 N HIS A 70 7.199 -10.765 -10.018 1.00 63.02 N ATOM 1058 CA HIS A 70 6.609 -9.488 -10.444 1.00 41.15 C ATOM 1059 C HIS A 70 5.763 -9.674 -11.724 1.00 50.02 C ATOM 1060 O HIS A 70 4.973 -8.790 -12.074 1.00 71.23 O ATOM 1061 CB HIS A 70 7.724 -8.425 -10.643 1.00 4.21 C ATOM 1062 CG HIS A 70 7.238 -6.993 -10.627 1.00 51.51 C ATOM 1063 ND1 HIS A 70 7.211 -6.232 -9.479 1.00 41.23 N ATOM 1064 CD2 HIS A 70 6.744 -6.198 -11.609 1.00 32.11 C ATOM 1065 CE1 HIS A 70 6.736 -5.038 -9.760 1.00 55.52 C ATOM 1066 NE2 HIS A 70 6.444 -4.993 -11.040 1.00 34.35 N ATOM 0 H HIS A 70 8.180 -10.871 -10.277 1.00 63.02 H new ATOM 0 HA HIS A 70 5.938 -9.131 -9.663 1.00 41.15 H new ATOM 0 HB2 HIS A 70 8.471 -8.550 -9.859 1.00 4.21 H new ATOM 0 HB3 HIS A 70 8.224 -8.615 -11.593 1.00 4.21 H new ATOM 0 HD2 HIS A 70 6.613 -6.467 -12.647 1.00 32.11 H new ATOM 0 HE1 HIS A 70 6.607 -4.229 -9.056 1.00 55.52 H new ATOM 0 HE2 HIS A 70 6.056 -4.187 -11.530 1.00 34.35 H new ATOM 1075 N ASN A 71 5.942 -10.838 -12.398 1.00 74.44 N ATOM 1076 CA ASN A 71 5.195 -11.216 -13.624 1.00 42.04 C ATOM 1077 C ASN A 71 3.671 -11.176 -13.370 1.00 11.30 C ATOM 1078 O ASN A 71 3.100 -12.126 -12.820 1.00 43.24 O ATOM 1079 CB ASN A 71 5.609 -12.634 -14.115 1.00 64.22 C ATOM 1080 CG ASN A 71 7.099 -12.770 -14.430 1.00 44.10 C ATOM 1081 OD1 ASN A 71 7.892 -13.126 -13.559 1.00 31.02 O ATOM 1082 ND2 ASN A 71 7.489 -12.495 -15.666 1.00 72.24 N ATOM 0 H ASN A 71 6.614 -11.546 -12.103 1.00 74.44 H new ATOM 0 HA ASN A 71 5.444 -10.492 -14.399 1.00 42.04 H new ATOM 0 HB2 ASN A 71 5.341 -13.365 -13.352 1.00 64.22 H new ATOM 0 HB3 ASN A 71 5.035 -12.881 -15.008 1.00 64.22 H new ATOM 0 HD21 ASN A 71 8.474 -12.576 -15.920 1.00 72.24 H new ATOM 0 HD22 ASN A 71 6.805 -12.202 -16.364 1.00 72.24 H new ATOM 1089 N GLY A 72 3.060 -10.013 -13.686 1.00 51.32 N ATOM 1090 CA GLY A 72 1.608 -9.815 -13.593 1.00 54.21 C ATOM 1091 C GLY A 72 1.054 -9.765 -12.166 1.00 61.13 C ATOM 1092 O GLY A 72 -0.170 -9.805 -11.982 1.00 73.53 O ATOM 0 H GLY A 72 3.565 -9.189 -14.012 1.00 51.32 H new ATOM 0 HA2 GLY A 72 1.350 -8.885 -14.100 1.00 54.21 H new ATOM 0 HA3 GLY A 72 1.111 -10.621 -14.132 1.00 54.21 H new ATOM 1096 N THR A 73 1.941 -9.670 -11.152 1.00 32.43 N ATOM 1097 CA THR A 73 1.526 -9.645 -9.733 1.00 51.34 C ATOM 1098 C THR A 73 2.431 -8.684 -8.915 1.00 24.35 C ATOM 1099 O THR A 73 2.076 -7.508 -8.729 1.00 53.34 O ATOM 1100 CB THR A 73 1.526 -11.093 -9.105 1.00 63.34 C ATOM 1101 OG1 THR A 73 0.806 -12.016 -9.946 1.00 60.31 O ATOM 1102 CG2 THR A 73 0.886 -11.109 -7.704 1.00 12.54 C ATOM 0 H THR A 73 2.950 -9.609 -11.290 1.00 32.43 H new ATOM 0 HA THR A 73 0.503 -9.271 -9.691 1.00 51.34 H new ATOM 0 HB THR A 73 2.569 -11.397 -9.023 1.00 63.34 H new ATOM 0 HG1 THR A 73 0.819 -12.908 -9.540 1.00 60.31 H new ATOM 0 HG21 THR A 73 0.906 -12.124 -7.307 1.00 12.54 H new ATOM 0 HG22 THR A 73 1.445 -10.449 -7.041 1.00 12.54 H new ATOM 0 HG23 THR A 73 -0.146 -10.766 -7.772 1.00 12.54 H new ATOM 1110 N GLY A 74 3.610 -9.186 -8.468 1.00 63.35 N ATOM 1111 CA GLY A 74 4.539 -8.420 -7.630 1.00 53.41 C ATOM 1112 C GLY A 74 3.961 -8.068 -6.262 1.00 21.40 C ATOM 1113 O GLY A 74 3.867 -6.888 -5.919 1.00 63.21 O ATOM 0 H GLY A 74 3.933 -10.129 -8.683 1.00 63.35 H new ATOM 0 HA2 GLY A 74 5.455 -8.995 -7.494 1.00 53.41 H new ATOM 0 HA3 GLY A 74 4.814 -7.502 -8.149 1.00 53.41 H new ATOM 1117 N GLY A 75 3.583 -9.096 -5.472 1.00 43.20 N ATOM 1118 CA GLY A 75 2.936 -8.876 -4.168 1.00 30.12 C ATOM 1119 C GLY A 75 1.731 -9.773 -3.960 1.00 33.21 C ATOM 1120 O GLY A 75 0.664 -9.295 -3.580 1.00 2.54 O ATOM 0 H GLY A 75 3.715 -10.078 -5.715 1.00 43.20 H new ATOM 0 HA2 GLY A 75 3.659 -9.054 -3.372 1.00 30.12 H new ATOM 0 HA3 GLY A 75 2.627 -7.834 -4.090 1.00 30.12 H new ATOM 1124 N LYS A 76 1.915 -11.083 -4.219 1.00 25.44 N ATOM 1125 CA LYS A 76 0.844 -12.103 -4.099 1.00 71.12 C ATOM 1126 C LYS A 76 0.383 -12.271 -2.628 1.00 75.04 C ATOM 1127 O LYS A 76 1.120 -11.932 -1.696 1.00 54.23 O ATOM 1128 CB LYS A 76 1.326 -13.447 -4.718 1.00 13.24 C ATOM 1129 CG LYS A 76 2.637 -14.003 -4.120 1.00 72.35 C ATOM 1130 CD LYS A 76 3.156 -15.281 -4.820 1.00 21.31 C ATOM 1131 CE LYS A 76 2.135 -16.433 -4.802 1.00 73.20 C ATOM 1132 NZ LYS A 76 1.637 -16.731 -3.429 1.00 34.53 N ATOM 0 H LYS A 76 2.811 -11.468 -4.518 1.00 25.44 H new ATOM 0 HA LYS A 76 -0.029 -11.765 -4.658 1.00 71.12 H new ATOM 0 HB2 LYS A 76 0.540 -14.192 -4.590 1.00 13.24 H new ATOM 0 HB3 LYS A 76 1.463 -13.308 -5.790 1.00 13.24 H new ATOM 0 HG2 LYS A 76 3.406 -13.232 -4.177 1.00 72.35 H new ATOM 0 HG3 LYS A 76 2.479 -14.219 -3.063 1.00 72.35 H new ATOM 0 HD2 LYS A 76 3.411 -15.045 -5.853 1.00 21.31 H new ATOM 0 HD3 LYS A 76 4.074 -15.609 -4.332 1.00 21.31 H new ATOM 0 HE2 LYS A 76 1.292 -16.177 -5.444 1.00 73.20 H new ATOM 0 HE3 LYS A 76 2.594 -17.328 -5.221 1.00 73.20 H new ATOM 0 HZ1 LYS A 76 1.522 -17.759 -3.317 1.00 34.53 H new ATOM 0 HZ2 LYS A 76 2.321 -16.381 -2.728 1.00 34.53 H new ATOM 0 HZ3 LYS A 76 0.720 -16.262 -3.283 1.00 34.53 H new ATOM 1146 N SER A 77 -0.823 -12.828 -2.435 1.00 51.10 N ATOM 1147 CA SER A 77 -1.561 -12.728 -1.155 1.00 64.01 C ATOM 1148 C SER A 77 -1.547 -14.046 -0.357 1.00 41.03 C ATOM 1149 O SER A 77 -0.891 -15.023 -0.748 1.00 4.14 O ATOM 1150 CB SER A 77 -3.009 -12.289 -1.456 1.00 65.44 C ATOM 1151 OG SER A 77 -3.667 -13.219 -2.301 1.00 4.32 O ATOM 0 H SER A 77 -1.316 -13.358 -3.154 1.00 51.10 H new ATOM 0 HA SER A 77 -1.062 -11.989 -0.528 1.00 64.01 H new ATOM 0 HB2 SER A 77 -3.562 -12.189 -0.522 1.00 65.44 H new ATOM 0 HB3 SER A 77 -3.002 -11.307 -1.929 1.00 65.44 H new ATOM 0 HG SER A 77 -4.481 -13.542 -1.861 1.00 4.32 H new ATOM 1157 N ILE A 78 -2.284 -14.049 0.784 1.00 14.32 N ATOM 1158 CA ILE A 78 -2.452 -15.240 1.636 1.00 4.33 C ATOM 1159 C ILE A 78 -3.339 -16.289 0.956 1.00 65.34 C ATOM 1160 O ILE A 78 -3.256 -17.481 1.270 1.00 1.22 O ATOM 1161 CB ILE A 78 -3.007 -14.890 3.070 1.00 33.51 C ATOM 1162 CG1 ILE A 78 -4.435 -14.260 3.007 1.00 32.32 C ATOM 1163 CG2 ILE A 78 -2.018 -13.964 3.820 1.00 60.32 C ATOM 1164 CD1 ILE A 78 -5.087 -14.013 4.364 1.00 33.31 C ATOM 0 H ILE A 78 -2.774 -13.225 1.132 1.00 14.32 H new ATOM 0 HA ILE A 78 -1.456 -15.661 1.773 1.00 4.33 H new ATOM 0 HB ILE A 78 -3.098 -15.823 3.627 1.00 33.51 H new ATOM 0 HG12 ILE A 78 -4.375 -13.313 2.471 1.00 32.32 H new ATOM 0 HG13 ILE A 78 -5.081 -14.916 2.424 1.00 32.32 H new ATOM 0 HG21 ILE A 78 -2.415 -13.731 4.808 1.00 60.32 H new ATOM 0 HG22 ILE A 78 -1.057 -14.467 3.925 1.00 60.32 H new ATOM 0 HG23 ILE A 78 -1.885 -13.041 3.256 1.00 60.32 H new ATOM 0 HD11 ILE A 78 -6.074 -13.574 4.219 1.00 33.31 H new ATOM 0 HD12 ILE A 78 -5.185 -14.958 4.898 1.00 33.31 H new ATOM 0 HD13 ILE A 78 -4.468 -13.330 4.946 1.00 33.31 H new ATOM 1176 N TYR A 79 -4.150 -15.840 -0.019 1.00 31.35 N ATOM 1177 CA TYR A 79 -4.970 -16.718 -0.874 1.00 10.42 C ATOM 1178 C TYR A 79 -4.155 -17.149 -2.112 1.00 41.10 C ATOM 1179 O TYR A 79 -4.713 -17.368 -3.201 1.00 30.54 O ATOM 1180 CB TYR A 79 -6.270 -15.972 -1.275 1.00 34.41 C ATOM 1181 CG TYR A 79 -7.162 -15.630 -0.074 1.00 30.44 C ATOM 1182 CD1 TYR A 79 -8.083 -16.552 0.427 1.00 32.51 C ATOM 1183 CD2 TYR A 79 -7.075 -14.391 0.563 1.00 12.51 C ATOM 1184 CE1 TYR A 79 -8.876 -16.249 1.516 1.00 12.44 C ATOM 1185 CE2 TYR A 79 -7.867 -14.084 1.649 1.00 52.34 C ATOM 1186 CZ TYR A 79 -8.766 -15.013 2.121 1.00 22.15 C ATOM 1187 OH TYR A 79 -9.554 -14.711 3.206 1.00 1.50 O ATOM 0 H TYR A 79 -4.256 -14.849 -0.238 1.00 31.35 H new ATOM 0 HA TYR A 79 -5.249 -17.620 -0.330 1.00 10.42 H new ATOM 0 HB2 TYR A 79 -6.008 -15.053 -1.799 1.00 34.41 H new ATOM 0 HB3 TYR A 79 -6.834 -16.588 -1.975 1.00 34.41 H new ATOM 0 HD1 TYR A 79 -8.177 -17.519 -0.045 1.00 32.51 H new ATOM 0 HD2 TYR A 79 -6.372 -13.657 0.197 1.00 12.51 H new ATOM 0 HE1 TYR A 79 -9.580 -16.976 1.893 1.00 12.44 H new ATOM 0 HE2 TYR A 79 -7.782 -13.119 2.127 1.00 52.34 H new ATOM 0 HH TYR A 79 -8.994 -14.358 3.929 1.00 1.50 H new ATOM 1197 N GLY A 80 -2.830 -17.314 -1.905 1.00 23.34 N ATOM 1198 CA GLY A 80 -1.893 -17.649 -2.960 1.00 23.45 C ATOM 1199 C GLY A 80 -1.692 -16.491 -3.916 1.00 74.03 C ATOM 1200 O GLY A 80 -0.955 -15.543 -3.614 1.00 22.41 O ATOM 0 H GLY A 80 -2.394 -17.214 -0.988 1.00 23.34 H new ATOM 0 HA2 GLY A 80 -0.935 -17.930 -2.521 1.00 23.45 H new ATOM 0 HA3 GLY A 80 -2.258 -18.516 -3.510 1.00 23.45 H new ATOM 1204 N GLU A 81 -2.390 -16.562 -5.044 1.00 20.21 N ATOM 1205 CA GLU A 81 -2.287 -15.590 -6.130 1.00 52.40 C ATOM 1206 C GLU A 81 -2.969 -14.261 -5.738 1.00 63.44 C ATOM 1207 O GLU A 81 -2.300 -13.226 -5.626 1.00 2.13 O ATOM 1208 CB GLU A 81 -2.936 -16.216 -7.391 1.00 52.21 C ATOM 1209 CG GLU A 81 -2.833 -15.392 -8.686 1.00 14.33 C ATOM 1210 CD GLU A 81 -3.538 -16.089 -9.861 1.00 2.44 C ATOM 1211 OE1 GLU A 81 -4.782 -16.185 -9.829 1.00 62.43 O ATOM 1212 OE2 GLU A 81 -2.866 -16.565 -10.801 1.00 34.42 O ATOM 0 H GLU A 81 -3.056 -17.310 -5.234 1.00 20.21 H new ATOM 0 HA GLU A 81 -1.243 -15.356 -6.336 1.00 52.40 H new ATOM 0 HB2 GLU A 81 -2.477 -17.189 -7.566 1.00 52.21 H new ATOM 0 HB3 GLU A 81 -3.991 -16.395 -7.181 1.00 52.21 H new ATOM 0 HG2 GLU A 81 -3.276 -14.409 -8.528 1.00 14.33 H new ATOM 0 HG3 GLU A 81 -1.783 -15.233 -8.934 1.00 14.33 H new ATOM 1219 N LYS A 82 -4.290 -14.326 -5.448 1.00 64.14 N ATOM 1220 CA LYS A 82 -5.140 -13.125 -5.271 1.00 14.12 C ATOM 1221 C LYS A 82 -6.521 -13.500 -4.689 1.00 5.51 C ATOM 1222 O LYS A 82 -6.818 -14.683 -4.490 1.00 51.12 O ATOM 1223 CB LYS A 82 -5.285 -12.390 -6.634 1.00 42.14 C ATOM 1224 CG LYS A 82 -5.892 -13.259 -7.759 1.00 1.32 C ATOM 1225 CD LYS A 82 -5.704 -12.635 -9.155 1.00 61.30 C ATOM 1226 CE LYS A 82 -6.461 -13.381 -10.260 1.00 51.03 C ATOM 1227 NZ LYS A 82 -7.930 -13.403 -10.024 1.00 3.24 N ATOM 0 H LYS A 82 -4.793 -15.205 -5.331 1.00 64.14 H new ATOM 0 HA LYS A 82 -4.662 -12.455 -4.556 1.00 14.12 H new ATOM 0 HB2 LYS A 82 -5.910 -11.508 -6.494 1.00 42.14 H new ATOM 0 HB3 LYS A 82 -4.303 -12.038 -6.951 1.00 42.14 H new ATOM 0 HG2 LYS A 82 -5.429 -14.246 -7.741 1.00 1.32 H new ATOM 0 HG3 LYS A 82 -6.956 -13.402 -7.569 1.00 1.32 H new ATOM 0 HD2 LYS A 82 -6.040 -11.598 -9.130 1.00 61.30 H new ATOM 0 HD3 LYS A 82 -4.642 -12.620 -9.398 1.00 61.30 H new ATOM 0 HE2 LYS A 82 -6.257 -12.907 -11.220 1.00 51.03 H new ATOM 0 HE3 LYS A 82 -6.090 -14.404 -10.324 1.00 51.03 H new ATOM 0 HZ1 LYS A 82 -8.231 -14.372 -9.797 1.00 3.24 H new ATOM 0 HZ2 LYS A 82 -8.163 -12.774 -9.230 1.00 3.24 H new ATOM 0 HZ3 LYS A 82 -8.424 -13.078 -10.880 1.00 3.24 H new ATOM 1241 N PHE A 83 -7.356 -12.472 -4.436 1.00 25.41 N ATOM 1242 CA PHE A 83 -8.697 -12.620 -3.832 1.00 42.34 C ATOM 1243 C PHE A 83 -9.604 -11.425 -4.206 1.00 72.11 C ATOM 1244 O PHE A 83 -9.164 -10.482 -4.871 1.00 41.20 O ATOM 1245 CB PHE A 83 -8.601 -12.785 -2.286 1.00 54.24 C ATOM 1246 CG PHE A 83 -7.998 -11.596 -1.521 1.00 40.25 C ATOM 1247 CD1 PHE A 83 -6.624 -11.469 -1.363 1.00 45.02 C ATOM 1248 CD2 PHE A 83 -8.810 -10.619 -0.941 1.00 30.23 C ATOM 1249 CE1 PHE A 83 -6.087 -10.414 -0.655 1.00 0.11 C ATOM 1250 CE2 PHE A 83 -8.271 -9.560 -0.238 1.00 5.51 C ATOM 1251 CZ PHE A 83 -6.907 -9.458 -0.094 1.00 52.22 C ATOM 0 H PHE A 83 -7.116 -11.504 -4.648 1.00 25.41 H new ATOM 0 HA PHE A 83 -9.148 -13.526 -4.236 1.00 42.34 H new ATOM 0 HB2 PHE A 83 -9.602 -12.973 -1.897 1.00 54.24 H new ATOM 0 HB3 PHE A 83 -8.004 -13.671 -2.071 1.00 54.24 H new ATOM 0 HD1 PHE A 83 -5.967 -12.206 -1.800 1.00 45.02 H new ATOM 0 HD2 PHE A 83 -9.882 -10.693 -1.045 1.00 30.23 H new ATOM 0 HE1 PHE A 83 -5.016 -10.336 -0.539 1.00 0.11 H new ATOM 0 HE2 PHE A 83 -8.919 -8.814 0.198 1.00 5.51 H new ATOM 0 HZ PHE A 83 -6.480 -8.633 0.456 1.00 52.22 H new ATOM 1261 N GLU A 84 -10.888 -11.495 -3.802 1.00 31.41 N ATOM 1262 CA GLU A 84 -11.870 -10.409 -4.027 1.00 31.31 C ATOM 1263 C GLU A 84 -12.102 -9.604 -2.737 1.00 2.34 C ATOM 1264 O GLU A 84 -11.787 -10.067 -1.635 1.00 2.24 O ATOM 1265 CB GLU A 84 -13.215 -10.978 -4.555 1.00 63.23 C ATOM 1266 CG GLU A 84 -13.959 -11.919 -3.589 1.00 33.22 C ATOM 1267 CD GLU A 84 -15.343 -12.339 -4.121 1.00 71.35 C ATOM 1268 OE1 GLU A 84 -16.248 -11.475 -4.163 1.00 63.13 O ATOM 1269 OE2 GLU A 84 -15.526 -13.512 -4.516 1.00 30.33 O ATOM 0 H GLU A 84 -11.275 -12.302 -3.312 1.00 31.41 H new ATOM 0 HA GLU A 84 -11.459 -9.740 -4.783 1.00 31.31 H new ATOM 0 HB2 GLU A 84 -13.872 -10.143 -4.800 1.00 63.23 H new ATOM 0 HB3 GLU A 84 -13.023 -11.516 -5.483 1.00 63.23 H new ATOM 0 HG2 GLU A 84 -13.354 -12.809 -3.417 1.00 33.22 H new ATOM 0 HG3 GLU A 84 -14.079 -11.424 -2.625 1.00 33.22 H new ATOM 1276 N ASP A 85 -12.682 -8.400 -2.897 1.00 64.40 N ATOM 1277 CA ASP A 85 -12.983 -7.487 -1.775 1.00 74.31 C ATOM 1278 C ASP A 85 -14.029 -8.093 -0.829 1.00 2.34 C ATOM 1279 O ASP A 85 -15.079 -8.558 -1.283 1.00 5.31 O ATOM 1280 CB ASP A 85 -13.491 -6.130 -2.315 1.00 71.44 C ATOM 1281 CG ASP A 85 -12.391 -5.298 -2.985 1.00 21.13 C ATOM 1282 OD1 ASP A 85 -11.376 -5.017 -2.321 1.00 62.43 O ATOM 1283 OD2 ASP A 85 -12.553 -4.890 -4.151 1.00 14.34 O ATOM 0 H ASP A 85 -12.956 -8.031 -3.808 1.00 64.40 H new ATOM 0 HA ASP A 85 -12.062 -7.333 -1.213 1.00 74.31 H new ATOM 0 HB2 ASP A 85 -14.291 -6.308 -3.033 1.00 71.44 H new ATOM 0 HB3 ASP A 85 -13.922 -5.557 -1.494 1.00 71.44 H new ATOM 1288 N GLU A 86 -13.730 -8.072 0.485 1.00 33.20 N ATOM 1289 CA GLU A 86 -14.619 -8.637 1.516 1.00 33.31 C ATOM 1290 C GLU A 86 -15.906 -7.796 1.662 1.00 4.01 C ATOM 1291 O GLU A 86 -17.005 -8.284 1.374 1.00 72.13 O ATOM 1292 CB GLU A 86 -13.862 -8.752 2.877 1.00 0.04 C ATOM 1293 CG GLU A 86 -14.716 -9.219 4.093 1.00 43.42 C ATOM 1294 CD GLU A 86 -15.397 -10.590 3.902 1.00 13.44 C ATOM 1295 OE1 GLU A 86 -16.531 -10.652 3.372 1.00 51.32 O ATOM 1296 OE2 GLU A 86 -14.803 -11.618 4.282 1.00 41.02 O ATOM 0 H GLU A 86 -12.872 -7.666 0.858 1.00 33.20 H new ATOM 0 HA GLU A 86 -14.917 -9.638 1.204 1.00 33.31 H new ATOM 0 HB2 GLU A 86 -13.033 -9.448 2.752 1.00 0.04 H new ATOM 0 HB3 GLU A 86 -13.429 -7.780 3.113 1.00 0.04 H new ATOM 0 HG2 GLU A 86 -14.077 -9.264 4.975 1.00 43.42 H new ATOM 0 HG3 GLU A 86 -15.483 -8.470 4.292 1.00 43.42 H new ATOM 1303 N ASN A 87 -15.749 -6.518 2.040 1.00 43.31 N ATOM 1304 CA ASN A 87 -16.881 -5.637 2.391 1.00 72.15 C ATOM 1305 C ASN A 87 -16.451 -4.161 2.322 1.00 11.21 C ATOM 1306 O ASN A 87 -15.455 -3.770 2.940 1.00 75.12 O ATOM 1307 CB ASN A 87 -17.450 -6.006 3.799 1.00 62.34 C ATOM 1308 CG ASN A 87 -16.433 -5.947 4.953 1.00 13.31 C ATOM 1309 OD1 ASN A 87 -15.225 -6.069 4.757 1.00 2.33 O ATOM 1310 ND2 ASN A 87 -16.922 -5.815 6.173 1.00 44.31 N ATOM 0 H ASN A 87 -14.838 -6.064 2.112 1.00 43.31 H new ATOM 0 HA ASN A 87 -17.681 -5.785 1.666 1.00 72.15 H new ATOM 0 HB2 ASN A 87 -18.275 -5.331 4.028 1.00 62.34 H new ATOM 0 HB3 ASN A 87 -17.865 -7.013 3.753 1.00 62.34 H new ATOM 0 HD21 ASN A 87 -16.294 -5.813 6.977 1.00 44.31 H new ATOM 0 HD22 ASN A 87 -17.928 -5.715 6.311 1.00 44.31 H new ATOM 1317 N PHE A 88 -17.221 -3.342 1.581 1.00 14.41 N ATOM 1318 CA PHE A 88 -16.855 -1.947 1.267 1.00 1.23 C ATOM 1319 C PHE A 88 -17.369 -1.002 2.369 1.00 52.33 C ATOM 1320 O PHE A 88 -18.386 -0.315 2.210 1.00 72.42 O ATOM 1321 CB PHE A 88 -17.416 -1.527 -0.126 1.00 44.11 C ATOM 1322 CG PHE A 88 -16.953 -2.390 -1.305 1.00 22.41 C ATOM 1323 CD1 PHE A 88 -15.760 -2.110 -1.974 1.00 74.15 C ATOM 1324 CD2 PHE A 88 -17.713 -3.475 -1.748 1.00 24.14 C ATOM 1325 CE1 PHE A 88 -15.346 -2.887 -3.041 1.00 32.34 C ATOM 1326 CE2 PHE A 88 -17.296 -4.248 -2.814 1.00 24.43 C ATOM 1327 CZ PHE A 88 -16.114 -3.955 -3.459 1.00 65.15 C ATOM 0 H PHE A 88 -18.115 -3.629 1.183 1.00 14.41 H new ATOM 0 HA PHE A 88 -15.768 -1.875 1.227 1.00 1.23 H new ATOM 0 HB2 PHE A 88 -18.505 -1.553 -0.084 1.00 44.11 H new ATOM 0 HB3 PHE A 88 -17.129 -0.493 -0.319 1.00 44.11 H new ATOM 0 HD1 PHE A 88 -15.153 -1.276 -1.654 1.00 74.15 H new ATOM 0 HD2 PHE A 88 -18.641 -3.713 -1.249 1.00 24.14 H new ATOM 0 HE1 PHE A 88 -14.420 -2.658 -3.548 1.00 32.34 H new ATOM 0 HE2 PHE A 88 -17.897 -5.083 -3.142 1.00 24.43 H new ATOM 0 HZ PHE A 88 -15.789 -4.561 -4.292 1.00 65.15 H new ATOM 1337 N ILE A 89 -16.688 -1.043 3.517 1.00 42.31 N ATOM 1338 CA ILE A 89 -16.929 -0.124 4.641 1.00 43.12 C ATOM 1339 C ILE A 89 -16.053 1.128 4.461 1.00 63.12 C ATOM 1340 O ILE A 89 -16.548 2.256 4.324 1.00 33.54 O ATOM 1341 CB ILE A 89 -16.600 -0.821 6.019 1.00 70.12 C ATOM 1342 CG1 ILE A 89 -17.458 -2.116 6.201 1.00 32.52 C ATOM 1343 CG2 ILE A 89 -16.786 0.154 7.212 1.00 43.35 C ATOM 1344 CD1 ILE A 89 -17.180 -2.886 7.484 1.00 1.23 C ATOM 0 H ILE A 89 -15.946 -1.720 3.698 1.00 42.31 H new ATOM 0 HA ILE A 89 -17.982 0.158 4.650 1.00 43.12 H new ATOM 0 HB ILE A 89 -15.549 -1.111 6.004 1.00 70.12 H new ATOM 0 HG12 ILE A 89 -18.513 -1.843 6.178 1.00 32.52 H new ATOM 0 HG13 ILE A 89 -17.281 -2.776 5.351 1.00 32.52 H new ATOM 0 HG21 ILE A 89 -16.550 -0.361 8.143 1.00 43.35 H new ATOM 0 HG22 ILE A 89 -16.120 1.008 7.091 1.00 43.35 H new ATOM 0 HG23 ILE A 89 -17.819 0.501 7.241 1.00 43.35 H new ATOM 0 HD11 ILE A 89 -17.820 -3.768 7.525 1.00 1.23 H new ATOM 0 HD12 ILE A 89 -16.135 -3.195 7.504 1.00 1.23 H new ATOM 0 HD13 ILE A 89 -17.386 -2.248 8.343 1.00 1.23 H new ATOM 1356 N LEU A 90 -14.737 0.882 4.431 1.00 42.34 N ATOM 1357 CA LEU A 90 -13.712 1.924 4.416 1.00 60.54 C ATOM 1358 C LEU A 90 -13.450 2.398 2.975 1.00 12.12 C ATOM 1359 O LEU A 90 -13.245 1.583 2.062 1.00 30.50 O ATOM 1360 CB LEU A 90 -12.427 1.364 5.062 1.00 22.21 C ATOM 1361 CG LEU A 90 -12.579 0.815 6.517 1.00 25.43 C ATOM 1362 CD1 LEU A 90 -11.286 0.133 6.993 1.00 40.32 C ATOM 1363 CD2 LEU A 90 -13.021 1.931 7.492 1.00 4.42 C ATOM 0 H LEU A 90 -14.352 -0.063 4.416 1.00 42.34 H new ATOM 0 HA LEU A 90 -14.051 2.788 4.987 1.00 60.54 H new ATOM 0 HB2 LEU A 90 -12.045 0.562 4.430 1.00 22.21 H new ATOM 0 HB3 LEU A 90 -11.673 2.152 5.068 1.00 22.21 H new ATOM 0 HG LEU A 90 -13.363 0.058 6.506 1.00 25.43 H new ATOM 0 HD11 LEU A 90 -11.423 -0.239 8.009 1.00 40.32 H new ATOM 0 HD12 LEU A 90 -11.049 -0.700 6.331 1.00 40.32 H new ATOM 0 HD13 LEU A 90 -10.468 0.853 6.978 1.00 40.32 H new ATOM 0 HD21 LEU A 90 -13.118 1.519 8.496 1.00 4.42 H new ATOM 0 HD22 LEU A 90 -12.276 2.726 7.497 1.00 4.42 H new ATOM 0 HD23 LEU A 90 -13.981 2.335 7.171 1.00 4.42 H new ATOM 1375 N LYS A 91 -13.454 3.726 2.803 1.00 70.34 N ATOM 1376 CA LYS A 91 -13.343 4.407 1.505 1.00 62.25 C ATOM 1377 C LYS A 91 -12.131 5.352 1.524 1.00 3.50 C ATOM 1378 O LYS A 91 -11.563 5.642 2.584 1.00 23.42 O ATOM 1379 CB LYS A 91 -14.652 5.191 1.212 1.00 62.11 C ATOM 1380 CG LYS A 91 -15.926 4.305 1.141 1.00 75.23 C ATOM 1381 CD LYS A 91 -17.239 5.121 1.115 1.00 61.45 C ATOM 1382 CE LYS A 91 -17.469 5.928 2.405 1.00 63.43 C ATOM 1383 NZ LYS A 91 -17.545 5.048 3.606 1.00 33.44 N ATOM 0 H LYS A 91 -13.537 4.376 3.585 1.00 70.34 H new ATOM 0 HA LYS A 91 -13.198 3.672 0.713 1.00 62.25 H new ATOM 0 HB2 LYS A 91 -14.791 5.945 1.987 1.00 62.11 H new ATOM 0 HB3 LYS A 91 -14.540 5.722 0.267 1.00 62.11 H new ATOM 0 HG2 LYS A 91 -15.877 3.681 0.249 1.00 75.23 H new ATOM 0 HG3 LYS A 91 -15.941 3.633 1.999 1.00 75.23 H new ATOM 0 HD2 LYS A 91 -17.220 5.803 0.265 1.00 61.45 H new ATOM 0 HD3 LYS A 91 -18.079 4.443 0.962 1.00 61.45 H new ATOM 0 HE2 LYS A 91 -16.660 6.647 2.532 1.00 63.43 H new ATOM 0 HE3 LYS A 91 -18.392 6.500 2.315 1.00 63.43 H new ATOM 0 HZ1 LYS A 91 -18.394 5.286 4.158 1.00 33.44 H new ATOM 0 HZ2 LYS A 91 -17.595 4.054 3.305 1.00 33.44 H new ATOM 0 HZ3 LYS A 91 -16.699 5.189 4.194 1.00 33.44 H new ATOM 1397 N HIS A 92 -11.778 5.863 0.341 1.00 23.43 N ATOM 1398 CA HIS A 92 -10.533 6.631 0.109 1.00 30.24 C ATOM 1399 C HIS A 92 -10.778 8.147 0.297 1.00 35.01 C ATOM 1400 O HIS A 92 -10.159 8.988 -0.374 1.00 20.55 O ATOM 1401 CB HIS A 92 -10.025 6.327 -1.318 1.00 41.10 C ATOM 1402 CG HIS A 92 -9.843 4.871 -1.647 1.00 20.21 C ATOM 1403 ND1 HIS A 92 -8.614 4.298 -1.861 1.00 72.11 N ATOM 1404 CD2 HIS A 92 -10.750 3.876 -1.822 1.00 31.30 C ATOM 1405 CE1 HIS A 92 -8.773 3.026 -2.151 1.00 43.32 C ATOM 1406 NE2 HIS A 92 -10.057 2.743 -2.135 1.00 12.04 N ATOM 0 H HIS A 92 -12.349 5.759 -0.497 1.00 23.43 H new ATOM 0 HA HIS A 92 -9.778 6.333 0.836 1.00 30.24 H new ATOM 0 HB2 HIS A 92 -10.726 6.758 -2.033 1.00 41.10 H new ATOM 0 HB3 HIS A 92 -9.071 6.835 -1.461 1.00 41.10 H new ATOM 0 HD1 HIS A 92 -7.719 4.783 -1.804 1.00 72.11 H new ATOM 0 HD2 HIS A 92 -11.822 3.965 -1.730 1.00 31.30 H new ATOM 0 HE1 HIS A 92 -7.979 2.327 -2.367 1.00 43.32 H new ATOM 1415 N THR A 93 -11.631 8.468 1.278 1.00 75.51 N ATOM 1416 CA THR A 93 -12.158 9.824 1.512 1.00 43.34 C ATOM 1417 C THR A 93 -11.066 10.799 1.988 1.00 11.13 C ATOM 1418 O THR A 93 -11.190 12.010 1.799 1.00 62.55 O ATOM 1419 CB THR A 93 -13.293 9.767 2.586 1.00 51.33 C ATOM 1420 OG1 THR A 93 -12.752 9.271 3.820 1.00 64.13 O ATOM 1421 CG2 THR A 93 -14.452 8.855 2.154 1.00 2.12 C ATOM 0 H THR A 93 -11.983 7.781 1.945 1.00 75.51 H new ATOM 0 HA THR A 93 -12.545 10.191 0.562 1.00 43.34 H new ATOM 0 HB THR A 93 -13.683 10.777 2.707 1.00 51.33 H new ATOM 0 HG1 THR A 93 -13.460 9.235 4.497 1.00 64.13 H new ATOM 0 HG21 THR A 93 -15.217 8.846 2.931 1.00 2.12 H new ATOM 0 HG22 THR A 93 -14.882 9.229 1.225 1.00 2.12 H new ATOM 0 HG23 THR A 93 -14.080 7.842 2.000 1.00 2.12 H new ATOM 1429 N GLY A 94 -10.015 10.257 2.627 1.00 72.31 N ATOM 1430 CA GLY A 94 -8.930 11.064 3.192 1.00 52.41 C ATOM 1431 C GLY A 94 -7.548 10.658 2.681 1.00 41.12 C ATOM 1432 O GLY A 94 -7.435 9.723 1.882 1.00 4.43 O ATOM 0 H GLY A 94 -9.898 9.253 2.764 1.00 72.31 H new ATOM 0 HA2 GLY A 94 -9.104 12.113 2.954 1.00 52.41 H new ATOM 0 HA3 GLY A 94 -8.949 10.976 4.278 1.00 52.41 H new ATOM 1436 N PRO A 95 -6.474 11.407 3.075 1.00 21.44 N ATOM 1437 CA PRO A 95 -5.072 10.994 2.840 1.00 32.01 C ATOM 1438 C PRO A 95 -4.598 9.968 3.904 1.00 44.52 C ATOM 1439 O PRO A 95 -5.171 9.880 5.001 1.00 3.31 O ATOM 1440 CB PRO A 95 -4.309 12.338 2.944 1.00 13.02 C ATOM 1441 CG PRO A 95 -5.092 13.137 3.948 1.00 12.04 C ATOM 1442 CD PRO A 95 -6.548 12.735 3.757 1.00 53.41 C ATOM 0 HA PRO A 95 -4.916 10.487 1.888 1.00 32.01 H new ATOM 0 HB2 PRO A 95 -3.281 12.187 3.272 1.00 13.02 H new ATOM 0 HB3 PRO A 95 -4.265 12.845 1.980 1.00 13.02 H new ATOM 0 HG2 PRO A 95 -4.758 12.924 4.963 1.00 12.04 H new ATOM 0 HG3 PRO A 95 -4.958 14.207 3.786 1.00 12.04 H new ATOM 0 HD2 PRO A 95 -7.070 12.664 4.711 1.00 53.41 H new ATOM 0 HD3 PRO A 95 -7.087 13.464 3.152 1.00 53.41 H new ATOM 1450 N GLY A 96 -3.564 9.184 3.555 1.00 20.50 N ATOM 1451 CA GLY A 96 -3.037 8.123 4.428 1.00 34.40 C ATOM 1452 C GLY A 96 -3.726 6.779 4.214 1.00 33.30 C ATOM 1453 O GLY A 96 -3.367 5.787 4.847 1.00 24.41 O ATOM 0 H GLY A 96 -3.073 9.267 2.665 1.00 20.50 H new ATOM 0 HA2 GLY A 96 -1.968 8.010 4.248 1.00 34.40 H new ATOM 0 HA3 GLY A 96 -3.155 8.424 5.469 1.00 34.40 H new ATOM 1457 N ILE A 97 -4.700 6.755 3.296 1.00 55.30 N ATOM 1458 CA ILE A 97 -5.525 5.574 3.002 1.00 32.15 C ATOM 1459 C ILE A 97 -4.685 4.441 2.360 1.00 11.22 C ATOM 1460 O ILE A 97 -4.179 4.590 1.254 1.00 54.10 O ATOM 1461 CB ILE A 97 -6.738 6.005 2.073 1.00 1.12 C ATOM 1462 CG1 ILE A 97 -7.833 6.767 2.899 1.00 24.25 C ATOM 1463 CG2 ILE A 97 -7.344 4.825 1.287 1.00 60.32 C ATOM 1464 CD1 ILE A 97 -8.468 5.970 4.033 1.00 21.44 C ATOM 0 H ILE A 97 -4.942 7.567 2.728 1.00 55.30 H new ATOM 0 HA ILE A 97 -5.921 5.173 3.935 1.00 32.15 H new ATOM 0 HB ILE A 97 -6.333 6.688 1.327 1.00 1.12 H new ATOM 0 HG12 ILE A 97 -7.386 7.669 3.317 1.00 24.25 H new ATOM 0 HG13 ILE A 97 -8.621 7.088 2.217 1.00 24.25 H new ATOM 0 HG21 ILE A 97 -8.168 5.183 0.671 1.00 60.32 H new ATOM 0 HG22 ILE A 97 -6.580 4.382 0.649 1.00 60.32 H new ATOM 0 HG23 ILE A 97 -7.713 4.074 1.985 1.00 60.32 H new ATOM 0 HD11 ILE A 97 -9.210 6.587 4.540 1.00 21.44 H new ATOM 0 HD12 ILE A 97 -8.951 5.081 3.627 1.00 21.44 H new ATOM 0 HD13 ILE A 97 -7.697 5.672 4.744 1.00 21.44 H new ATOM 1476 N LEU A 98 -4.538 3.318 3.080 1.00 52.33 N ATOM 1477 CA LEU A 98 -3.811 2.133 2.597 1.00 45.21 C ATOM 1478 C LEU A 98 -4.821 1.050 2.136 1.00 1.42 C ATOM 1479 O LEU A 98 -5.575 0.494 2.946 1.00 32.34 O ATOM 1480 CB LEU A 98 -2.868 1.588 3.707 1.00 73.13 C ATOM 1481 CG LEU A 98 -2.046 0.302 3.355 1.00 74.51 C ATOM 1482 CD1 LEU A 98 -1.082 0.539 2.175 1.00 0.11 C ATOM 1483 CD2 LEU A 98 -1.297 -0.237 4.592 1.00 62.31 C ATOM 0 H LEU A 98 -4.922 3.206 4.018 1.00 52.33 H new ATOM 0 HA LEU A 98 -3.193 2.412 1.743 1.00 45.21 H new ATOM 0 HB2 LEU A 98 -2.167 2.378 3.978 1.00 73.13 H new ATOM 0 HB3 LEU A 98 -3.468 1.378 4.592 1.00 73.13 H new ATOM 0 HG LEU A 98 -2.759 -0.459 3.037 1.00 74.51 H new ATOM 0 HD11 LEU A 98 -0.532 -0.378 1.965 1.00 0.11 H new ATOM 0 HD12 LEU A 98 -1.652 0.831 1.293 1.00 0.11 H new ATOM 0 HD13 LEU A 98 -0.380 1.332 2.432 1.00 0.11 H new ATOM 0 HD21 LEU A 98 -0.735 -1.130 4.317 1.00 62.31 H new ATOM 0 HD22 LEU A 98 -0.610 0.524 4.962 1.00 62.31 H new ATOM 0 HD23 LEU A 98 -2.016 -0.487 5.372 1.00 62.31 H new ATOM 1495 N SER A 99 -4.825 0.786 0.824 1.00 71.14 N ATOM 1496 CA SER A 99 -5.648 -0.255 0.172 1.00 2.20 C ATOM 1497 C SER A 99 -4.732 -1.085 -0.762 1.00 70.03 C ATOM 1498 O SER A 99 -3.587 -0.695 -0.984 1.00 43.20 O ATOM 1499 CB SER A 99 -6.807 0.415 -0.598 1.00 42.31 C ATOM 1500 OG SER A 99 -7.614 -0.523 -1.292 1.00 14.32 O ATOM 0 H SER A 99 -4.242 1.301 0.164 1.00 71.14 H new ATOM 0 HA SER A 99 -6.091 -0.926 0.908 1.00 2.20 H new ATOM 0 HB2 SER A 99 -7.427 0.975 0.102 1.00 42.31 H new ATOM 0 HB3 SER A 99 -6.399 1.134 -1.309 1.00 42.31 H new ATOM 0 HG SER A 99 -8.157 -1.026 -0.650 1.00 14.32 H new ATOM 1506 N MET A 100 -5.213 -2.232 -1.286 1.00 12.34 N ATOM 1507 CA MET A 100 -4.383 -3.134 -2.135 1.00 33.22 C ATOM 1508 C MET A 100 -4.724 -2.940 -3.616 1.00 54.22 C ATOM 1509 O MET A 100 -5.877 -2.640 -3.956 1.00 3.22 O ATOM 1510 CB MET A 100 -4.534 -4.626 -1.724 1.00 4.22 C ATOM 1511 CG MET A 100 -4.241 -4.890 -0.243 1.00 54.24 C ATOM 1512 SD MET A 100 -3.921 -6.619 0.146 1.00 4.41 S ATOM 1513 CE MET A 100 -2.207 -6.782 -0.374 1.00 62.12 C ATOM 0 H MET A 100 -6.168 -2.561 -1.141 1.00 12.34 H new ATOM 0 HA MET A 100 -3.339 -2.862 -1.977 1.00 33.22 H new ATOM 0 HB2 MET A 100 -5.549 -4.955 -1.949 1.00 4.22 H new ATOM 0 HB3 MET A 100 -3.861 -5.231 -2.332 1.00 4.22 H new ATOM 0 HG2 MET A 100 -3.378 -4.295 0.057 1.00 54.24 H new ATOM 0 HG3 MET A 100 -5.088 -4.546 0.351 1.00 54.24 H new ATOM 0 HE1 MET A 100 -1.792 -7.708 0.025 1.00 62.12 H new ATOM 0 HE2 MET A 100 -2.157 -6.802 -1.463 1.00 62.12 H new ATOM 0 HE3 MET A 100 -1.631 -5.935 0.000 1.00 62.12 H new ATOM 1523 N ALA A 101 -3.705 -3.092 -4.485 1.00 21.42 N ATOM 1524 CA ALA A 101 -3.837 -2.849 -5.941 1.00 33.23 C ATOM 1525 C ALA A 101 -4.367 -4.103 -6.670 1.00 14.02 C ATOM 1526 O ALA A 101 -4.420 -5.199 -6.084 1.00 64.33 O ATOM 1527 CB ALA A 101 -2.482 -2.394 -6.517 1.00 23.10 C ATOM 0 H ALA A 101 -2.770 -3.385 -4.202 1.00 21.42 H new ATOM 0 HA ALA A 101 -4.566 -2.055 -6.100 1.00 33.23 H new ATOM 0 HB1 ALA A 101 -2.583 -2.216 -7.588 1.00 23.10 H new ATOM 0 HB2 ALA A 101 -2.168 -1.474 -6.024 1.00 23.10 H new ATOM 0 HB3 ALA A 101 -1.735 -3.170 -6.347 1.00 23.10 H new ATOM 1533 N ASN A 102 -4.773 -3.929 -7.946 1.00 13.15 N ATOM 1534 CA ASN A 102 -5.362 -5.017 -8.755 1.00 10.14 C ATOM 1535 C ASN A 102 -5.505 -4.622 -10.235 1.00 53.14 C ATOM 1536 O ASN A 102 -5.346 -3.454 -10.600 1.00 54.54 O ATOM 1537 CB ASN A 102 -6.756 -5.403 -8.209 1.00 53.35 C ATOM 1538 CG ASN A 102 -7.814 -4.312 -8.372 1.00 63.23 C ATOM 1539 OD1 ASN A 102 -7.524 -3.114 -8.329 1.00 2.40 O ATOM 1540 ND2 ASN A 102 -9.049 -4.728 -8.548 1.00 51.45 N ATOM 0 H ASN A 102 -4.703 -3.039 -8.440 1.00 13.15 H new ATOM 0 HA ASN A 102 -4.681 -5.865 -8.685 1.00 10.14 H new ATOM 0 HB2 ASN A 102 -7.097 -6.304 -8.719 1.00 53.35 H new ATOM 0 HB3 ASN A 102 -6.664 -5.650 -7.151 1.00 53.35 H new ATOM 0 HD21 ASN A 102 -9.805 -4.051 -8.654 1.00 51.45 H new ATOM 0 HD22 ASN A 102 -9.251 -5.727 -8.578 1.00 51.45 H new ATOM 1547 N ALA A 103 -5.854 -5.620 -11.067 1.00 32.35 N ATOM 1548 CA ALA A 103 -6.216 -5.416 -12.483 1.00 13.14 C ATOM 1549 C ALA A 103 -7.752 -5.409 -12.671 1.00 30.22 C ATOM 1550 O ALA A 103 -8.256 -4.862 -13.658 1.00 5.22 O ATOM 1551 CB ALA A 103 -5.560 -6.506 -13.349 1.00 44.03 C ATOM 0 H ALA A 103 -5.893 -6.596 -10.775 1.00 32.35 H new ATOM 0 HA ALA A 103 -5.845 -4.442 -12.802 1.00 13.14 H new ATOM 0 HB1 ALA A 103 -5.830 -6.352 -14.394 1.00 44.03 H new ATOM 0 HB2 ALA A 103 -4.477 -6.453 -13.242 1.00 44.03 H new ATOM 0 HB3 ALA A 103 -5.908 -7.487 -13.025 1.00 44.03 H new ATOM 1557 N GLY A 104 -8.493 -6.020 -11.713 1.00 4.11 N ATOM 1558 CA GLY A 104 -9.963 -6.115 -11.800 1.00 31.20 C ATOM 1559 C GLY A 104 -10.592 -6.806 -10.587 1.00 12.32 C ATOM 1560 O GLY A 104 -9.876 -7.137 -9.638 1.00 53.55 O ATOM 0 H GLY A 104 -8.095 -6.450 -10.878 1.00 4.11 H new ATOM 0 HA2 GLY A 104 -10.381 -5.113 -11.897 1.00 31.20 H new ATOM 0 HA3 GLY A 104 -10.233 -6.662 -12.703 1.00 31.20 H new ATOM 1564 N PRO A 105 -11.950 -7.020 -10.561 1.00 3.22 N ATOM 1565 CA PRO A 105 -12.626 -7.779 -9.473 1.00 75.42 C ATOM 1566 C PRO A 105 -12.095 -9.222 -9.327 1.00 32.23 C ATOM 1567 O PRO A 105 -11.867 -9.905 -10.331 1.00 22.54 O ATOM 1568 CB PRO A 105 -14.123 -7.765 -9.875 1.00 74.43 C ATOM 1569 CG PRO A 105 -14.250 -6.597 -10.809 1.00 2.41 C ATOM 1570 CD PRO A 105 -12.930 -6.512 -11.552 1.00 31.44 C ATOM 0 HA PRO A 105 -12.443 -7.327 -8.498 1.00 75.42 H new ATOM 0 HB2 PRO A 105 -14.412 -8.696 -10.362 1.00 74.43 H new ATOM 0 HB3 PRO A 105 -14.767 -7.648 -9.003 1.00 74.43 H new ATOM 0 HG2 PRO A 105 -15.079 -6.739 -11.502 1.00 2.41 H new ATOM 0 HG3 PRO A 105 -14.448 -5.677 -10.259 1.00 2.41 H new ATOM 0 HD2 PRO A 105 -12.938 -7.118 -12.458 1.00 31.44 H new ATOM 0 HD3 PRO A 105 -12.703 -5.490 -11.855 1.00 31.44 H new ATOM 1578 N ASN A 106 -11.881 -9.640 -8.061 1.00 41.25 N ATOM 1579 CA ASN A 106 -11.304 -10.958 -7.689 1.00 54.44 C ATOM 1580 C ASN A 106 -9.798 -11.051 -8.064 1.00 75.13 C ATOM 1581 O ASN A 106 -9.176 -12.108 -7.950 1.00 42.35 O ATOM 1582 CB ASN A 106 -12.141 -12.138 -8.285 1.00 4.35 C ATOM 1583 CG ASN A 106 -11.781 -13.522 -7.719 1.00 51.20 C ATOM 1584 OD1 ASN A 106 -11.458 -13.667 -6.544 1.00 41.21 O ATOM 1585 ND2 ASN A 106 -11.826 -14.546 -8.558 1.00 75.00 N ATOM 0 H ASN A 106 -12.107 -9.063 -7.251 1.00 41.25 H new ATOM 0 HA ASN A 106 -11.360 -11.049 -6.604 1.00 54.44 H new ATOM 0 HB2 ASN A 106 -13.198 -11.947 -8.100 1.00 4.35 H new ATOM 0 HB3 ASN A 106 -12.004 -12.154 -9.366 1.00 4.35 H new ATOM 0 HD21 ASN A 106 -11.589 -15.483 -8.232 1.00 75.00 H new ATOM 0 HD22 ASN A 106 -12.098 -14.398 -9.530 1.00 75.00 H new ATOM 1592 N THR A 107 -9.205 -9.907 -8.455 1.00 53.50 N ATOM 1593 CA THR A 107 -7.783 -9.796 -8.812 1.00 61.53 C ATOM 1594 C THR A 107 -7.018 -8.983 -7.732 1.00 71.34 C ATOM 1595 O THR A 107 -5.820 -8.721 -7.864 1.00 20.23 O ATOM 1596 CB THR A 107 -7.637 -9.146 -10.237 1.00 62.10 C ATOM 1597 OG1 THR A 107 -8.636 -9.701 -11.113 1.00 63.40 O ATOM 1598 CG2 THR A 107 -6.249 -9.363 -10.874 1.00 64.23 C ATOM 0 H THR A 107 -9.709 -9.024 -8.532 1.00 53.50 H new ATOM 0 HA THR A 107 -7.341 -10.792 -8.849 1.00 61.53 H new ATOM 0 HB THR A 107 -7.766 -8.072 -10.105 1.00 62.10 H new ATOM 0 HG1 THR A 107 -8.551 -9.298 -12.002 1.00 63.40 H new ATOM 0 HG21 THR A 107 -6.220 -8.888 -11.855 1.00 64.23 H new ATOM 0 HG22 THR A 107 -5.483 -8.923 -10.235 1.00 64.23 H new ATOM 0 HG23 THR A 107 -6.062 -10.431 -10.983 1.00 64.23 H new ATOM 1606 N ASN A 108 -7.728 -8.628 -6.643 1.00 12.21 N ATOM 1607 CA ASN A 108 -7.204 -7.743 -5.581 1.00 71.53 C ATOM 1608 C ASN A 108 -6.310 -8.519 -4.597 1.00 71.13 C ATOM 1609 O ASN A 108 -6.448 -9.729 -4.448 1.00 43.42 O ATOM 1610 CB ASN A 108 -8.388 -7.048 -4.844 1.00 65.25 C ATOM 1611 CG ASN A 108 -7.945 -5.894 -3.927 1.00 71.11 C ATOM 1612 OD1 ASN A 108 -6.946 -5.234 -4.192 1.00 34.23 O ATOM 1613 ND2 ASN A 108 -8.679 -5.635 -2.860 1.00 14.33 N ATOM 0 H ASN A 108 -8.682 -8.947 -6.474 1.00 12.21 H new ATOM 0 HA ASN A 108 -6.581 -6.976 -6.041 1.00 71.53 H new ATOM 0 HB2 ASN A 108 -9.092 -6.665 -5.583 1.00 65.25 H new ATOM 0 HB3 ASN A 108 -8.922 -7.790 -4.250 1.00 65.25 H new ATOM 0 HD21 ASN A 108 -8.419 -4.872 -2.235 1.00 14.33 H new ATOM 0 HD22 ASN A 108 -9.506 -6.198 -2.661 1.00 14.33 H new ATOM 1620 N GLY A 109 -5.383 -7.808 -3.945 1.00 54.14 N ATOM 1621 CA GLY A 109 -4.440 -8.422 -3.004 1.00 13.12 C ATOM 1622 C GLY A 109 -3.034 -8.523 -3.566 1.00 31.12 C ATOM 1623 O GLY A 109 -2.119 -8.979 -2.866 1.00 32.53 O ATOM 0 H GLY A 109 -5.266 -6.801 -4.053 1.00 54.14 H new ATOM 0 HA2 GLY A 109 -4.418 -7.837 -2.084 1.00 13.12 H new ATOM 0 HA3 GLY A 109 -4.794 -9.419 -2.740 1.00 13.12 H new ATOM 1627 N SER A 110 -2.870 -8.116 -4.837 1.00 10.31 N ATOM 1628 CA SER A 110 -1.559 -7.953 -5.463 1.00 70.02 C ATOM 1629 C SER A 110 -1.102 -6.499 -5.245 1.00 45.53 C ATOM 1630 O SER A 110 -1.784 -5.583 -5.698 1.00 22.13 O ATOM 1631 CB SER A 110 -1.658 -8.291 -6.975 1.00 45.04 C ATOM 1632 OG SER A 110 -2.681 -7.543 -7.629 1.00 10.03 O ATOM 0 H SER A 110 -3.649 -7.892 -5.455 1.00 10.31 H new ATOM 0 HA SER A 110 -0.829 -8.630 -5.019 1.00 70.02 H new ATOM 0 HB2 SER A 110 -0.700 -8.089 -7.454 1.00 45.04 H new ATOM 0 HB3 SER A 110 -1.856 -9.356 -7.095 1.00 45.04 H new ATOM 0 HG SER A 110 -2.775 -6.669 -7.196 1.00 10.03 H new ATOM 1638 N GLN A 111 0.044 -6.303 -4.550 1.00 64.10 N ATOM 1639 CA GLN A 111 0.603 -4.957 -4.212 1.00 1.00 C ATOM 1640 C GLN A 111 -0.302 -4.182 -3.214 1.00 2.42 C ATOM 1641 O GLN A 111 -1.423 -4.599 -2.902 1.00 73.53 O ATOM 1642 CB GLN A 111 0.829 -4.083 -5.482 1.00 62.32 C ATOM 1643 CG GLN A 111 1.655 -4.744 -6.592 1.00 64.24 C ATOM 1644 CD GLN A 111 1.568 -3.966 -7.895 1.00 2.20 C ATOM 1645 OE1 GLN A 111 2.381 -3.091 -8.168 1.00 71.12 O ATOM 1646 NE2 GLN A 111 0.548 -4.246 -8.687 1.00 54.41 N ATOM 0 H GLN A 111 0.615 -7.074 -4.203 1.00 64.10 H new ATOM 0 HA GLN A 111 1.566 -5.147 -3.738 1.00 1.00 H new ATOM 0 HB2 GLN A 111 -0.143 -3.806 -5.890 1.00 62.32 H new ATOM 0 HB3 GLN A 111 1.324 -3.159 -5.184 1.00 62.32 H new ATOM 0 HG2 GLN A 111 2.697 -4.814 -6.278 1.00 64.24 H new ATOM 0 HG3 GLN A 111 1.301 -5.763 -6.752 1.00 64.24 H new ATOM 0 HE21 GLN A 111 -0.111 -4.981 -8.430 1.00 54.41 H new ATOM 0 HE22 GLN A 111 0.419 -3.727 -9.556 1.00 54.41 H new ATOM 1655 N PHE A 112 0.198 -3.025 -2.749 1.00 53.40 N ATOM 1656 CA PHE A 112 -0.525 -2.128 -1.830 1.00 2.45 C ATOM 1657 C PHE A 112 -0.197 -0.669 -2.194 1.00 33.31 C ATOM 1658 O PHE A 112 0.960 -0.339 -2.420 1.00 54.10 O ATOM 1659 CB PHE A 112 -0.144 -2.446 -0.346 1.00 72.15 C ATOM 1660 CG PHE A 112 1.360 -2.328 -0.016 1.00 51.12 C ATOM 1661 CD1 PHE A 112 2.253 -3.357 -0.346 1.00 54.30 C ATOM 1662 CD2 PHE A 112 1.879 -1.184 0.605 1.00 15.25 C ATOM 1663 CE1 PHE A 112 3.602 -3.247 -0.052 1.00 1.50 C ATOM 1664 CE2 PHE A 112 3.227 -1.080 0.894 1.00 3.11 C ATOM 1665 CZ PHE A 112 4.089 -2.107 0.559 1.00 5.31 C ATOM 0 H PHE A 112 1.125 -2.682 -3.003 1.00 53.40 H new ATOM 0 HA PHE A 112 -1.599 -2.282 -1.930 1.00 2.45 H new ATOM 0 HB2 PHE A 112 -0.697 -1.772 0.307 1.00 72.15 H new ATOM 0 HB3 PHE A 112 -0.473 -3.458 -0.112 1.00 72.15 H new ATOM 0 HD1 PHE A 112 1.885 -4.246 -0.835 1.00 54.30 H new ATOM 0 HD2 PHE A 112 1.216 -0.371 0.862 1.00 15.25 H new ATOM 0 HE1 PHE A 112 4.275 -4.054 -0.301 1.00 1.50 H new ATOM 0 HE2 PHE A 112 3.607 -0.195 1.382 1.00 3.11 H new ATOM 0 HZ PHE A 112 5.144 -2.019 0.775 1.00 5.31 H new ATOM 1675 N PHE A 113 -1.217 0.192 -2.272 1.00 12.11 N ATOM 1676 CA PHE A 113 -1.044 1.628 -2.536 1.00 20.14 C ATOM 1677 C PHE A 113 -1.524 2.456 -1.343 1.00 30.53 C ATOM 1678 O PHE A 113 -2.527 2.124 -0.693 1.00 74.33 O ATOM 1679 CB PHE A 113 -1.771 2.054 -3.842 1.00 1.30 C ATOM 1680 CG PHE A 113 -3.291 1.864 -3.857 1.00 62.31 C ATOM 1681 CD1 PHE A 113 -3.853 0.645 -4.226 1.00 45.11 C ATOM 1682 CD2 PHE A 113 -4.155 2.914 -3.523 1.00 30.32 C ATOM 1683 CE1 PHE A 113 -5.223 0.480 -4.258 1.00 0.41 C ATOM 1684 CE2 PHE A 113 -5.520 2.740 -3.554 1.00 33.13 C ATOM 1685 CZ PHE A 113 -6.053 1.523 -3.923 1.00 12.30 C ATOM 0 H PHE A 113 -2.191 -0.087 -2.154 1.00 12.11 H new ATOM 0 HA PHE A 113 0.020 1.819 -2.677 1.00 20.14 H new ATOM 0 HB2 PHE A 113 -1.554 3.106 -4.028 1.00 1.30 H new ATOM 0 HB3 PHE A 113 -1.346 1.489 -4.672 1.00 1.30 H new ATOM 0 HD1 PHE A 113 -3.210 -0.181 -4.490 1.00 45.11 H new ATOM 0 HD2 PHE A 113 -3.746 3.872 -3.238 1.00 30.32 H new ATOM 0 HE1 PHE A 113 -5.644 -0.472 -4.547 1.00 0.41 H new ATOM 0 HE2 PHE A 113 -6.174 3.557 -3.289 1.00 33.13 H new ATOM 0 HZ PHE A 113 -7.124 1.389 -3.949 1.00 12.30 H new ATOM 1695 N ILE A 114 -0.787 3.534 -1.071 1.00 64.11 N ATOM 1696 CA ILE A 114 -1.117 4.514 -0.042 1.00 0.01 C ATOM 1697 C ILE A 114 -1.556 5.807 -0.740 1.00 23.55 C ATOM 1698 O ILE A 114 -0.713 6.504 -1.319 1.00 64.45 O ATOM 1699 CB ILE A 114 0.112 4.853 0.881 1.00 12.55 C ATOM 1700 CG1 ILE A 114 0.891 3.573 1.315 1.00 74.34 C ATOM 1701 CG2 ILE A 114 -0.368 5.659 2.112 1.00 73.41 C ATOM 1702 CD1 ILE A 114 2.232 3.856 1.976 1.00 10.22 C ATOM 0 H ILE A 114 0.074 3.752 -1.572 1.00 64.11 H new ATOM 0 HA ILE A 114 -1.903 4.092 0.584 1.00 0.01 H new ATOM 0 HB ILE A 114 0.810 5.461 0.306 1.00 12.55 H new ATOM 0 HG12 ILE A 114 0.272 3.000 2.005 1.00 74.34 H new ATOM 0 HG13 ILE A 114 1.055 2.946 0.439 1.00 74.34 H new ATOM 0 HG21 ILE A 114 0.485 5.892 2.749 1.00 73.41 H new ATOM 0 HG22 ILE A 114 -0.837 6.585 1.780 1.00 73.41 H new ATOM 0 HG23 ILE A 114 -1.090 5.068 2.675 1.00 73.41 H new ATOM 0 HD11 ILE A 114 2.710 2.915 2.248 1.00 10.22 H new ATOM 0 HD12 ILE A 114 2.872 4.401 1.282 1.00 10.22 H new ATOM 0 HD13 ILE A 114 2.076 4.456 2.873 1.00 10.22 H new ATOM 1714 N CYS A 115 -2.861 6.102 -0.715 1.00 60.40 N ATOM 1715 CA CYS A 115 -3.407 7.366 -1.218 1.00 32.13 C ATOM 1716 C CYS A 115 -2.823 8.544 -0.404 1.00 22.20 C ATOM 1717 O CYS A 115 -3.209 8.769 0.746 1.00 14.34 O ATOM 1718 CB CYS A 115 -4.954 7.334 -1.143 1.00 1.12 C ATOM 1719 SG CYS A 115 -5.691 5.926 -2.007 1.00 64.44 S ATOM 0 H CYS A 115 -3.569 5.468 -0.344 1.00 60.40 H new ATOM 0 HA CYS A 115 -3.124 7.504 -2.262 1.00 32.13 H new ATOM 0 HB2 CYS A 115 -5.258 7.308 -0.097 1.00 1.12 H new ATOM 0 HB3 CYS A 115 -5.349 8.257 -1.567 1.00 1.12 H new ATOM 0 HG CYS A 115 -4.818 4.967 -2.098 1.00 64.44 H new ATOM 1725 N THR A 116 -1.857 9.247 -1.015 1.00 21.14 N ATOM 1726 CA THR A 116 -1.185 10.420 -0.427 1.00 50.12 C ATOM 1727 C THR A 116 -2.129 11.632 -0.467 1.00 11.14 C ATOM 1728 O THR A 116 -2.104 12.491 0.417 1.00 20.42 O ATOM 1729 CB THR A 116 0.130 10.744 -1.216 1.00 30.33 C ATOM 1730 OG1 THR A 116 -0.180 10.847 -2.613 1.00 45.32 O ATOM 1731 CG2 THR A 116 1.217 9.671 -1.031 1.00 13.13 C ATOM 0 H THR A 116 -1.514 9.014 -1.947 1.00 21.14 H new ATOM 0 HA THR A 116 -0.927 10.197 0.608 1.00 50.12 H new ATOM 0 HB THR A 116 0.523 11.681 -0.822 1.00 30.33 H new ATOM 0 HG1 THR A 116 0.091 11.729 -2.944 1.00 45.32 H new ATOM 0 HG21 THR A 116 2.104 9.949 -1.600 1.00 13.13 H new ATOM 0 HG22 THR A 116 1.474 9.592 0.025 1.00 13.13 H new ATOM 0 HG23 THR A 116 0.844 8.710 -1.387 1.00 13.13 H new ATOM 1739 N ALA A 117 -2.960 11.665 -1.513 1.00 1.43 N ATOM 1740 CA ALA A 117 -4.066 12.613 -1.663 1.00 12.42 C ATOM 1741 C ALA A 117 -5.367 11.910 -1.269 1.00 31.34 C ATOM 1742 O ALA A 117 -5.427 10.668 -1.263 1.00 13.54 O ATOM 1743 CB ALA A 117 -4.142 13.110 -3.120 1.00 14.51 C ATOM 0 H ALA A 117 -2.880 11.018 -2.297 1.00 1.43 H new ATOM 0 HA ALA A 117 -3.907 13.477 -1.018 1.00 12.42 H new ATOM 0 HB1 ALA A 117 -4.968 13.814 -3.222 1.00 14.51 H new ATOM 0 HB2 ALA A 117 -3.208 13.605 -3.385 1.00 14.51 H new ATOM 0 HB3 ALA A 117 -4.305 12.262 -3.786 1.00 14.51 H new ATOM 1749 N LYS A 118 -6.403 12.693 -0.924 1.00 71.44 N ATOM 1750 CA LYS A 118 -7.751 12.150 -0.742 1.00 63.53 C ATOM 1751 C LYS A 118 -8.301 11.790 -2.138 1.00 72.31 C ATOM 1752 O LYS A 118 -8.458 12.658 -3.009 1.00 53.22 O ATOM 1753 CB LYS A 118 -8.659 13.133 0.080 1.00 1.10 C ATOM 1754 CG LYS A 118 -8.986 14.528 -0.540 1.00 41.32 C ATOM 1755 CD LYS A 118 -10.288 14.557 -1.392 1.00 12.52 C ATOM 1756 CE LYS A 118 -11.551 14.167 -0.606 1.00 30.11 C ATOM 1757 NZ LYS A 118 -11.796 15.058 0.558 1.00 51.11 N ATOM 0 H LYS A 118 -6.329 13.698 -0.767 1.00 71.44 H new ATOM 0 HA LYS A 118 -7.734 11.241 -0.140 1.00 63.53 H new ATOM 0 HB2 LYS A 118 -9.604 12.627 0.278 1.00 1.10 H new ATOM 0 HB3 LYS A 118 -8.180 13.301 1.044 1.00 1.10 H new ATOM 0 HG2 LYS A 118 -9.075 15.259 0.264 1.00 41.32 H new ATOM 0 HG3 LYS A 118 -8.149 14.841 -1.164 1.00 41.32 H new ATOM 0 HD2 LYS A 118 -10.421 15.558 -1.802 1.00 12.52 H new ATOM 0 HD3 LYS A 118 -10.173 13.879 -2.238 1.00 12.52 H new ATOM 0 HE2 LYS A 118 -12.413 14.199 -1.272 1.00 30.11 H new ATOM 0 HE3 LYS A 118 -11.455 13.138 -0.258 1.00 30.11 H new ATOM 0 HZ1 LYS A 118 -12.667 14.763 1.044 1.00 51.11 H new ATOM 0 HZ2 LYS A 118 -10.994 14.996 1.217 1.00 51.11 H new ATOM 0 HZ3 LYS A 118 -11.898 16.039 0.229 1.00 51.11 H new ATOM 1771 N THR A 119 -8.471 10.487 -2.394 1.00 61.51 N ATOM 1772 CA THR A 119 -8.901 9.998 -3.699 1.00 24.23 C ATOM 1773 C THR A 119 -10.398 9.644 -3.638 1.00 61.25 C ATOM 1774 O THR A 119 -10.796 8.492 -3.449 1.00 51.50 O ATOM 1775 CB THR A 119 -7.998 8.786 -4.130 1.00 42.21 C ATOM 1776 OG1 THR A 119 -8.027 7.763 -3.132 1.00 43.51 O ATOM 1777 CG2 THR A 119 -6.528 9.209 -4.345 1.00 73.13 C ATOM 0 H THR A 119 -8.314 9.751 -1.705 1.00 61.51 H new ATOM 0 HA THR A 119 -8.782 10.767 -4.462 1.00 24.23 H new ATOM 0 HB THR A 119 -8.401 8.414 -5.072 1.00 42.21 H new ATOM 0 HG1 THR A 119 -7.128 7.388 -3.022 1.00 43.51 H new ATOM 0 HG21 THR A 119 -5.939 8.341 -4.642 1.00 73.13 H new ATOM 0 HG22 THR A 119 -6.478 9.966 -5.128 1.00 73.13 H new ATOM 0 HG23 THR A 119 -6.128 9.619 -3.418 1.00 73.13 H new ATOM 1785 N GLU A 120 -11.224 10.681 -3.837 1.00 41.33 N ATOM 1786 CA GLU A 120 -12.696 10.602 -3.704 1.00 21.43 C ATOM 1787 C GLU A 120 -13.324 9.915 -4.935 1.00 60.43 C ATOM 1788 O GLU A 120 -14.387 9.303 -4.851 1.00 14.12 O ATOM 1789 CB GLU A 120 -13.274 12.027 -3.492 1.00 21.45 C ATOM 1790 CG GLU A 120 -12.900 13.040 -4.594 1.00 14.12 C ATOM 1791 CD GLU A 120 -13.461 14.449 -4.340 1.00 12.02 C ATOM 1792 OE1 GLU A 120 -14.601 14.739 -4.768 1.00 71.22 O ATOM 1793 OE2 GLU A 120 -12.775 15.269 -3.702 1.00 2.31 O ATOM 0 H GLU A 120 -10.891 11.609 -4.097 1.00 41.33 H new ATOM 0 HA GLU A 120 -12.945 9.993 -2.835 1.00 21.43 H new ATOM 0 HB2 GLU A 120 -14.360 11.959 -3.432 1.00 21.45 H new ATOM 0 HB3 GLU A 120 -12.925 12.408 -2.532 1.00 21.45 H new ATOM 0 HG2 GLU A 120 -11.814 13.097 -4.672 1.00 14.12 H new ATOM 0 HG3 GLU A 120 -13.270 12.677 -5.553 1.00 14.12 H new ATOM 1800 N TRP A 121 -12.612 9.998 -6.068 1.00 32.34 N ATOM 1801 CA TRP A 121 -12.978 9.312 -7.323 1.00 4.13 C ATOM 1802 C TRP A 121 -12.783 7.779 -7.203 1.00 52.34 C ATOM 1803 O TRP A 121 -13.133 7.027 -8.119 1.00 62.11 O ATOM 1804 CB TRP A 121 -12.161 9.894 -8.509 1.00 52.43 C ATOM 1805 CG TRP A 121 -10.656 9.881 -8.299 1.00 11.51 C ATOM 1806 CD1 TRP A 121 -9.769 8.908 -8.681 1.00 25.03 C ATOM 1807 CD2 TRP A 121 -9.872 10.901 -7.652 1.00 24.11 C ATOM 1808 NE1 TRP A 121 -8.498 9.256 -8.305 1.00 44.43 N ATOM 1809 CE2 TRP A 121 -8.536 10.476 -7.674 1.00 40.15 C ATOM 1810 CE3 TRP A 121 -10.182 12.130 -7.051 1.00 50.32 C ATOM 1811 CZ2 TRP A 121 -7.508 11.239 -7.123 1.00 2.20 C ATOM 1812 CZ3 TRP A 121 -9.164 12.883 -6.504 1.00 32.54 C ATOM 1813 CH2 TRP A 121 -7.839 12.433 -6.541 1.00 14.23 C ATOM 0 H TRP A 121 -11.756 10.548 -6.143 1.00 32.34 H new ATOM 0 HA TRP A 121 -14.036 9.488 -7.516 1.00 4.13 H new ATOM 0 HB2 TRP A 121 -12.395 9.326 -9.409 1.00 52.43 H new ATOM 0 HB3 TRP A 121 -12.482 10.920 -8.687 1.00 52.43 H new ATOM 0 HD1 TRP A 121 -10.033 8.000 -9.202 1.00 25.03 H new ATOM 0 HE1 TRP A 121 -7.659 8.699 -8.467 1.00 44.43 H new ATOM 0 HE3 TRP A 121 -11.203 12.481 -7.017 1.00 50.32 H new ATOM 0 HZ2 TRP A 121 -6.483 10.899 -7.154 1.00 2.20 H new ATOM 0 HZ3 TRP A 121 -9.392 13.832 -6.041 1.00 32.54 H new ATOM 0 HH2 TRP A 121 -7.062 13.040 -6.101 1.00 14.23 H new ATOM 1824 N LEU A 122 -12.193 7.331 -6.070 1.00 2.00 N ATOM 1825 CA LEU A 122 -12.080 5.904 -5.727 1.00 12.14 C ATOM 1826 C LEU A 122 -13.214 5.460 -4.768 1.00 63.10 C ATOM 1827 O LEU A 122 -13.069 4.461 -4.046 1.00 60.11 O ATOM 1828 CB LEU A 122 -10.670 5.580 -5.146 1.00 44.31 C ATOM 1829 CG LEU A 122 -9.445 5.838 -6.088 1.00 4.04 C ATOM 1830 CD1 LEU A 122 -8.139 5.283 -5.474 1.00 4.41 C ATOM 1831 CD2 LEU A 122 -9.685 5.269 -7.508 1.00 25.43 C ATOM 0 H LEU A 122 -11.784 7.952 -5.372 1.00 2.00 H new ATOM 0 HA LEU A 122 -12.196 5.329 -6.645 1.00 12.14 H new ATOM 0 HB2 LEU A 122 -10.532 6.169 -4.239 1.00 44.31 H new ATOM 0 HB3 LEU A 122 -10.657 4.531 -4.850 1.00 44.31 H new ATOM 0 HG LEU A 122 -9.333 6.918 -6.187 1.00 4.04 H new ATOM 0 HD11 LEU A 122 -7.307 5.477 -6.151 1.00 4.41 H new ATOM 0 HD12 LEU A 122 -7.950 5.771 -4.518 1.00 4.41 H new ATOM 0 HD13 LEU A 122 -8.238 4.209 -5.319 1.00 4.41 H new ATOM 0 HD21 LEU A 122 -8.813 5.468 -8.132 1.00 25.43 H new ATOM 0 HD22 LEU A 122 -9.849 4.193 -7.446 1.00 25.43 H new ATOM 0 HD23 LEU A 122 -10.562 5.745 -7.947 1.00 25.43 H new ATOM 1843 N ASP A 123 -14.355 6.186 -4.780 1.00 14.13 N ATOM 1844 CA ASP A 123 -15.619 5.665 -4.203 1.00 63.21 C ATOM 1845 C ASP A 123 -16.175 4.557 -5.113 1.00 63.44 C ATOM 1846 O ASP A 123 -16.202 4.705 -6.345 1.00 35.22 O ATOM 1847 CB ASP A 123 -16.689 6.778 -3.978 1.00 62.23 C ATOM 1848 CG ASP A 123 -16.419 7.641 -2.730 1.00 61.54 C ATOM 1849 OD1 ASP A 123 -16.328 7.073 -1.620 1.00 34.00 O ATOM 1850 OD2 ASP A 123 -16.334 8.883 -2.832 1.00 2.24 O ATOM 0 H ASP A 123 -14.429 7.123 -5.177 1.00 14.13 H new ATOM 0 HA ASP A 123 -15.389 5.260 -3.218 1.00 63.21 H new ATOM 0 HB2 ASP A 123 -16.723 7.423 -4.856 1.00 62.23 H new ATOM 0 HB3 ASP A 123 -17.671 6.314 -3.885 1.00 62.23 H new ATOM 1855 N GLY A 124 -16.587 3.439 -4.489 1.00 11.34 N ATOM 1856 CA GLY A 124 -17.009 2.232 -5.208 1.00 4.24 C ATOM 1857 C GLY A 124 -15.845 1.283 -5.493 1.00 64.22 C ATOM 1858 O GLY A 124 -16.063 0.121 -5.855 1.00 74.41 O ATOM 0 H GLY A 124 -16.635 3.351 -3.474 1.00 11.34 H new ATOM 0 HA2 GLY A 124 -17.764 1.709 -4.621 1.00 4.24 H new ATOM 0 HA3 GLY A 124 -17.478 2.519 -6.149 1.00 4.24 H new ATOM 1862 N LYS A 125 -14.603 1.784 -5.326 1.00 63.41 N ATOM 1863 CA LYS A 125 -13.369 1.013 -5.577 1.00 14.54 C ATOM 1864 C LYS A 125 -13.024 0.112 -4.371 1.00 33.03 C ATOM 1865 O LYS A 125 -13.808 -0.021 -3.426 1.00 12.04 O ATOM 1866 CB LYS A 125 -12.180 1.978 -5.962 1.00 41.52 C ATOM 1867 CG LYS A 125 -11.730 1.909 -7.445 1.00 13.33 C ATOM 1868 CD LYS A 125 -12.860 2.248 -8.455 1.00 41.03 C ATOM 1869 CE LYS A 125 -13.428 3.665 -8.282 1.00 53.51 C ATOM 1870 NZ LYS A 125 -14.420 4.002 -9.324 1.00 64.43 N ATOM 0 H LYS A 125 -14.428 2.739 -5.012 1.00 63.41 H new ATOM 0 HA LYS A 125 -13.538 0.352 -6.427 1.00 14.54 H new ATOM 0 HB2 LYS A 125 -12.476 3.002 -5.736 1.00 41.52 H new ATOM 0 HB3 LYS A 125 -11.324 1.746 -5.328 1.00 41.52 H new ATOM 0 HG2 LYS A 125 -10.900 2.599 -7.596 1.00 13.33 H new ATOM 0 HG3 LYS A 125 -11.354 0.908 -7.656 1.00 13.33 H new ATOM 0 HD2 LYS A 125 -12.475 2.140 -9.469 1.00 41.03 H new ATOM 0 HD3 LYS A 125 -13.667 1.525 -8.342 1.00 41.03 H new ATOM 0 HE2 LYS A 125 -13.893 3.750 -7.300 1.00 53.51 H new ATOM 0 HE3 LYS A 125 -12.612 4.387 -8.313 1.00 53.51 H new ATOM 0 HZ1 LYS A 125 -14.775 4.967 -9.166 1.00 64.43 H new ATOM 0 HZ2 LYS A 125 -13.972 3.947 -10.261 1.00 64.43 H new ATOM 0 HZ3 LYS A 125 -15.212 3.330 -9.279 1.00 64.43 H new ATOM 1884 N HIS A 126 -11.811 -0.452 -4.419 1.00 23.51 N ATOM 1885 CA HIS A 126 -11.392 -1.606 -3.597 1.00 12.34 C ATOM 1886 C HIS A 126 -11.208 -1.206 -2.133 1.00 0.40 C ATOM 1887 O HIS A 126 -10.810 -0.072 -1.831 1.00 13.12 O ATOM 1888 CB HIS A 126 -10.093 -2.209 -4.202 1.00 2.12 C ATOM 1889 CG HIS A 126 -10.224 -2.339 -5.688 1.00 10.43 C ATOM 1890 ND1 HIS A 126 -9.710 -1.397 -6.553 1.00 40.51 N ATOM 1891 CD2 HIS A 126 -10.970 -3.170 -6.439 1.00 43.01 C ATOM 1892 CE1 HIS A 126 -10.155 -1.636 -7.765 1.00 63.34 C ATOM 1893 NE2 HIS A 126 -10.925 -2.703 -7.724 1.00 54.10 N ATOM 0 H HIS A 126 -11.075 -0.116 -5.041 1.00 23.51 H new ATOM 0 HA HIS A 126 -12.173 -2.366 -3.611 1.00 12.34 H new ATOM 0 HB2 HIS A 126 -9.241 -1.573 -3.959 1.00 2.12 H new ATOM 0 HB3 HIS A 126 -9.897 -3.186 -3.760 1.00 2.12 H new ATOM 0 HD2 HIS A 126 -11.504 -4.042 -6.092 1.00 43.01 H new ATOM 0 HE1 HIS A 126 -9.928 -1.055 -8.647 1.00 63.34 H new ATOM 0 HE2 HIS A 126 -11.410 -3.115 -8.521 1.00 54.10 H new ATOM 1902 N VAL A 127 -11.519 -2.160 -1.250 1.00 22.13 N ATOM 1903 CA VAL A 127 -11.649 -1.935 0.192 1.00 32.20 C ATOM 1904 C VAL A 127 -10.323 -1.490 0.830 1.00 51.02 C ATOM 1905 O VAL A 127 -9.275 -2.129 0.643 1.00 75.21 O ATOM 1906 CB VAL A 127 -12.173 -3.223 0.926 1.00 41.31 C ATOM 1907 CG1 VAL A 127 -12.347 -2.979 2.440 1.00 71.22 C ATOM 1908 CG2 VAL A 127 -13.492 -3.718 0.299 1.00 5.31 C ATOM 0 H VAL A 127 -11.690 -3.128 -1.523 1.00 22.13 H new ATOM 0 HA VAL A 127 -12.376 -1.132 0.312 1.00 32.20 H new ATOM 0 HB VAL A 127 -11.420 -4.001 0.798 1.00 41.31 H new ATOM 0 HG11 VAL A 127 -12.710 -3.890 2.916 1.00 71.22 H new ATOM 0 HG12 VAL A 127 -11.388 -2.700 2.876 1.00 71.22 H new ATOM 0 HG13 VAL A 127 -13.066 -2.175 2.599 1.00 71.22 H new ATOM 0 HG21 VAL A 127 -13.833 -4.610 0.825 1.00 5.31 H new ATOM 0 HG22 VAL A 127 -14.249 -2.938 0.380 1.00 5.31 H new ATOM 0 HG23 VAL A 127 -13.328 -3.957 -0.752 1.00 5.31 H new ATOM 1918 N VAL A 128 -10.400 -0.382 1.568 1.00 23.53 N ATOM 1919 CA VAL A 128 -9.311 0.103 2.415 1.00 21.05 C ATOM 1920 C VAL A 128 -9.248 -0.773 3.673 1.00 24.44 C ATOM 1921 O VAL A 128 -10.290 -1.155 4.210 1.00 22.43 O ATOM 1922 CB VAL A 128 -9.551 1.597 2.816 1.00 31.52 C ATOM 1923 CG1 VAL A 128 -8.380 2.169 3.653 1.00 20.23 C ATOM 1924 CG2 VAL A 128 -9.837 2.452 1.561 1.00 24.32 C ATOM 0 H VAL A 128 -11.230 0.210 1.594 1.00 23.53 H new ATOM 0 HA VAL A 128 -8.369 0.046 1.869 1.00 21.05 H new ATOM 0 HB VAL A 128 -10.431 1.636 3.458 1.00 31.52 H new ATOM 0 HG11 VAL A 128 -8.589 3.208 3.909 1.00 20.23 H new ATOM 0 HG12 VAL A 128 -8.267 1.586 4.567 1.00 20.23 H new ATOM 0 HG13 VAL A 128 -7.459 2.117 3.073 1.00 20.23 H new ATOM 0 HG21 VAL A 128 -10.002 3.488 1.856 1.00 24.32 H new ATOM 0 HG22 VAL A 128 -8.985 2.399 0.883 1.00 24.32 H new ATOM 0 HG23 VAL A 128 -10.726 2.073 1.057 1.00 24.32 H new ATOM 1934 N PHE A 129 -8.039 -1.094 4.129 1.00 70.21 N ATOM 1935 CA PHE A 129 -7.837 -1.973 5.295 1.00 34.10 C ATOM 1936 C PHE A 129 -6.907 -1.318 6.316 1.00 32.12 C ATOM 1937 O PHE A 129 -6.899 -1.712 7.473 1.00 30.22 O ATOM 1938 CB PHE A 129 -7.273 -3.341 4.839 1.00 74.24 C ATOM 1939 CG PHE A 129 -5.874 -3.252 4.235 1.00 15.22 C ATOM 1940 CD1 PHE A 129 -5.682 -2.879 2.909 1.00 2.04 C ATOM 1941 CD2 PHE A 129 -4.748 -3.510 5.007 1.00 55.30 C ATOM 1942 CE1 PHE A 129 -4.413 -2.774 2.387 1.00 61.31 C ATOM 1943 CE2 PHE A 129 -3.493 -3.394 4.477 1.00 31.54 C ATOM 1944 CZ PHE A 129 -3.323 -3.034 3.167 1.00 63.10 C ATOM 0 H PHE A 129 -7.172 -0.758 3.709 1.00 70.21 H new ATOM 0 HA PHE A 129 -8.801 -2.136 5.777 1.00 34.10 H new ATOM 0 HB2 PHE A 129 -7.249 -4.018 5.693 1.00 74.24 H new ATOM 0 HB3 PHE A 129 -7.950 -3.778 4.105 1.00 74.24 H new ATOM 0 HD1 PHE A 129 -6.537 -2.670 2.283 1.00 2.04 H new ATOM 0 HD2 PHE A 129 -4.866 -3.806 6.039 1.00 55.30 H new ATOM 0 HE1 PHE A 129 -4.279 -2.484 1.355 1.00 61.31 H new ATOM 0 HE2 PHE A 129 -2.630 -3.588 5.096 1.00 31.54 H new ATOM 0 HZ PHE A 129 -2.329 -2.956 2.752 1.00 63.10 H new ATOM 1954 N GLY A 130 -6.108 -0.341 5.865 1.00 24.33 N ATOM 1955 CA GLY A 130 -5.118 0.321 6.708 1.00 4.01 C ATOM 1956 C GLY A 130 -5.142 1.826 6.544 1.00 22.01 C ATOM 1957 O GLY A 130 -5.785 2.351 5.632 1.00 62.12 O ATOM 0 H GLY A 130 -6.134 0.008 4.907 1.00 24.33 H new ATOM 0 HA2 GLY A 130 -5.304 0.068 7.752 1.00 4.01 H new ATOM 0 HA3 GLY A 130 -4.125 -0.054 6.462 1.00 4.01 H new ATOM 1961 N LYS A 131 -4.436 2.512 7.441 1.00 53.41 N ATOM 1962 CA LYS A 131 -4.273 3.973 7.411 1.00 33.15 C ATOM 1963 C LYS A 131 -2.942 4.343 8.077 1.00 30.04 C ATOM 1964 O LYS A 131 -2.607 3.789 9.127 1.00 21.25 O ATOM 1965 CB LYS A 131 -5.445 4.658 8.158 1.00 63.51 C ATOM 1966 CG LYS A 131 -5.413 6.210 8.144 1.00 33.33 C ATOM 1967 CD LYS A 131 -6.368 6.839 9.186 1.00 5.14 C ATOM 1968 CE LYS A 131 -5.993 6.455 10.631 1.00 31.45 C ATOM 1969 NZ LYS A 131 -6.848 7.132 11.639 1.00 52.24 N ATOM 0 H LYS A 131 -3.953 2.067 8.221 1.00 53.41 H new ATOM 0 HA LYS A 131 -4.274 4.316 6.376 1.00 33.15 H new ATOM 0 HB2 LYS A 131 -6.383 4.325 7.714 1.00 63.51 H new ATOM 0 HB3 LYS A 131 -5.444 4.319 9.194 1.00 63.51 H new ATOM 0 HG2 LYS A 131 -4.396 6.550 8.339 1.00 33.33 H new ATOM 0 HG3 LYS A 131 -5.683 6.565 7.150 1.00 33.33 H new ATOM 0 HD2 LYS A 131 -6.349 7.924 9.084 1.00 5.14 H new ATOM 0 HD3 LYS A 131 -7.389 6.517 8.980 1.00 5.14 H new ATOM 0 HE2 LYS A 131 -6.081 5.375 10.751 1.00 31.45 H new ATOM 0 HE3 LYS A 131 -4.949 6.712 10.813 1.00 31.45 H new ATOM 0 HZ1 LYS A 131 -6.556 6.841 12.594 1.00 52.24 H new ATOM 0 HZ2 LYS A 131 -6.746 8.163 11.545 1.00 52.24 H new ATOM 0 HZ3 LYS A 131 -7.842 6.867 11.485 1.00 52.24 H new ATOM 1983 N VAL A 132 -2.196 5.282 7.472 1.00 13.12 N ATOM 1984 CA VAL A 132 -0.918 5.757 8.020 1.00 3.22 C ATOM 1985 C VAL A 132 -1.183 6.604 9.277 1.00 74.13 C ATOM 1986 O VAL A 132 -1.773 7.689 9.191 1.00 2.55 O ATOM 1987 CB VAL A 132 -0.089 6.614 6.994 1.00 43.12 C ATOM 1988 CG1 VAL A 132 1.335 6.875 7.537 1.00 15.04 C ATOM 1989 CG2 VAL A 132 -0.034 5.949 5.608 1.00 53.02 C ATOM 0 H VAL A 132 -2.461 5.730 6.595 1.00 13.12 H new ATOM 0 HA VAL A 132 -0.328 4.872 8.259 1.00 3.22 H new ATOM 0 HB VAL A 132 -0.597 7.570 6.873 1.00 43.12 H new ATOM 0 HG11 VAL A 132 1.896 7.469 6.816 1.00 15.04 H new ATOM 0 HG12 VAL A 132 1.271 7.416 8.481 1.00 15.04 H new ATOM 0 HG13 VAL A 132 1.843 5.924 7.697 1.00 15.04 H new ATOM 0 HG21 VAL A 132 0.547 6.572 4.928 1.00 53.02 H new ATOM 0 HG22 VAL A 132 0.435 4.969 5.693 1.00 53.02 H new ATOM 0 HG23 VAL A 132 -1.046 5.834 5.219 1.00 53.02 H new ATOM 1999 N LYS A 133 -0.779 6.078 10.434 1.00 11.21 N ATOM 2000 CA LYS A 133 -0.918 6.767 11.724 1.00 25.24 C ATOM 2001 C LYS A 133 0.382 7.519 12.068 1.00 42.22 C ATOM 2002 O LYS A 133 0.346 8.636 12.595 1.00 72.21 O ATOM 2003 CB LYS A 133 -1.300 5.739 12.823 1.00 20.04 C ATOM 2004 CG LYS A 133 -0.306 4.564 12.999 1.00 75.32 C ATOM 2005 CD LYS A 133 -0.764 3.544 14.056 1.00 61.42 C ATOM 2006 CE LYS A 133 -0.945 4.164 15.446 1.00 3.14 C ATOM 2007 NZ LYS A 133 -1.471 3.181 16.418 1.00 51.55 N ATOM 0 H LYS A 133 -0.344 5.158 10.506 1.00 11.21 H new ATOM 0 HA LYS A 133 -1.715 7.508 11.663 1.00 25.24 H new ATOM 0 HB2 LYS A 133 -1.390 6.264 13.774 1.00 20.04 H new ATOM 0 HB3 LYS A 133 -2.283 5.331 12.590 1.00 20.04 H new ATOM 0 HG2 LYS A 133 -0.179 4.056 12.043 1.00 75.32 H new ATOM 0 HG3 LYS A 133 0.669 4.960 13.282 1.00 75.32 H new ATOM 0 HD2 LYS A 133 -1.706 3.097 13.738 1.00 61.42 H new ATOM 0 HD3 LYS A 133 -0.033 2.738 14.116 1.00 61.42 H new ATOM 0 HE2 LYS A 133 0.011 4.550 15.800 1.00 3.14 H new ATOM 0 HE3 LYS A 133 -1.627 5.012 15.381 1.00 3.14 H new ATOM 0 HZ1 LYS A 133 -1.283 3.514 17.385 1.00 51.55 H new ATOM 0 HZ2 LYS A 133 -2.496 3.073 16.282 1.00 51.55 H new ATOM 0 HZ3 LYS A 133 -1.004 2.263 16.271 1.00 51.55 H new ATOM 2021 N GLU A 134 1.528 6.901 11.730 1.00 1.45 N ATOM 2022 CA GLU A 134 2.870 7.444 12.008 1.00 65.24 C ATOM 2023 C GLU A 134 3.659 7.535 10.700 1.00 25.32 C ATOM 2024 O GLU A 134 3.605 6.614 9.886 1.00 32.21 O ATOM 2025 CB GLU A 134 3.616 6.537 13.024 1.00 34.32 C ATOM 2026 CG GLU A 134 2.951 6.437 14.416 1.00 11.00 C ATOM 2027 CD GLU A 134 2.985 7.765 15.198 1.00 61.54 C ATOM 2028 OE1 GLU A 134 3.997 8.042 15.875 1.00 30.31 O ATOM 2029 OE2 GLU A 134 2.012 8.548 15.134 1.00 13.32 O ATOM 0 H GLU A 134 1.549 6.001 11.251 1.00 1.45 H new ATOM 0 HA GLU A 134 2.775 8.439 12.442 1.00 65.24 H new ATOM 0 HB2 GLU A 134 3.697 5.535 12.603 1.00 34.32 H new ATOM 0 HB3 GLU A 134 4.631 6.914 13.148 1.00 34.32 H new ATOM 0 HG2 GLU A 134 1.915 6.119 14.296 1.00 11.00 H new ATOM 0 HG3 GLU A 134 3.455 5.666 14.999 1.00 11.00 H new ATOM 2036 N GLY A 135 4.364 8.660 10.502 1.00 42.30 N ATOM 2037 CA GLY A 135 5.244 8.848 9.351 1.00 32.11 C ATOM 2038 C GLY A 135 4.504 9.149 8.048 1.00 21.31 C ATOM 2039 O GLY A 135 5.007 8.829 6.970 1.00 5.03 O ATOM 0 H GLY A 135 4.336 9.459 11.136 1.00 42.30 H new ATOM 0 HA2 GLY A 135 5.933 9.665 9.563 1.00 32.11 H new ATOM 0 HA3 GLY A 135 5.846 7.950 9.216 1.00 32.11 H new ATOM 2043 N MET A 136 3.308 9.773 8.141 1.00 64.53 N ATOM 2044 CA MET A 136 2.558 10.248 6.948 1.00 12.32 C ATOM 2045 C MET A 136 3.357 11.350 6.216 1.00 34.50 C ATOM 2046 O MET A 136 3.225 11.535 5.000 1.00 12.42 O ATOM 2047 CB MET A 136 1.139 10.740 7.349 1.00 70.25 C ATOM 2048 CG MET A 136 0.281 11.217 6.160 1.00 42.54 C ATOM 2049 SD MET A 136 0.099 9.953 4.877 1.00 75.13 S ATOM 2050 CE MET A 136 -0.685 10.889 3.563 1.00 12.04 C ATOM 0 H MET A 136 2.839 9.961 9.027 1.00 64.53 H new ATOM 0 HA MET A 136 2.430 9.413 6.259 1.00 12.32 H new ATOM 0 HB2 MET A 136 0.616 9.931 7.860 1.00 70.25 H new ATOM 0 HB3 MET A 136 1.238 11.557 8.064 1.00 70.25 H new ATOM 0 HG2 MET A 136 -0.706 11.506 6.522 1.00 42.54 H new ATOM 0 HG3 MET A 136 0.734 12.108 5.725 1.00 42.54 H new ATOM 0 HE1 MET A 136 -1.359 10.239 3.006 1.00 12.04 H new ATOM 0 HE2 MET A 136 -1.251 11.716 3.993 1.00 12.04 H new ATOM 0 HE3 MET A 136 0.078 11.282 2.891 1.00 12.04 H new ATOM 2060 N ASN A 137 4.195 12.058 6.994 1.00 32.12 N ATOM 2061 CA ASN A 137 5.182 13.030 6.487 1.00 44.55 C ATOM 2062 C ASN A 137 6.117 12.356 5.452 1.00 53.41 C ATOM 2063 O ASN A 137 6.346 12.890 4.358 1.00 55.41 O ATOM 2064 CB ASN A 137 6.017 13.605 7.674 1.00 64.34 C ATOM 2065 CG ASN A 137 5.181 14.289 8.771 1.00 53.13 C ATOM 2066 OD1 ASN A 137 4.038 13.916 9.042 1.00 62.43 O ATOM 2067 ND2 ASN A 137 5.756 15.295 9.411 1.00 74.14 N ATOM 0 H ASN A 137 4.206 11.970 8.010 1.00 32.12 H new ATOM 0 HA ASN A 137 4.653 13.847 5.996 1.00 44.55 H new ATOM 0 HB2 ASN A 137 6.590 12.795 8.124 1.00 64.34 H new ATOM 0 HB3 ASN A 137 6.736 14.324 7.281 1.00 64.34 H new ATOM 0 HD21 ASN A 137 5.252 15.784 10.151 1.00 74.14 H new ATOM 0 HD22 ASN A 137 6.703 15.581 9.165 1.00 74.14 H new ATOM 2074 N ILE A 138 6.615 11.155 5.816 1.00 22.12 N ATOM 2075 CA ILE A 138 7.519 10.345 4.968 1.00 20.04 C ATOM 2076 C ILE A 138 6.780 9.811 3.716 1.00 11.32 C ATOM 2077 O ILE A 138 7.379 9.679 2.649 1.00 42.45 O ATOM 2078 CB ILE A 138 8.140 9.148 5.791 1.00 62.04 C ATOM 2079 CG1 ILE A 138 8.930 9.672 7.032 1.00 64.40 C ATOM 2080 CG2 ILE A 138 9.042 8.237 4.918 1.00 32.31 C ATOM 2081 CD1 ILE A 138 10.133 10.543 6.695 1.00 14.14 C ATOM 0 H ILE A 138 6.400 10.717 6.712 1.00 22.12 H new ATOM 0 HA ILE A 138 8.330 10.993 4.635 1.00 20.04 H new ATOM 0 HB ILE A 138 7.305 8.540 6.139 1.00 62.04 H new ATOM 0 HG12 ILE A 138 8.250 10.243 7.665 1.00 64.40 H new ATOM 0 HG13 ILE A 138 9.269 8.818 7.618 1.00 64.40 H new ATOM 0 HG21 ILE A 138 9.445 7.430 5.530 1.00 32.31 H new ATOM 0 HG22 ILE A 138 8.453 7.816 4.103 1.00 32.31 H new ATOM 0 HG23 ILE A 138 9.863 8.824 4.507 1.00 32.31 H new ATOM 0 HD11 ILE A 138 10.621 10.862 7.616 1.00 14.14 H new ATOM 0 HD12 ILE A 138 10.837 9.972 6.090 1.00 14.14 H new ATOM 0 HD13 ILE A 138 9.803 11.419 6.137 1.00 14.14 H new ATOM 2093 N VAL A 139 5.478 9.518 3.865 1.00 23.43 N ATOM 2094 CA VAL A 139 4.619 9.022 2.766 1.00 71.35 C ATOM 2095 C VAL A 139 4.440 10.101 1.666 1.00 64.25 C ATOM 2096 O VAL A 139 4.561 9.820 0.461 1.00 53.30 O ATOM 2097 CB VAL A 139 3.231 8.552 3.341 1.00 13.25 C ATOM 2098 CG1 VAL A 139 2.244 8.154 2.226 1.00 41.43 C ATOM 2099 CG2 VAL A 139 3.432 7.383 4.341 1.00 34.14 C ATOM 0 H VAL A 139 4.985 9.617 4.753 1.00 23.43 H new ATOM 0 HA VAL A 139 5.107 8.166 2.300 1.00 71.35 H new ATOM 0 HB VAL A 139 2.791 9.398 3.868 1.00 13.25 H new ATOM 0 HG11 VAL A 139 1.301 7.837 2.671 1.00 41.43 H new ATOM 0 HG12 VAL A 139 2.068 9.009 1.574 1.00 41.43 H new ATOM 0 HG13 VAL A 139 2.664 7.334 1.644 1.00 41.43 H new ATOM 0 HG21 VAL A 139 2.464 7.068 4.731 1.00 34.14 H new ATOM 0 HG22 VAL A 139 3.908 6.546 3.831 1.00 34.14 H new ATOM 0 HG23 VAL A 139 4.065 7.713 5.165 1.00 34.14 H new ATOM 2109 N GLU A 140 4.186 11.343 2.104 1.00 73.14 N ATOM 2110 CA GLU A 140 4.052 12.510 1.204 1.00 71.52 C ATOM 2111 C GLU A 140 5.427 12.956 0.670 1.00 40.20 C ATOM 2112 O GLU A 140 5.509 13.656 -0.347 1.00 74.01 O ATOM 2113 CB GLU A 140 3.333 13.665 1.940 1.00 4.43 C ATOM 2114 CG GLU A 140 1.898 13.309 2.374 1.00 42.32 C ATOM 2115 CD GLU A 140 1.227 14.414 3.200 1.00 0.55 C ATOM 2116 OE1 GLU A 140 1.451 14.467 4.427 1.00 31.33 O ATOM 2117 OE2 GLU A 140 0.481 15.241 2.628 1.00 71.41 O ATOM 0 H GLU A 140 4.067 11.572 3.091 1.00 73.14 H new ATOM 0 HA GLU A 140 3.448 12.221 0.344 1.00 71.52 H new ATOM 0 HB2 GLU A 140 3.913 13.943 2.820 1.00 4.43 H new ATOM 0 HB3 GLU A 140 3.302 14.539 1.289 1.00 4.43 H new ATOM 0 HG2 GLU A 140 1.296 13.110 1.488 1.00 42.32 H new ATOM 0 HG3 GLU A 140 1.919 12.389 2.958 1.00 42.32 H new ATOM 2124 N ALA A 141 6.502 12.553 1.378 1.00 52.12 N ATOM 2125 CA ALA A 141 7.882 12.722 0.900 1.00 1.01 C ATOM 2126 C ALA A 141 8.158 11.736 -0.253 1.00 31.30 C ATOM 2127 O ALA A 141 8.790 12.109 -1.245 1.00 62.24 O ATOM 2128 CB ALA A 141 8.885 12.526 2.048 1.00 63.43 C ATOM 0 H ALA A 141 6.435 12.104 2.291 1.00 52.12 H new ATOM 0 HA ALA A 141 8.005 13.738 0.526 1.00 1.01 H new ATOM 0 HB1 ALA A 141 9.899 12.656 1.671 1.00 63.43 H new ATOM 0 HB2 ALA A 141 8.692 13.261 2.830 1.00 63.43 H new ATOM 0 HB3 ALA A 141 8.776 11.522 2.459 1.00 63.43 H new ATOM 2134 N MET A 142 7.642 10.483 -0.114 1.00 12.32 N ATOM 2135 CA MET A 142 7.754 9.435 -1.159 1.00 10.02 C ATOM 2136 C MET A 142 7.057 9.892 -2.448 1.00 72.14 C ATOM 2137 O MET A 142 7.544 9.632 -3.556 1.00 13.50 O ATOM 2138 CB MET A 142 7.137 8.075 -0.706 1.00 32.34 C ATOM 2139 CG MET A 142 7.868 7.359 0.428 1.00 43.35 C ATOM 2140 SD MET A 142 7.303 5.650 0.625 1.00 50.22 S ATOM 2141 CE MET A 142 5.586 5.852 1.088 1.00 23.14 C ATOM 0 H MET A 142 7.141 10.176 0.720 1.00 12.32 H new ATOM 0 HA MET A 142 8.819 9.283 -1.337 1.00 10.02 H new ATOM 0 HB2 MET A 142 6.107 8.250 -0.396 1.00 32.34 H new ATOM 0 HB3 MET A 142 7.101 7.409 -1.568 1.00 32.34 H new ATOM 0 HG2 MET A 142 8.940 7.366 0.230 1.00 43.35 H new ATOM 0 HG3 MET A 142 7.712 7.902 1.360 1.00 43.35 H new ATOM 0 HE1 MET A 142 4.983 5.095 0.587 1.00 23.14 H new ATOM 0 HE2 MET A 142 5.485 5.740 2.168 1.00 23.14 H new ATOM 0 HE3 MET A 142 5.244 6.844 0.792 1.00 23.14 H new ATOM 2151 N GLU A 143 5.909 10.569 -2.262 1.00 51.45 N ATOM 2152 CA GLU A 143 5.110 11.164 -3.349 1.00 35.31 C ATOM 2153 C GLU A 143 5.974 12.056 -4.280 1.00 51.50 C ATOM 2154 O GLU A 143 5.840 12.009 -5.514 1.00 51.12 O ATOM 2155 CB GLU A 143 3.952 11.973 -2.729 1.00 13.22 C ATOM 2156 CG GLU A 143 3.028 12.666 -3.743 1.00 41.23 C ATOM 2157 CD GLU A 143 1.964 13.558 -3.091 1.00 1.02 C ATOM 2158 OE1 GLU A 143 2.321 14.379 -2.220 1.00 71.33 O ATOM 2159 OE2 GLU A 143 0.773 13.465 -3.459 1.00 72.21 O ATOM 0 H GLU A 143 5.504 10.720 -1.338 1.00 51.45 H new ATOM 0 HA GLU A 143 4.709 10.363 -3.970 1.00 35.31 H new ATOM 0 HB2 GLU A 143 3.352 11.305 -2.111 1.00 13.22 H new ATOM 0 HB3 GLU A 143 4.372 12.730 -2.066 1.00 13.22 H new ATOM 0 HG2 GLU A 143 3.632 13.270 -4.420 1.00 41.23 H new ATOM 0 HG3 GLU A 143 2.533 11.907 -4.349 1.00 41.23 H new ATOM 2166 N ARG A 144 6.894 12.826 -3.664 1.00 32.13 N ATOM 2167 CA ARG A 144 7.779 13.763 -4.378 1.00 43.11 C ATOM 2168 C ARG A 144 8.864 13.027 -5.195 1.00 71.24 C ATOM 2169 O ARG A 144 9.371 13.574 -6.182 1.00 35.43 O ATOM 2170 CB ARG A 144 8.437 14.759 -3.390 1.00 52.42 C ATOM 2171 CG ARG A 144 7.430 15.573 -2.543 1.00 43.00 C ATOM 2172 CD ARG A 144 8.075 16.809 -1.895 1.00 33.55 C ATOM 2173 NE ARG A 144 8.534 17.768 -2.925 1.00 63.20 N ATOM 2174 CZ ARG A 144 9.000 19.007 -2.699 1.00 72.03 C ATOM 2175 NH1 ARG A 144 9.100 19.504 -1.466 1.00 1.31 N ATOM 2176 NH2 ARG A 144 9.352 19.756 -3.731 1.00 40.24 N ATOM 0 H ARG A 144 7.043 12.814 -2.655 1.00 32.13 H new ATOM 0 HA ARG A 144 7.157 14.318 -5.080 1.00 43.11 H new ATOM 0 HB2 ARG A 144 9.095 14.206 -2.719 1.00 52.42 H new ATOM 0 HB3 ARG A 144 9.064 15.451 -3.953 1.00 52.42 H new ATOM 0 HG2 ARG A 144 6.600 15.889 -3.175 1.00 43.00 H new ATOM 0 HG3 ARG A 144 7.013 14.934 -1.765 1.00 43.00 H new ATOM 0 HD2 ARG A 144 7.357 17.295 -1.235 1.00 33.55 H new ATOM 0 HD3 ARG A 144 8.919 16.502 -1.277 1.00 33.55 H new ATOM 0 HE ARG A 144 8.492 17.459 -3.896 1.00 63.20 H new ATOM 0 HH11 ARG A 144 8.819 18.940 -0.664 1.00 1.31 H new ATOM 0 HH12 ARG A 144 9.458 20.449 -1.324 1.00 1.31 H new ATOM 0 HH21 ARG A 144 9.267 19.390 -4.679 1.00 40.24 H new ATOM 0 HH22 ARG A 144 9.708 20.700 -3.578 1.00 40.24 H new ATOM 2190 N PHE A 145 9.224 11.791 -4.774 1.00 61.13 N ATOM 2191 CA PHE A 145 10.183 10.940 -5.516 1.00 71.41 C ATOM 2192 C PHE A 145 9.484 10.181 -6.665 1.00 4.44 C ATOM 2193 O PHE A 145 10.126 9.380 -7.340 1.00 71.43 O ATOM 2194 CB PHE A 145 10.882 9.919 -4.576 1.00 73.12 C ATOM 2195 CG PHE A 145 11.768 10.530 -3.494 1.00 31.22 C ATOM 2196 CD1 PHE A 145 13.041 11.011 -3.802 1.00 45.44 C ATOM 2197 CD2 PHE A 145 11.338 10.612 -2.168 1.00 3.04 C ATOM 2198 CE1 PHE A 145 13.853 11.545 -2.820 1.00 24.34 C ATOM 2199 CE2 PHE A 145 12.149 11.150 -1.190 1.00 54.31 C ATOM 2200 CZ PHE A 145 13.405 11.619 -1.516 1.00 74.12 C ATOM 0 H PHE A 145 8.863 11.361 -3.922 1.00 61.13 H new ATOM 0 HA PHE A 145 10.937 11.606 -5.936 1.00 71.41 H new ATOM 0 HB2 PHE A 145 10.117 9.310 -4.095 1.00 73.12 H new ATOM 0 HB3 PHE A 145 11.489 9.247 -5.183 1.00 73.12 H new ATOM 0 HD1 PHE A 145 13.396 10.965 -4.821 1.00 45.44 H new ATOM 0 HD2 PHE A 145 10.356 10.249 -1.904 1.00 3.04 H new ATOM 0 HE1 PHE A 145 14.839 11.905 -3.073 1.00 24.34 H new ATOM 0 HE2 PHE A 145 11.801 11.204 -0.169 1.00 54.31 H new ATOM 0 HZ PHE A 145 14.038 12.044 -0.751 1.00 74.12 H new ATOM 2210 N GLY A 146 8.171 10.418 -6.867 1.00 13.24 N ATOM 2211 CA GLY A 146 7.428 9.817 -7.981 1.00 15.04 C ATOM 2212 C GLY A 146 7.381 10.709 -9.209 1.00 63.45 C ATOM 2213 O GLY A 146 7.830 11.862 -9.165 1.00 43.02 O ATOM 0 H GLY A 146 7.608 11.023 -6.269 1.00 13.24 H new ATOM 0 HA2 GLY A 146 7.888 8.865 -8.247 1.00 15.04 H new ATOM 0 HA3 GLY A 146 6.410 9.599 -7.657 1.00 15.04 H new ATOM 2217 N SER A 147 6.832 10.170 -10.306 1.00 15.34 N ATOM 2218 CA SER A 147 6.674 10.889 -11.587 1.00 23.43 C ATOM 2219 C SER A 147 5.266 10.641 -12.163 1.00 12.33 C ATOM 2220 O SER A 147 4.542 9.742 -11.718 1.00 0.25 O ATOM 2221 CB SER A 147 7.776 10.465 -12.590 1.00 32.51 C ATOM 2222 OG SER A 147 7.686 11.188 -13.809 1.00 13.44 O ATOM 0 H SER A 147 6.480 9.213 -10.334 1.00 15.34 H new ATOM 0 HA SER A 147 6.785 11.959 -11.408 1.00 23.43 H new ATOM 0 HB2 SER A 147 8.757 10.627 -12.143 1.00 32.51 H new ATOM 0 HB3 SER A 147 7.691 9.398 -12.793 1.00 32.51 H new ATOM 0 HG SER A 147 7.472 10.571 -14.540 1.00 13.44 H new ATOM 2228 N ARG A 148 4.906 11.441 -13.179 1.00 13.45 N ATOM 2229 CA ARG A 148 3.551 11.457 -13.771 1.00 65.53 C ATOM 2230 C ARG A 148 3.281 10.214 -14.638 1.00 32.13 C ATOM 2231 O ARG A 148 2.123 9.810 -14.808 1.00 12.30 O ATOM 2232 CB ARG A 148 3.353 12.750 -14.598 1.00 54.20 C ATOM 2233 CG ARG A 148 3.546 14.050 -13.786 1.00 50.43 C ATOM 2234 CD ARG A 148 2.550 14.189 -12.615 1.00 2.13 C ATOM 2235 NE ARG A 148 2.780 15.432 -11.853 1.00 43.45 N ATOM 2236 CZ ARG A 148 1.866 16.076 -11.110 1.00 53.14 C ATOM 2237 NH1 ARG A 148 0.622 15.618 -10.999 1.00 14.24 N ATOM 2238 NH2 ARG A 148 2.205 17.186 -10.474 1.00 60.21 N ATOM 0 H ARG A 148 5.548 12.101 -13.618 1.00 13.45 H new ATOM 0 HA ARG A 148 2.831 11.437 -12.952 1.00 65.53 H new ATOM 0 HB2 ARG A 148 4.055 12.747 -15.432 1.00 54.20 H new ATOM 0 HB3 ARG A 148 2.350 12.746 -15.025 1.00 54.20 H new ATOM 0 HG2 ARG A 148 4.563 14.079 -13.395 1.00 50.43 H new ATOM 0 HG3 ARG A 148 3.436 14.906 -14.452 1.00 50.43 H new ATOM 0 HD2 ARG A 148 1.530 14.181 -13.000 1.00 2.13 H new ATOM 0 HD3 ARG A 148 2.646 13.331 -11.950 1.00 2.13 H new ATOM 0 HE ARG A 148 3.715 15.837 -11.895 1.00 43.45 H new ATOM 0 HH11 ARG A 148 0.348 14.763 -11.483 1.00 14.24 H new ATOM 0 HH12 ARG A 148 -0.058 16.122 -10.430 1.00 14.24 H new ATOM 0 HH21 ARG A 148 3.156 17.547 -10.550 1.00 60.21 H new ATOM 0 HH22 ARG A 148 1.515 17.680 -9.908 1.00 60.21 H new ATOM 2252 N ASN A 149 4.360 9.614 -15.189 1.00 43.22 N ATOM 2253 CA ASN A 149 4.281 8.348 -15.953 1.00 54.25 C ATOM 2254 C ASN A 149 4.133 7.139 -15.006 1.00 10.23 C ATOM 2255 O ASN A 149 3.971 6.002 -15.464 1.00 32.43 O ATOM 2256 CB ASN A 149 5.524 8.171 -16.877 1.00 32.24 C ATOM 2257 CG ASN A 149 6.851 7.948 -16.133 1.00 4.35 C ATOM 2258 OD1 ASN A 149 7.065 8.460 -15.037 1.00 24.24 O ATOM 2259 ND2 ASN A 149 7.751 7.165 -16.722 1.00 31.11 N ATOM 0 H ASN A 149 5.305 9.991 -15.117 1.00 43.22 H new ATOM 0 HA ASN A 149 3.394 8.398 -16.584 1.00 54.25 H new ATOM 0 HB2 ASN A 149 5.349 7.324 -17.541 1.00 32.24 H new ATOM 0 HB3 ASN A 149 5.620 9.055 -17.507 1.00 32.24 H new ATOM 0 HD21 ASN A 149 8.643 6.978 -16.263 1.00 31.11 H new ATOM 0 HD22 ASN A 149 7.549 6.752 -17.632 1.00 31.11 H new ATOM 2266 N GLY A 150 4.205 7.398 -13.685 1.00 60.40 N ATOM 2267 CA GLY A 150 4.040 6.368 -12.664 1.00 63.41 C ATOM 2268 C GLY A 150 5.367 5.908 -12.083 1.00 44.24 C ATOM 2269 O GLY A 150 5.395 5.331 -10.998 1.00 51.15 O ATOM 0 H GLY A 150 4.379 8.329 -13.306 1.00 60.40 H new ATOM 0 HA2 GLY A 150 3.410 6.753 -11.862 1.00 63.41 H new ATOM 0 HA3 GLY A 150 3.520 5.513 -13.096 1.00 63.41 H new ATOM 2273 N LYS A 151 6.472 6.152 -12.813 1.00 4.45 N ATOM 2274 CA LYS A 151 7.820 5.701 -12.402 1.00 71.44 C ATOM 2275 C LYS A 151 8.320 6.518 -11.199 1.00 12.14 C ATOM 2276 O LYS A 151 7.910 7.663 -11.004 1.00 65.12 O ATOM 2277 CB LYS A 151 8.820 5.842 -13.583 1.00 54.11 C ATOM 2278 CG LYS A 151 10.214 5.210 -13.325 1.00 15.41 C ATOM 2279 CD LYS A 151 11.269 5.587 -14.387 1.00 13.04 C ATOM 2280 CE LYS A 151 11.580 7.095 -14.401 1.00 44.11 C ATOM 2281 NZ LYS A 151 12.650 7.430 -15.377 1.00 44.03 N ATOM 0 H LYS A 151 6.459 6.662 -13.696 1.00 4.45 H new ATOM 0 HA LYS A 151 7.755 4.652 -12.113 1.00 71.44 H new ATOM 0 HB2 LYS A 151 8.384 5.380 -14.469 1.00 54.11 H new ATOM 0 HB3 LYS A 151 8.951 6.901 -13.807 1.00 54.11 H new ATOM 0 HG2 LYS A 151 10.570 5.524 -12.344 1.00 15.41 H new ATOM 0 HG3 LYS A 151 10.112 4.125 -13.295 1.00 15.41 H new ATOM 0 HD2 LYS A 151 12.187 5.032 -14.195 1.00 13.04 H new ATOM 0 HD3 LYS A 151 10.913 5.284 -15.372 1.00 13.04 H new ATOM 0 HE2 LYS A 151 10.675 7.650 -14.649 1.00 44.11 H new ATOM 0 HE3 LYS A 151 11.885 7.412 -13.404 1.00 44.11 H new ATOM 0 HZ1 LYS A 151 12.830 8.454 -15.357 1.00 44.03 H new ATOM 0 HZ2 LYS A 151 13.521 6.920 -15.126 1.00 44.03 H new ATOM 0 HZ3 LYS A 151 12.348 7.151 -16.332 1.00 44.03 H new ATOM 2295 N THR A 152 9.201 5.915 -10.400 1.00 32.41 N ATOM 2296 CA THR A 152 9.893 6.600 -9.311 1.00 32.12 C ATOM 2297 C THR A 152 11.266 7.099 -9.808 1.00 55.22 C ATOM 2298 O THR A 152 11.978 6.374 -10.511 1.00 71.15 O ATOM 2299 CB THR A 152 10.070 5.644 -8.088 1.00 12.30 C ATOM 2300 OG1 THR A 152 10.879 4.504 -8.446 1.00 63.44 O ATOM 2301 CG2 THR A 152 8.720 5.144 -7.562 1.00 22.45 C ATOM 0 H THR A 152 9.455 4.931 -10.492 1.00 32.41 H new ATOM 0 HA THR A 152 9.296 7.454 -8.990 1.00 32.12 H new ATOM 0 HB THR A 152 10.564 6.219 -7.304 1.00 12.30 H new ATOM 0 HG1 THR A 152 10.980 3.917 -7.667 1.00 63.44 H new ATOM 0 HG21 THR A 152 8.883 4.482 -6.712 1.00 22.45 H new ATOM 0 HG22 THR A 152 8.114 5.994 -7.249 1.00 22.45 H new ATOM 0 HG23 THR A 152 8.201 4.600 -8.351 1.00 22.45 H new ATOM 2309 N SER A 153 11.598 8.359 -9.488 1.00 24.13 N ATOM 2310 CA SER A 153 12.932 8.937 -9.726 1.00 31.14 C ATOM 2311 C SER A 153 13.992 8.231 -8.853 1.00 22.10 C ATOM 2312 O SER A 153 15.134 8.035 -9.280 1.00 42.00 O ATOM 2313 CB SER A 153 12.908 10.448 -9.424 1.00 30.04 C ATOM 2314 OG SER A 153 11.916 11.107 -10.196 1.00 33.10 O ATOM 0 H SER A 153 10.945 9.011 -9.054 1.00 24.13 H new ATOM 0 HA SER A 153 13.198 8.789 -10.773 1.00 31.14 H new ATOM 0 HB2 SER A 153 12.713 10.607 -8.363 1.00 30.04 H new ATOM 0 HB3 SER A 153 13.886 10.880 -9.637 1.00 30.04 H new ATOM 0 HG SER A 153 11.920 12.064 -9.985 1.00 33.10 H new ATOM 2320 N LYS A 154 13.589 7.857 -7.621 1.00 21.13 N ATOM 2321 CA LYS A 154 14.425 7.081 -6.680 1.00 2.41 C ATOM 2322 C LYS A 154 13.693 5.797 -6.286 1.00 22.51 C ATOM 2323 O LYS A 154 12.480 5.818 -6.047 1.00 72.11 O ATOM 2324 CB LYS A 154 14.755 7.896 -5.408 1.00 33.15 C ATOM 2325 CG LYS A 154 15.649 9.135 -5.626 1.00 10.10 C ATOM 2326 CD LYS A 154 16.953 8.808 -6.406 1.00 1.51 C ATOM 2327 CE LYS A 154 18.078 9.820 -6.148 1.00 64.43 C ATOM 2328 NZ LYS A 154 18.546 9.773 -4.733 1.00 62.12 N ATOM 0 H LYS A 154 12.668 8.086 -7.248 1.00 21.13 H new ATOM 0 HA LYS A 154 15.363 6.841 -7.181 1.00 2.41 H new ATOM 0 HB2 LYS A 154 13.819 8.220 -4.953 1.00 33.15 H new ATOM 0 HB3 LYS A 154 15.246 7.237 -4.692 1.00 33.15 H new ATOM 0 HG2 LYS A 154 15.086 9.892 -6.171 1.00 10.10 H new ATOM 0 HG3 LYS A 154 15.908 9.565 -4.659 1.00 10.10 H new ATOM 0 HD2 LYS A 154 17.297 7.812 -6.126 1.00 1.51 H new ATOM 0 HD3 LYS A 154 16.734 8.781 -7.473 1.00 1.51 H new ATOM 0 HE2 LYS A 154 18.915 9.613 -6.815 1.00 64.43 H new ATOM 0 HE3 LYS A 154 17.725 10.824 -6.382 1.00 64.43 H new ATOM 0 HZ1 LYS A 154 18.312 10.669 -4.260 1.00 62.12 H new ATOM 0 HZ2 LYS A 154 18.077 8.987 -4.238 1.00 62.12 H new ATOM 0 HZ3 LYS A 154 19.576 9.630 -4.713 1.00 62.12 H new ATOM 2342 N LYS A 155 14.446 4.690 -6.202 1.00 21.21 N ATOM 2343 CA LYS A 155 13.896 3.370 -5.876 1.00 34.11 C ATOM 2344 C LYS A 155 13.659 3.265 -4.360 1.00 21.14 C ATOM 2345 O LYS A 155 14.595 3.051 -3.578 1.00 4.02 O ATOM 2346 CB LYS A 155 14.832 2.222 -6.368 1.00 54.53 C ATOM 2347 CG LYS A 155 14.122 0.849 -6.513 1.00 71.54 C ATOM 2348 CD LYS A 155 12.992 0.889 -7.578 1.00 25.33 C ATOM 2349 CE LYS A 155 13.506 1.277 -8.981 1.00 12.12 C ATOM 2350 NZ LYS A 155 12.413 1.385 -9.973 1.00 3.13 N ATOM 0 H LYS A 155 15.454 4.687 -6.359 1.00 21.21 H new ATOM 0 HA LYS A 155 12.944 3.258 -6.396 1.00 34.11 H new ATOM 0 HB2 LYS A 155 15.259 2.502 -7.331 1.00 54.53 H new ATOM 0 HB3 LYS A 155 15.662 2.119 -5.669 1.00 54.53 H new ATOM 0 HG2 LYS A 155 14.854 0.090 -6.789 1.00 71.54 H new ATOM 0 HG3 LYS A 155 13.703 0.554 -5.551 1.00 71.54 H new ATOM 0 HD2 LYS A 155 12.512 -0.089 -7.629 1.00 25.33 H new ATOM 0 HD3 LYS A 155 12.229 1.602 -7.265 1.00 25.33 H new ATOM 0 HE2 LYS A 155 14.034 2.229 -8.921 1.00 12.12 H new ATOM 0 HE3 LYS A 155 14.227 0.533 -9.319 1.00 12.12 H new ATOM 0 HZ1 LYS A 155 12.809 1.647 -10.898 1.00 3.13 H new ATOM 0 HZ2 LYS A 155 11.924 0.470 -10.052 1.00 3.13 H new ATOM 0 HZ3 LYS A 155 11.737 2.113 -9.667 1.00 3.13 H new ATOM 2364 N ILE A 156 12.401 3.465 -3.961 1.00 24.43 N ATOM 2365 CA ILE A 156 11.982 3.397 -2.561 1.00 75.12 C ATOM 2366 C ILE A 156 11.584 1.949 -2.231 1.00 1.31 C ATOM 2367 O ILE A 156 10.813 1.344 -2.958 1.00 71.33 O ATOM 2368 CB ILE A 156 10.803 4.401 -2.292 1.00 55.10 C ATOM 2369 CG1 ILE A 156 11.241 5.838 -2.729 1.00 73.32 C ATOM 2370 CG2 ILE A 156 10.354 4.366 -0.806 1.00 61.55 C ATOM 2371 CD1 ILE A 156 10.192 6.912 -2.560 1.00 35.40 C ATOM 0 H ILE A 156 11.640 3.680 -4.605 1.00 24.43 H new ATOM 0 HA ILE A 156 12.806 3.689 -1.910 1.00 75.12 H new ATOM 0 HB ILE A 156 9.938 4.101 -2.883 1.00 55.10 H new ATOM 0 HG12 ILE A 156 12.123 6.121 -2.155 1.00 73.32 H new ATOM 0 HG13 ILE A 156 11.539 5.806 -3.777 1.00 73.32 H new ATOM 0 HG21 ILE A 156 9.537 5.072 -0.656 1.00 61.55 H new ATOM 0 HG22 ILE A 156 10.016 3.361 -0.552 1.00 61.55 H new ATOM 0 HG23 ILE A 156 11.193 4.640 -0.166 1.00 61.55 H new ATOM 0 HD11 ILE A 156 10.595 7.869 -2.891 1.00 35.40 H new ATOM 0 HD12 ILE A 156 9.315 6.661 -3.157 1.00 35.40 H new ATOM 0 HD13 ILE A 156 9.908 6.981 -1.510 1.00 35.40 H new ATOM 2383 N THR A 157 12.189 1.394 -1.182 1.00 24.11 N ATOM 2384 CA THR A 157 11.958 0.031 -0.695 1.00 14.14 C ATOM 2385 C THR A 157 11.514 0.074 0.780 1.00 12.24 C ATOM 2386 O THR A 157 11.532 1.133 1.417 1.00 52.24 O ATOM 2387 CB THR A 157 13.282 -0.797 -0.819 1.00 54.25 C ATOM 2388 OG1 THR A 157 14.326 -0.137 -0.077 1.00 12.13 O ATOM 2389 CG2 THR A 157 13.731 -0.969 -2.288 1.00 72.11 C ATOM 0 H THR A 157 12.880 1.898 -0.626 1.00 24.11 H new ATOM 0 HA THR A 157 11.176 -0.439 -1.292 1.00 14.14 H new ATOM 0 HB THR A 157 13.089 -1.791 -0.415 1.00 54.25 H new ATOM 0 HG1 THR A 157 14.961 -0.804 0.259 1.00 12.13 H new ATOM 0 HG21 THR A 157 14.653 -1.550 -2.321 1.00 72.11 H new ATOM 0 HG22 THR A 157 12.954 -1.490 -2.847 1.00 72.11 H new ATOM 0 HG23 THR A 157 13.903 0.011 -2.733 1.00 72.11 H new ATOM 2397 N ILE A 158 11.083 -1.082 1.304 1.00 21.04 N ATOM 2398 CA ILE A 158 10.905 -1.285 2.749 1.00 51.10 C ATOM 2399 C ILE A 158 12.226 -1.840 3.321 1.00 34.25 C ATOM 2400 O ILE A 158 12.650 -2.940 2.957 1.00 14.31 O ATOM 2401 CB ILE A 158 9.702 -2.259 3.061 1.00 25.23 C ATOM 2402 CG1 ILE A 158 8.349 -1.617 2.601 1.00 71.32 C ATOM 2403 CG2 ILE A 158 9.661 -2.646 4.563 1.00 34.32 C ATOM 2404 CD1 ILE A 158 7.118 -2.492 2.794 1.00 21.33 C ATOM 0 H ILE A 158 10.849 -1.900 0.741 1.00 21.04 H new ATOM 0 HA ILE A 158 10.660 -0.333 3.220 1.00 51.10 H new ATOM 0 HB ILE A 158 9.854 -3.179 2.497 1.00 25.23 H new ATOM 0 HG12 ILE A 158 8.203 -0.686 3.148 1.00 71.32 H new ATOM 0 HG13 ILE A 158 8.429 -1.357 1.545 1.00 71.32 H new ATOM 0 HG21 ILE A 158 8.821 -3.317 4.743 1.00 34.32 H new ATOM 0 HG22 ILE A 158 10.590 -3.147 4.835 1.00 34.32 H new ATOM 0 HG23 ILE A 158 9.543 -1.747 5.167 1.00 34.32 H new ATOM 0 HD11 ILE A 158 6.234 -1.958 2.446 1.00 21.33 H new ATOM 0 HD12 ILE A 158 7.234 -3.414 2.224 1.00 21.33 H new ATOM 0 HD13 ILE A 158 7.004 -2.731 3.851 1.00 21.33 H new ATOM 2416 N ALA A 159 12.886 -1.037 4.165 1.00 5.25 N ATOM 2417 CA ALA A 159 14.142 -1.411 4.845 1.00 21.22 C ATOM 2418 C ALA A 159 13.936 -2.602 5.810 1.00 21.25 C ATOM 2419 O ALA A 159 14.642 -3.619 5.716 1.00 11.14 O ATOM 2420 CB ALA A 159 14.718 -0.192 5.596 1.00 32.30 C ATOM 0 H ALA A 159 12.563 -0.098 4.400 1.00 5.25 H new ATOM 0 HA ALA A 159 14.856 -1.730 4.085 1.00 21.22 H new ATOM 0 HB1 ALA A 159 15.644 -0.476 6.095 1.00 32.30 H new ATOM 0 HB2 ALA A 159 14.920 0.611 4.886 1.00 32.30 H new ATOM 0 HB3 ALA A 159 13.997 0.152 6.338 1.00 32.30 H new ATOM 2426 N ASP A 160 12.938 -2.478 6.702 1.00 42.11 N ATOM 2427 CA ASP A 160 12.692 -3.467 7.775 1.00 72.42 C ATOM 2428 C ASP A 160 11.218 -3.375 8.247 1.00 1.31 C ATOM 2429 O ASP A 160 10.476 -2.492 7.812 1.00 53.45 O ATOM 2430 CB ASP A 160 13.716 -3.225 8.930 1.00 73.51 C ATOM 2431 CG ASP A 160 13.822 -4.362 9.961 1.00 13.24 C ATOM 2432 OD1 ASP A 160 14.493 -5.373 9.675 1.00 40.12 O ATOM 2433 OD2 ASP A 160 13.218 -4.269 11.045 1.00 32.44 O ATOM 0 H ASP A 160 12.282 -1.697 6.703 1.00 42.11 H new ATOM 0 HA ASP A 160 12.841 -4.483 7.408 1.00 72.42 H new ATOM 0 HB2 ASP A 160 14.701 -3.060 8.492 1.00 73.51 H new ATOM 0 HB3 ASP A 160 13.441 -2.308 9.451 1.00 73.51 H new ATOM 2438 N CYS A 161 10.819 -4.308 9.118 1.00 1.50 N ATOM 2439 CA CYS A 161 9.435 -4.494 9.594 1.00 22.31 C ATOM 2440 C CYS A 161 9.449 -4.685 11.121 1.00 40.22 C ATOM 2441 O CYS A 161 10.468 -4.424 11.767 1.00 45.54 O ATOM 2442 CB CYS A 161 8.801 -5.701 8.859 1.00 23.44 C ATOM 2443 SG CYS A 161 9.747 -7.235 8.985 1.00 30.32 S ATOM 0 H CYS A 161 11.469 -4.979 9.527 1.00 1.50 H new ATOM 0 HA CYS A 161 8.828 -3.616 9.374 1.00 22.31 H new ATOM 0 HB2 CYS A 161 7.802 -5.871 9.260 1.00 23.44 H new ATOM 0 HB3 CYS A 161 8.682 -5.447 7.806 1.00 23.44 H new ATOM 0 HG CYS A 161 9.130 -8.180 8.339 1.00 30.32 H new ATOM 2449 N GLY A 162 8.325 -5.132 11.707 1.00 41.13 N ATOM 2450 CA GLY A 162 8.193 -5.205 13.169 1.00 41.42 C ATOM 2451 C GLY A 162 6.864 -4.666 13.655 1.00 3.33 C ATOM 2452 O GLY A 162 6.827 -3.775 14.499 1.00 71.01 O ATOM 0 H GLY A 162 7.501 -5.446 11.194 1.00 41.13 H new ATOM 0 HA2 GLY A 162 8.301 -6.241 13.490 1.00 41.42 H new ATOM 0 HA3 GLY A 162 9.002 -4.641 13.633 1.00 41.42 H new ATOM 2456 N GLN A 163 5.777 -5.214 13.062 1.00 31.42 N ATOM 2457 CA GLN A 163 4.373 -4.855 13.361 1.00 10.42 C ATOM 2458 C GLN A 163 4.107 -4.815 14.885 1.00 51.00 C ATOM 2459 O GLN A 163 4.006 -5.856 15.543 1.00 64.35 O ATOM 2460 CB GLN A 163 3.422 -5.870 12.658 1.00 21.31 C ATOM 2461 CG GLN A 163 1.912 -5.654 12.921 1.00 1.00 C ATOM 2462 CD GLN A 163 0.990 -6.460 12.001 1.00 61.50 C ATOM 2463 OE1 GLN A 163 -0.116 -6.833 12.384 1.00 61.41 O ATOM 2464 NE2 GLN A 163 1.410 -6.686 10.761 1.00 21.45 N ATOM 0 H GLN A 163 5.856 -5.935 12.345 1.00 31.42 H new ATOM 0 HA GLN A 163 4.180 -3.853 12.978 1.00 10.42 H new ATOM 0 HB2 GLN A 163 3.597 -5.822 11.583 1.00 21.31 H new ATOM 0 HB3 GLN A 163 3.690 -6.876 12.980 1.00 21.31 H new ATOM 0 HG2 GLN A 163 1.694 -5.918 13.956 1.00 1.00 H new ATOM 0 HG3 GLN A 163 1.683 -4.594 12.807 1.00 1.00 H new ATOM 0 HE21 GLN A 163 2.333 -6.365 10.469 1.00 21.45 H new ATOM 0 HE22 GLN A 163 0.809 -7.180 10.101 1.00 21.45 H new ATOM 2473 N LEU A 164 4.035 -3.580 15.412 1.00 20.02 N ATOM 2474 CA LEU A 164 3.916 -3.300 16.847 1.00 31.45 C ATOM 2475 C LEU A 164 2.520 -3.682 17.366 1.00 33.10 C ATOM 2476 O LEU A 164 1.507 -3.201 16.848 1.00 3.01 O ATOM 2477 CB LEU A 164 4.193 -1.792 17.119 1.00 42.25 C ATOM 2478 CG LEU A 164 5.577 -1.250 16.642 1.00 31.42 C ATOM 2479 CD1 LEU A 164 5.711 0.262 16.910 1.00 12.51 C ATOM 2480 CD2 LEU A 164 6.735 -2.038 17.288 1.00 41.20 C ATOM 0 H LEU A 164 4.059 -2.736 14.839 1.00 20.02 H new ATOM 0 HA LEU A 164 4.654 -3.902 17.377 1.00 31.45 H new ATOM 0 HB2 LEU A 164 3.411 -1.207 16.636 1.00 42.25 H new ATOM 0 HB3 LEU A 164 4.107 -1.615 18.191 1.00 42.25 H new ATOM 0 HG LEU A 164 5.636 -1.397 15.564 1.00 31.42 H new ATOM 0 HD11 LEU A 164 6.686 0.607 16.566 1.00 12.51 H new ATOM 0 HD12 LEU A 164 4.927 0.797 16.375 1.00 12.51 H new ATOM 0 HD13 LEU A 164 5.615 0.452 17.979 1.00 12.51 H new ATOM 0 HD21 LEU A 164 7.687 -1.639 16.938 1.00 41.20 H new ATOM 0 HD22 LEU A 164 6.679 -1.943 18.372 1.00 41.20 H new ATOM 0 HD23 LEU A 164 6.659 -3.089 17.011 1.00 41.20 H new ATOM 2540 N PRO B 218 -1.176 -2.776 -12.793 1.00 41.44 N ATOM 2541 CA PRO B 218 -2.285 -3.183 -11.897 1.00 62.32 C ATOM 2542 C PRO B 218 -2.397 -2.232 -10.673 1.00 65.30 C ATOM 2543 O PRO B 218 -1.582 -2.287 -9.745 1.00 62.23 O ATOM 2544 CB PRO B 218 -1.931 -4.649 -11.493 1.00 3.21 C ATOM 2545 CG PRO B 218 -0.456 -4.787 -11.763 1.00 33.41 C ATOM 2546 CD PRO B 218 -0.143 -3.843 -12.909 1.00 20.03 C ATOM 0 HA PRO B 218 -3.263 -3.126 -12.376 1.00 62.32 H new ATOM 0 HB2 PRO B 218 -2.158 -4.834 -10.443 1.00 3.21 H new ATOM 0 HB3 PRO B 218 -2.507 -5.368 -12.075 1.00 3.21 H new ATOM 0 HG2 PRO B 218 0.127 -4.531 -10.878 1.00 33.41 H new ATOM 0 HG3 PRO B 218 -0.203 -5.814 -12.025 1.00 33.41 H new ATOM 0 HD2 PRO B 218 0.864 -3.434 -12.825 1.00 20.03 H new ATOM 0 HD3 PRO B 218 -0.201 -4.351 -13.871 1.00 20.03 H new ATOM 2554 N GLY B 219 -3.392 -1.331 -10.742 1.00 4.24 N ATOM 2555 CA GLY B 219 -3.648 -0.321 -9.717 1.00 24.20 C ATOM 2556 C GLY B 219 -4.540 0.806 -10.249 1.00 31.41 C ATOM 2557 O GLY B 219 -4.638 0.977 -11.472 1.00 74.11 O ATOM 0 H GLY B 219 -4.046 -1.289 -11.524 1.00 4.24 H new ATOM 0 HA2 GLY B 219 -4.125 -0.788 -8.856 1.00 24.20 H new ATOM 0 HA3 GLY B 219 -2.702 0.095 -9.371 1.00 24.20 H new ATOM 2561 N PRO B 220 -5.205 1.603 -9.347 1.00 22.52 N ATOM 2562 CA PRO B 220 -6.102 2.732 -9.747 1.00 14.23 C ATOM 2563 C PRO B 220 -5.380 3.893 -10.473 1.00 72.12 C ATOM 2564 O PRO B 220 -4.144 3.953 -10.508 1.00 42.12 O ATOM 2565 CB PRO B 220 -6.705 3.209 -8.395 1.00 73.11 C ATOM 2566 CG PRO B 220 -6.481 2.071 -7.447 1.00 61.04 C ATOM 2567 CD PRO B 220 -5.167 1.455 -7.870 1.00 13.11 C ATOM 0 HA PRO B 220 -6.842 2.402 -10.476 1.00 14.23 H new ATOM 0 HB2 PRO B 220 -6.216 4.117 -8.043 1.00 73.11 H new ATOM 0 HB3 PRO B 220 -7.766 3.436 -8.495 1.00 73.11 H new ATOM 0 HG2 PRO B 220 -6.438 2.421 -6.415 1.00 61.04 H new ATOM 0 HG3 PRO B 220 -7.292 1.345 -7.504 1.00 61.04 H new ATOM 0 HD2 PRO B 220 -4.315 1.975 -7.432 1.00 13.11 H new ATOM 0 HD3 PRO B 220 -5.093 0.410 -7.568 1.00 13.11 H new ATOM 2575 N TYR B 221 -6.185 4.824 -11.032 1.00 14.35 N ATOM 2576 CA TYR B 221 -5.695 5.953 -11.862 1.00 32.15 C ATOM 2577 C TYR B 221 -6.341 7.285 -11.421 1.00 71.24 C ATOM 2578 O TYR B 221 -7.235 7.302 -10.555 1.00 32.30 O ATOM 2579 CB TYR B 221 -5.990 5.673 -13.363 1.00 24.03 C ATOM 2580 CG TYR B 221 -5.383 4.358 -13.878 1.00 62.14 C ATOM 2581 CD1 TYR B 221 -4.010 4.236 -14.088 1.00 13.30 C ATOM 2582 CD2 TYR B 221 -6.179 3.234 -14.122 1.00 65.44 C ATOM 2583 CE1 TYR B 221 -3.455 3.050 -14.522 1.00 63.04 C ATOM 2584 CE2 TYR B 221 -5.624 2.042 -14.550 1.00 11.42 C ATOM 2585 CZ TYR B 221 -4.264 1.958 -14.753 1.00 2.50 C ATOM 2586 OH TYR B 221 -3.702 0.781 -15.170 1.00 42.10 O ATOM 0 H TYR B 221 -7.199 4.815 -10.921 1.00 14.35 H new ATOM 0 HA TYR B 221 -4.618 6.043 -11.724 1.00 32.15 H new ATOM 0 HB2 TYR B 221 -7.069 5.648 -13.513 1.00 24.03 H new ATOM 0 HB3 TYR B 221 -5.604 6.499 -13.960 1.00 24.03 H new ATOM 0 HD1 TYR B 221 -3.369 5.086 -13.907 1.00 13.30 H new ATOM 0 HD2 TYR B 221 -7.247 3.298 -13.973 1.00 65.44 H new ATOM 0 HE1 TYR B 221 -2.389 2.977 -14.680 1.00 63.04 H new ATOM 0 HE2 TYR B 221 -6.253 1.182 -14.724 1.00 11.42 H new ATOM 0 HH TYR B 221 -4.404 0.107 -15.288 1.00 42.10 H new