USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1135 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 126 SER OG : rot -15:sc= 0.827 USER MOD Set 1.2: A 128 SER OG : rot -130:sc= -0.504 USER MOD Set 2.1: A 107 TYR OH : rot 90:sc= -0.975 USER MOD Set 2.2: A 125 LYS NZ :NH3+ -153:sc= 0.593 (180deg=-0.401) USER MOD Set 3.1: A 23 GLN : amide:sc= 0.371 K(o=0.93,f=0.17) USER MOD Set 3.2: A 31 THR OG1 : rot 36:sc= 0.556 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0503 (180deg=-0.432) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.109 (180deg=-0.0243) USER MOD Single : A 9 THR OG1 : rot 116:sc=-0.00665 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= 0.472 (180deg=0.449) USER MOD Single : A 25 HIS : no HD1:sc= 0.189 K(o=0.19,f=-2!) USER MOD Single : A 28 ASN : amide:sc= 0.0637 X(o=0.064,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 155:sc= 0.896 (180deg=0.482) USER MOD Single : A 34 THR OG1 : rot 156:sc= 0.236 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= 0.189 (180deg=-0.229) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0.411 (180deg=0.374) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= 0.541 (180deg=-0.153) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= -0.0207 (180deg=-0.131) USER MOD Single : A 50 GLN : amide:sc= -2.66! K(o=-2.7!,f=-0.084) USER MOD Single : A 67 LYS NZ :NH3+ 137:sc= 0.71 (180deg=0.0451) USER MOD Single : A 72 TYR OH : rot 73:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0.197 X(o=0.2,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 140:sc= -0.0454 USER MOD Single : A 87 GLN : amide:sc= 0.0175 X(o=0.018,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -137:sc= 0.957 (180deg=0.0587) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -161:sc= 0.123 (180deg=-0.518) USER MOD Single : A 100 LYS NZ :NH3+ -172:sc=-0.00184 (180deg=-0.0695) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 141:sc= 0.397 (180deg=-1.13) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -140:sc= -0.767 USER MOD Single : A 111 ASN : amide:sc= -0.232 K(o=-0.23,f=-6.1!) USER MOD Single : A 116 LYS NZ :NH3+ -115:sc= 1.01 (180deg=-0.0682) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 167:sc= 0.218 (180deg=0.173) USER MOD Single : A 120 LYS NZ :NH3+ 144:sc= -0.176 (180deg=-1.15) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 132 HIS : no HD1:sc= 0.481 K(o=0.48,f=-2.3!) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.191 -4.432 16.480 1.00 0.00 N ATOM 2 CA MET A 1 4.488 -3.345 15.771 1.00 52.33 C ATOM 3 C MET A 1 5.216 -3.008 14.465 1.00 61.51 C ATOM 4 O MET A 1 6.344 -3.450 14.224 1.00 31.43 O ATOM 5 CB MET A 1 4.340 -2.084 16.674 1.00 70.22 C ATOM 6 CG MET A 1 3.482 -2.310 17.932 1.00 44.54 C ATOM 7 SD MET A 1 3.239 -0.807 18.908 1.00 64.45 S ATOM 8 CE MET A 1 2.293 0.225 17.780 1.00 14.41 C ATOM 0 H1 MET A 1 4.550 -5.243 16.594 1.00 0.00 H new ATOM 0 H2 MET A 1 6.024 -4.723 15.930 1.00 0.00 H new ATOM 0 H3 MET A 1 5.494 -4.096 17.416 1.00 0.00 H new ATOM 0 HA MET A 1 3.483 -3.689 15.527 1.00 52.33 H new ATOM 0 HB2 MET A 1 5.332 -1.750 16.979 1.00 70.22 H new ATOM 0 HB3 MET A 1 3.899 -1.279 16.086 1.00 70.22 H new ATOM 0 HG2 MET A 1 2.510 -2.704 17.635 1.00 44.54 H new ATOM 0 HG3 MET A 1 3.956 -3.068 18.556 1.00 44.54 H new ATOM 0 HE1 MET A 1 1.822 1.035 18.336 1.00 14.41 H new ATOM 0 HE2 MET A 1 2.958 0.643 17.024 1.00 14.41 H new ATOM 0 HE3 MET A 1 1.525 -0.376 17.294 1.00 14.41 H new ATOM 20 N GLY A 2 4.528 -2.222 13.637 1.00 22.42 N ATOM 21 CA GLY A 2 4.969 -1.874 12.295 1.00 22.54 C ATOM 22 C GLY A 2 3.794 -1.348 11.497 1.00 62.23 C ATOM 23 O GLY A 2 2.703 -1.144 12.054 1.00 44.44 O ATOM 0 H GLY A 2 3.632 -1.804 13.889 1.00 22.42 H new ATOM 0 HA2 GLY A 2 5.756 -1.121 12.343 1.00 22.54 H new ATOM 0 HA3 GLY A 2 5.394 -2.748 11.802 1.00 22.54 H new ATOM 27 N VAL A 3 3.998 -1.114 10.196 1.00 51.13 N ATOM 28 CA VAL A 3 2.966 -0.542 9.298 1.00 65.11 C ATOM 29 C VAL A 3 3.050 -1.245 7.934 1.00 14.23 C ATOM 30 O VAL A 3 4.143 -1.559 7.473 1.00 51.13 O ATOM 31 CB VAL A 3 3.171 1.020 9.122 1.00 61.10 C ATOM 32 CG1 VAL A 3 2.170 1.644 8.118 1.00 2.30 C ATOM 33 CG2 VAL A 3 3.117 1.749 10.488 1.00 24.52 C ATOM 0 H VAL A 3 4.882 -1.313 9.727 1.00 51.13 H new ATOM 0 HA VAL A 3 1.981 -0.701 9.738 1.00 65.11 H new ATOM 0 HB VAL A 3 4.166 1.158 8.699 1.00 61.10 H new ATOM 0 HG11 VAL A 3 2.356 2.715 8.037 1.00 2.30 H new ATOM 0 HG12 VAL A 3 2.297 1.178 7.141 1.00 2.30 H new ATOM 0 HG13 VAL A 3 1.152 1.478 8.469 1.00 2.30 H new ATOM 0 HG21 VAL A 3 3.261 2.819 10.335 1.00 24.52 H new ATOM 0 HG22 VAL A 3 2.147 1.576 10.955 1.00 24.52 H new ATOM 0 HG23 VAL A 3 3.905 1.366 11.136 1.00 24.52 H new ATOM 43 N VAL A 4 1.897 -1.534 7.316 1.00 21.11 N ATOM 44 CA VAL A 4 1.840 -2.107 5.958 1.00 14.22 C ATOM 45 C VAL A 4 1.002 -1.180 5.060 1.00 51.41 C ATOM 46 O VAL A 4 -0.206 -1.041 5.255 1.00 44.44 O ATOM 47 CB VAL A 4 1.227 -3.559 5.969 1.00 11.20 C ATOM 48 CG1 VAL A 4 1.194 -4.171 4.551 1.00 21.22 C ATOM 49 CG2 VAL A 4 1.981 -4.475 6.965 1.00 32.02 C ATOM 0 H VAL A 4 0.981 -1.380 7.737 1.00 21.11 H new ATOM 0 HA VAL A 4 2.855 -2.186 5.568 1.00 14.22 H new ATOM 0 HB VAL A 4 0.195 -3.479 6.310 1.00 11.20 H new ATOM 0 HG11 VAL A 4 0.765 -5.172 4.597 1.00 21.22 H new ATOM 0 HG12 VAL A 4 0.585 -3.545 3.899 1.00 21.22 H new ATOM 0 HG13 VAL A 4 2.208 -4.228 4.156 1.00 21.22 H new ATOM 0 HG21 VAL A 4 1.537 -5.470 6.952 1.00 32.02 H new ATOM 0 HG22 VAL A 4 3.030 -4.542 6.676 1.00 32.02 H new ATOM 0 HG23 VAL A 4 1.908 -4.058 7.970 1.00 32.02 H new ATOM 59 N ILE A 5 1.675 -0.546 4.091 1.00 23.54 N ATOM 60 CA ILE A 5 1.060 0.357 3.115 1.00 53.34 C ATOM 61 C ILE A 5 0.920 -0.392 1.769 1.00 4.11 C ATOM 62 O ILE A 5 1.906 -0.641 1.089 1.00 35.33 O ATOM 63 CB ILE A 5 1.952 1.652 2.943 1.00 1.44 C ATOM 64 CG1 ILE A 5 2.153 2.372 4.322 1.00 73.40 C ATOM 65 CG2 ILE A 5 1.375 2.613 1.872 1.00 22.35 C ATOM 66 CD1 ILE A 5 3.084 3.576 4.308 1.00 70.44 C ATOM 0 H ILE A 5 2.682 -0.650 3.963 1.00 23.54 H new ATOM 0 HA ILE A 5 0.074 0.668 3.460 1.00 53.34 H new ATOM 0 HB ILE A 5 2.931 1.337 2.583 1.00 1.44 H new ATOM 0 HG12 ILE A 5 1.178 2.694 4.689 1.00 73.40 H new ATOM 0 HG13 ILE A 5 2.539 1.646 5.037 1.00 73.40 H new ATOM 0 HG21 ILE A 5 2.018 3.489 1.785 1.00 22.35 H new ATOM 0 HG22 ILE A 5 1.328 2.101 0.911 1.00 22.35 H new ATOM 0 HG23 ILE A 5 0.373 2.926 2.166 1.00 22.35 H new ATOM 0 HD11 ILE A 5 3.150 3.996 5.312 1.00 70.44 H new ATOM 0 HD12 ILE A 5 4.075 3.265 3.978 1.00 70.44 H new ATOM 0 HD13 ILE A 5 2.694 4.330 3.624 1.00 70.44 H new ATOM 78 N LEU A 6 -0.316 -0.755 1.410 1.00 40.23 N ATOM 79 CA LEU A 6 -0.630 -1.469 0.166 1.00 55.03 C ATOM 80 C LEU A 6 -1.091 -0.451 -0.880 1.00 52.43 C ATOM 81 O LEU A 6 -2.215 0.054 -0.815 1.00 74.33 O ATOM 82 CB LEU A 6 -1.756 -2.503 0.450 1.00 44.22 C ATOM 83 CG LEU A 6 -1.479 -3.509 1.606 1.00 42.33 C ATOM 84 CD1 LEU A 6 -2.753 -4.265 2.007 1.00 50.31 C ATOM 85 CD2 LEU A 6 -0.352 -4.481 1.239 1.00 52.52 C ATOM 0 H LEU A 6 -1.137 -0.559 1.982 1.00 40.23 H new ATOM 0 HA LEU A 6 0.248 -1.995 -0.209 1.00 55.03 H new ATOM 0 HB2 LEU A 6 -2.673 -1.959 0.679 1.00 44.22 H new ATOM 0 HB3 LEU A 6 -1.941 -3.070 -0.463 1.00 44.22 H new ATOM 0 HG LEU A 6 -1.152 -2.932 2.471 1.00 42.33 H new ATOM 0 HD11 LEU A 6 -2.525 -4.959 2.816 1.00 50.31 H new ATOM 0 HD12 LEU A 6 -3.508 -3.554 2.341 1.00 50.31 H new ATOM 0 HD13 LEU A 6 -3.132 -4.820 1.149 1.00 50.31 H new ATOM 0 HD21 LEU A 6 -0.182 -5.170 2.066 1.00 52.52 H new ATOM 0 HD22 LEU A 6 -0.633 -5.044 0.349 1.00 52.52 H new ATOM 0 HD23 LEU A 6 0.562 -3.921 1.041 1.00 52.52 H new ATOM 97 N VAL A 7 -0.205 -0.125 -1.818 1.00 13.24 N ATOM 98 CA VAL A 7 -0.508 0.792 -2.915 1.00 64.14 C ATOM 99 C VAL A 7 -1.075 -0.007 -4.107 1.00 63.01 C ATOM 100 O VAL A 7 -0.339 -0.724 -4.792 1.00 61.00 O ATOM 101 CB VAL A 7 0.771 1.614 -3.336 1.00 4.31 C ATOM 102 CG1 VAL A 7 0.450 2.603 -4.477 1.00 55.40 C ATOM 103 CG2 VAL A 7 1.378 2.354 -2.118 1.00 54.44 C ATOM 0 H VAL A 7 0.747 -0.491 -1.839 1.00 13.24 H new ATOM 0 HA VAL A 7 -1.257 1.511 -2.582 1.00 64.14 H new ATOM 0 HB VAL A 7 1.513 0.907 -3.708 1.00 4.31 H new ATOM 0 HG11 VAL A 7 1.351 3.155 -4.745 1.00 55.40 H new ATOM 0 HG12 VAL A 7 0.090 2.052 -5.346 1.00 55.40 H new ATOM 0 HG13 VAL A 7 -0.319 3.302 -4.147 1.00 55.40 H new ATOM 0 HG21 VAL A 7 2.259 2.913 -2.434 1.00 54.44 H new ATOM 0 HG22 VAL A 7 0.640 3.042 -1.705 1.00 54.44 H new ATOM 0 HG23 VAL A 7 1.663 1.628 -1.356 1.00 54.44 H new ATOM 113 N LEU A 8 -2.403 0.105 -4.313 1.00 73.15 N ATOM 114 CA LEU A 8 -3.125 -0.535 -5.423 1.00 15.44 C ATOM 115 C LEU A 8 -3.132 0.419 -6.625 1.00 73.41 C ATOM 116 O LEU A 8 -3.888 1.388 -6.641 1.00 44.42 O ATOM 117 CB LEU A 8 -4.591 -0.897 -5.014 1.00 2.23 C ATOM 118 CG LEU A 8 -4.789 -2.169 -4.123 1.00 51.04 C ATOM 119 CD1 LEU A 8 -4.072 -2.054 -2.762 1.00 5.24 C ATOM 120 CD2 LEU A 8 -6.296 -2.483 -3.947 1.00 11.42 C ATOM 0 H LEU A 8 -3.010 0.652 -3.702 1.00 73.15 H new ATOM 0 HA LEU A 8 -2.618 -1.464 -5.685 1.00 15.44 H new ATOM 0 HB2 LEU A 8 -5.015 -0.044 -4.485 1.00 2.23 H new ATOM 0 HB3 LEU A 8 -5.174 -1.028 -5.926 1.00 2.23 H new ATOM 0 HG LEU A 8 -4.323 -3.005 -4.644 1.00 51.04 H new ATOM 0 HD11 LEU A 8 -4.241 -2.962 -2.184 1.00 5.24 H new ATOM 0 HD12 LEU A 8 -3.002 -1.921 -2.924 1.00 5.24 H new ATOM 0 HD13 LEU A 8 -4.465 -1.197 -2.215 1.00 5.24 H new ATOM 0 HD21 LEU A 8 -6.413 -3.370 -3.325 1.00 11.42 H new ATOM 0 HD22 LEU A 8 -6.790 -1.637 -3.469 1.00 11.42 H new ATOM 0 HD23 LEU A 8 -6.747 -2.663 -4.923 1.00 11.42 H new ATOM 132 N THR A 9 -2.302 0.127 -7.634 1.00 55.04 N ATOM 133 CA THR A 9 -2.186 0.961 -8.839 1.00 22.03 C ATOM 134 C THR A 9 -2.900 0.264 -10.005 1.00 71.24 C ATOM 135 O THR A 9 -2.768 -0.956 -10.176 1.00 23.21 O ATOM 136 CB THR A 9 -0.675 1.199 -9.206 1.00 43.32 C ATOM 137 OG1 THR A 9 -0.015 -0.060 -9.434 1.00 51.11 O ATOM 138 CG2 THR A 9 0.077 1.973 -8.111 1.00 34.43 C ATOM 0 H THR A 9 -1.693 -0.691 -7.639 1.00 55.04 H new ATOM 0 HA THR A 9 -2.649 1.929 -8.646 1.00 22.03 H new ATOM 0 HB THR A 9 -0.660 1.802 -10.114 1.00 43.32 H new ATOM 0 HG1 THR A 9 0.276 -0.112 -10.368 1.00 51.11 H new ATOM 0 HG21 THR A 9 1.116 2.112 -8.411 1.00 34.43 H new ATOM 0 HG22 THR A 9 -0.392 2.946 -7.966 1.00 34.43 H new ATOM 0 HG23 THR A 9 0.041 1.410 -7.178 1.00 34.43 H new ATOM 146 N GLY A 10 -3.663 1.044 -10.796 1.00 74.23 N ATOM 147 CA GLY A 10 -4.316 0.534 -12.003 1.00 52.31 C ATOM 148 C GLY A 10 -3.292 0.159 -13.058 1.00 41.22 C ATOM 149 O GLY A 10 -3.322 -0.941 -13.630 1.00 50.42 O ATOM 0 H GLY A 10 -3.838 2.032 -10.614 1.00 74.23 H new ATOM 0 HA2 GLY A 10 -4.921 -0.337 -11.753 1.00 52.31 H new ATOM 0 HA3 GLY A 10 -4.994 1.289 -12.401 1.00 52.31 H new ATOM 153 N ASP A 11 -2.364 1.091 -13.288 1.00 64.05 N ATOM 154 CA ASP A 11 -1.192 0.875 -14.134 1.00 15.43 C ATOM 155 C ASP A 11 -0.029 0.440 -13.237 1.00 11.54 C ATOM 156 O ASP A 11 0.356 1.173 -12.319 1.00 21.44 O ATOM 157 CB ASP A 11 -0.816 2.171 -14.904 1.00 1.12 C ATOM 158 CG ASP A 11 -2.021 2.825 -15.600 1.00 33.30 C ATOM 159 OD1 ASP A 11 -2.715 3.642 -14.950 1.00 41.15 O ATOM 160 OD2 ASP A 11 -2.293 2.514 -16.780 1.00 14.23 O ATOM 0 H ASP A 11 -2.408 2.028 -12.886 1.00 64.05 H new ATOM 0 HA ASP A 11 -1.412 0.104 -14.873 1.00 15.43 H new ATOM 0 HB2 ASP A 11 -0.373 2.885 -14.209 1.00 1.12 H new ATOM 0 HB3 ASP A 11 -0.056 1.937 -15.649 1.00 1.12 H new ATOM 165 N GLU A 12 0.510 -0.760 -13.503 1.00 13.45 N ATOM 166 CA GLU A 12 1.679 -1.332 -12.792 1.00 63.44 C ATOM 167 C GLU A 12 2.919 -0.401 -12.898 1.00 24.42 C ATOM 168 O GLU A 12 3.798 -0.406 -12.027 1.00 54.01 O ATOM 169 CB GLU A 12 1.980 -2.729 -13.390 1.00 22.43 C ATOM 170 CG GLU A 12 3.139 -3.495 -12.726 1.00 41.24 C ATOM 171 CD GLU A 12 3.467 -4.797 -13.465 1.00 0.33 C ATOM 172 OE1 GLU A 12 4.279 -4.763 -14.415 1.00 31.11 O ATOM 173 OE2 GLU A 12 2.898 -5.852 -13.124 1.00 54.34 O ATOM 0 H GLU A 12 0.144 -1.376 -14.229 1.00 13.45 H new ATOM 0 HA GLU A 12 1.447 -1.426 -11.731 1.00 63.44 H new ATOM 0 HB2 GLU A 12 1.078 -3.337 -13.321 1.00 22.43 H new ATOM 0 HB3 GLU A 12 2.205 -2.611 -14.450 1.00 22.43 H new ATOM 0 HG2 GLU A 12 4.025 -2.860 -12.700 1.00 41.24 H new ATOM 0 HG3 GLU A 12 2.878 -3.721 -11.692 1.00 41.24 H new ATOM 180 N ARG A 13 2.950 0.391 -13.986 1.00 45.34 N ATOM 181 CA ARG A 13 3.954 1.440 -14.240 1.00 40.44 C ATOM 182 C ARG A 13 4.077 2.414 -13.043 1.00 73.43 C ATOM 183 O ARG A 13 5.183 2.668 -12.559 1.00 11.41 O ATOM 184 CB ARG A 13 3.570 2.196 -15.555 1.00 22.55 C ATOM 185 CG ARG A 13 4.567 3.300 -16.035 1.00 65.44 C ATOM 186 CD ARG A 13 4.280 4.717 -15.493 1.00 1.01 C ATOM 187 NE ARG A 13 5.338 5.678 -15.868 1.00 31.33 N ATOM 188 CZ ARG A 13 5.155 6.997 -16.038 1.00 62.01 C ATOM 189 NH1 ARG A 13 3.946 7.537 -15.880 1.00 72.13 N ATOM 190 NH2 ARG A 13 6.193 7.769 -16.345 1.00 32.22 N ATOM 0 H ARG A 13 2.259 0.317 -14.732 1.00 45.34 H new ATOM 0 HA ARG A 13 4.933 0.977 -14.361 1.00 40.44 H new ATOM 0 HB2 ARG A 13 3.463 1.461 -16.353 1.00 22.55 H new ATOM 0 HB3 ARG A 13 2.592 2.656 -15.412 1.00 22.55 H new ATOM 0 HG2 ARG A 13 5.576 3.011 -15.739 1.00 65.44 H new ATOM 0 HG3 ARG A 13 4.552 3.334 -17.124 1.00 65.44 H new ATOM 0 HD2 ARG A 13 3.321 5.065 -15.878 1.00 1.01 H new ATOM 0 HD3 ARG A 13 4.193 4.679 -14.407 1.00 1.01 H new ATOM 0 HE ARG A 13 6.279 5.311 -16.008 1.00 31.33 H new ATOM 0 HH11 ARG A 13 3.153 6.947 -15.628 1.00 72.13 H new ATOM 0 HH12 ARG A 13 3.814 8.540 -16.011 1.00 72.13 H new ATOM 0 HH21 ARG A 13 7.121 7.358 -16.450 1.00 32.22 H new ATOM 0 HH22 ARG A 13 6.062 8.772 -16.476 1.00 32.22 H new ATOM 204 N ILE A 14 2.919 2.916 -12.562 1.00 1.44 N ATOM 205 CA ILE A 14 2.853 3.932 -11.484 1.00 5.44 C ATOM 206 C ILE A 14 3.463 3.391 -10.166 1.00 31.11 C ATOM 207 O ILE A 14 4.055 4.151 -9.395 1.00 21.21 O ATOM 208 CB ILE A 14 1.369 4.410 -11.227 1.00 73.43 C ATOM 209 CG1 ILE A 14 0.691 4.890 -12.554 1.00 2.32 C ATOM 210 CG2 ILE A 14 1.319 5.527 -10.151 1.00 11.11 C ATOM 211 CD1 ILE A 14 -0.781 5.256 -12.415 1.00 70.14 C ATOM 0 H ILE A 14 2.003 2.630 -12.908 1.00 1.44 H new ATOM 0 HA ILE A 14 3.439 4.788 -11.819 1.00 5.44 H new ATOM 0 HB ILE A 14 0.808 3.554 -10.852 1.00 73.43 H new ATOM 0 HG12 ILE A 14 1.234 5.757 -12.932 1.00 2.32 H new ATOM 0 HG13 ILE A 14 0.788 4.103 -13.302 1.00 2.32 H new ATOM 0 HG21 ILE A 14 0.285 5.836 -9.995 1.00 11.11 H new ATOM 0 HG22 ILE A 14 1.730 5.149 -9.215 1.00 11.11 H new ATOM 0 HG23 ILE A 14 1.907 6.382 -10.486 1.00 11.11 H new ATOM 0 HD11 ILE A 14 -1.169 5.577 -13.382 1.00 70.14 H new ATOM 0 HD12 ILE A 14 -1.341 4.387 -12.070 1.00 70.14 H new ATOM 0 HD13 ILE A 14 -0.888 6.066 -11.694 1.00 70.14 H new ATOM 223 N ALA A 15 3.340 2.064 -9.955 1.00 52.15 N ATOM 224 CA ALA A 15 3.858 1.370 -8.755 1.00 31.01 C ATOM 225 C ALA A 15 5.380 1.584 -8.573 1.00 53.44 C ATOM 226 O ALA A 15 5.849 1.792 -7.459 1.00 71.44 O ATOM 227 CB ALA A 15 3.524 -0.130 -8.833 1.00 54.44 C ATOM 0 H ALA A 15 2.876 1.440 -10.615 1.00 52.15 H new ATOM 0 HA ALA A 15 3.369 1.802 -7.882 1.00 31.01 H new ATOM 0 HB1 ALA A 15 3.908 -0.635 -7.947 1.00 54.44 H new ATOM 0 HB2 ALA A 15 2.443 -0.260 -8.885 1.00 54.44 H new ATOM 0 HB3 ALA A 15 3.984 -0.559 -9.723 1.00 54.44 H new ATOM 233 N GLU A 16 6.119 1.565 -9.696 1.00 12.32 N ATOM 234 CA GLU A 16 7.585 1.767 -9.719 1.00 31.01 C ATOM 235 C GLU A 16 7.962 3.245 -9.510 1.00 71.11 C ATOM 236 O GLU A 16 8.986 3.547 -8.884 1.00 73.55 O ATOM 237 CB GLU A 16 8.152 1.260 -11.067 1.00 42.21 C ATOM 238 CG GLU A 16 8.012 -0.256 -11.281 1.00 23.02 C ATOM 239 CD GLU A 16 8.826 -1.078 -10.263 1.00 32.44 C ATOM 240 OE1 GLU A 16 10.076 -1.100 -10.375 1.00 23.13 O ATOM 241 OE2 GLU A 16 8.240 -1.684 -9.338 1.00 64.21 O ATOM 0 H GLU A 16 5.717 1.408 -10.620 1.00 12.32 H new ATOM 0 HA GLU A 16 8.019 1.200 -8.896 1.00 31.01 H new ATOM 0 HB2 GLU A 16 7.644 1.779 -11.880 1.00 42.21 H new ATOM 0 HB3 GLU A 16 9.207 1.528 -11.128 1.00 42.21 H new ATOM 0 HG2 GLU A 16 6.960 -0.533 -11.208 1.00 23.02 H new ATOM 0 HG3 GLU A 16 8.339 -0.508 -12.290 1.00 23.02 H new ATOM 248 N GLU A 17 7.118 4.145 -10.042 1.00 0.12 N ATOM 249 CA GLU A 17 7.325 5.606 -9.969 1.00 40.21 C ATOM 250 C GLU A 17 7.149 6.113 -8.523 1.00 11.31 C ATOM 251 O GLU A 17 7.824 7.053 -8.087 1.00 32.35 O ATOM 252 CB GLU A 17 6.336 6.319 -10.922 1.00 74.12 C ATOM 253 CG GLU A 17 6.354 5.804 -12.382 1.00 75.53 C ATOM 254 CD GLU A 17 7.712 5.975 -13.098 1.00 15.31 C ATOM 255 OE1 GLU A 17 8.565 5.060 -13.022 1.00 63.32 O ATOM 256 OE2 GLU A 17 7.925 7.019 -13.763 1.00 15.23 O ATOM 0 H GLU A 17 6.267 3.880 -10.538 1.00 0.12 H new ATOM 0 HA GLU A 17 8.345 5.834 -10.280 1.00 40.21 H new ATOM 0 HB2 GLU A 17 5.327 6.208 -10.525 1.00 74.12 H new ATOM 0 HB3 GLU A 17 6.562 7.385 -10.925 1.00 74.12 H new ATOM 0 HG2 GLU A 17 6.085 4.748 -12.386 1.00 75.53 H new ATOM 0 HG3 GLU A 17 5.588 6.331 -12.951 1.00 75.53 H new ATOM 263 N LEU A 18 6.211 5.483 -7.800 1.00 62.20 N ATOM 264 CA LEU A 18 6.001 5.720 -6.366 1.00 15.40 C ATOM 265 C LEU A 18 7.079 4.994 -5.537 1.00 53.45 C ATOM 266 O LEU A 18 7.544 5.531 -4.533 1.00 4.31 O ATOM 267 CB LEU A 18 4.581 5.259 -5.947 1.00 41.44 C ATOM 268 CG LEU A 18 3.392 5.970 -6.671 1.00 42.32 C ATOM 269 CD1 LEU A 18 2.048 5.358 -6.241 1.00 10.10 C ATOM 270 CD2 LEU A 18 3.414 7.503 -6.437 1.00 50.31 C ATOM 0 H LEU A 18 5.574 4.792 -8.197 1.00 62.20 H new ATOM 0 HA LEU A 18 6.085 6.789 -6.172 1.00 15.40 H new ATOM 0 HB2 LEU A 18 4.501 4.187 -6.125 1.00 41.44 H new ATOM 0 HB3 LEU A 18 4.472 5.413 -4.873 1.00 41.44 H new ATOM 0 HG LEU A 18 3.511 5.807 -7.742 1.00 42.32 H new ATOM 0 HD11 LEU A 18 1.234 5.868 -6.757 1.00 10.10 H new ATOM 0 HD12 LEU A 18 2.032 4.298 -6.497 1.00 10.10 H new ATOM 0 HD13 LEU A 18 1.924 5.473 -5.164 1.00 10.10 H new ATOM 0 HD21 LEU A 18 2.573 7.962 -6.956 1.00 50.31 H new ATOM 0 HD22 LEU A 18 3.339 7.709 -5.369 1.00 50.31 H new ATOM 0 HD23 LEU A 18 4.346 7.916 -6.821 1.00 50.31 H new ATOM 282 N ARG A 19 7.481 3.778 -6.000 1.00 5.02 N ATOM 283 CA ARG A 19 8.444 2.896 -5.286 1.00 41.01 C ATOM 284 C ARG A 19 9.779 3.594 -5.054 1.00 3.55 C ATOM 285 O ARG A 19 10.329 3.555 -3.945 1.00 71.23 O ATOM 286 CB ARG A 19 8.680 1.555 -6.059 1.00 51.11 C ATOM 287 CG ARG A 19 9.554 0.521 -5.299 1.00 62.33 C ATOM 288 CD ARG A 19 9.805 -0.773 -6.098 1.00 32.01 C ATOM 289 NE ARG A 19 10.527 -0.541 -7.357 1.00 41.15 N ATOM 290 CZ ARG A 19 11.815 -0.161 -7.479 1.00 40.21 C ATOM 291 NH1 ARG A 19 12.591 0.055 -6.414 1.00 4.10 N ATOM 292 NH2 ARG A 19 12.323 -0.016 -8.691 1.00 11.55 N ATOM 0 H ARG A 19 7.146 3.383 -6.879 1.00 5.02 H new ATOM 0 HA ARG A 19 7.997 2.667 -4.319 1.00 41.01 H new ATOM 0 HB2 ARG A 19 7.713 1.102 -6.280 1.00 51.11 H new ATOM 0 HB3 ARG A 19 9.153 1.779 -7.015 1.00 51.11 H new ATOM 0 HG2 ARG A 19 10.512 0.978 -5.052 1.00 62.33 H new ATOM 0 HG3 ARG A 19 9.068 0.269 -4.356 1.00 62.33 H new ATOM 0 HD2 ARG A 19 10.375 -1.469 -5.482 1.00 32.01 H new ATOM 0 HD3 ARG A 19 8.849 -1.250 -6.316 1.00 32.01 H new ATOM 0 HE ARG A 19 10.004 -0.681 -8.221 1.00 41.15 H new ATOM 0 HH11 ARG A 19 12.213 -0.067 -5.474 1.00 4.10 H new ATOM 0 HH12 ARG A 19 13.562 0.342 -6.540 1.00 4.10 H new ATOM 0 HH21 ARG A 19 11.743 -0.191 -9.511 1.00 11.55 H new ATOM 0 HH22 ARG A 19 13.295 0.271 -8.806 1.00 11.55 H new ATOM 306 N LYS A 20 10.268 4.252 -6.110 1.00 22.05 N ATOM 307 CA LYS A 20 11.542 4.964 -6.079 1.00 30.43 C ATOM 308 C LYS A 20 11.473 6.174 -5.121 1.00 53.22 C ATOM 309 O LYS A 20 12.439 6.443 -4.414 1.00 31.52 O ATOM 310 CB LYS A 20 11.980 5.350 -7.523 1.00 41.33 C ATOM 311 CG LYS A 20 10.978 6.216 -8.324 1.00 25.44 C ATOM 312 CD LYS A 20 11.294 6.276 -9.845 1.00 32.34 C ATOM 313 CE LYS A 20 12.693 6.831 -10.153 1.00 50.34 C ATOM 314 NZ LYS A 20 12.946 6.948 -11.618 1.00 72.41 N ATOM 0 H LYS A 20 9.789 4.304 -7.009 1.00 22.05 H new ATOM 0 HA LYS A 20 12.314 4.305 -5.681 1.00 30.43 H new ATOM 0 HB2 LYS A 20 12.927 5.886 -7.464 1.00 41.33 H new ATOM 0 HB3 LYS A 20 12.167 4.433 -8.083 1.00 41.33 H new ATOM 0 HG2 LYS A 20 9.973 5.818 -8.184 1.00 25.44 H new ATOM 0 HG3 LYS A 20 10.979 7.228 -7.920 1.00 25.44 H new ATOM 0 HD2 LYS A 20 11.207 5.275 -10.267 1.00 32.34 H new ATOM 0 HD3 LYS A 20 10.547 6.897 -10.340 1.00 32.34 H new ATOM 0 HE2 LYS A 20 12.803 7.811 -9.688 1.00 50.34 H new ATOM 0 HE3 LYS A 20 13.446 6.180 -9.707 1.00 50.34 H new ATOM 0 HZ1 LYS A 20 13.902 7.327 -11.776 1.00 72.41 H new ATOM 0 HZ2 LYS A 20 12.868 6.010 -12.060 1.00 72.41 H new ATOM 0 HZ3 LYS A 20 12.245 7.589 -12.041 1.00 72.41 H new ATOM 328 N GLU A 21 10.299 6.839 -5.048 1.00 3.34 N ATOM 329 CA GLU A 21 10.066 7.978 -4.126 1.00 40.23 C ATOM 330 C GLU A 21 9.938 7.538 -2.652 1.00 30.41 C ATOM 331 O GLU A 21 10.267 8.323 -1.758 1.00 44.04 O ATOM 332 CB GLU A 21 8.844 8.846 -4.565 1.00 33.23 C ATOM 333 CG GLU A 21 9.231 10.099 -5.386 1.00 55.25 C ATOM 334 CD GLU A 21 9.777 9.790 -6.795 1.00 74.44 C ATOM 335 OE1 GLU A 21 10.983 9.497 -6.940 1.00 42.21 O ATOM 336 OE2 GLU A 21 8.999 9.861 -7.767 1.00 54.32 O ATOM 0 H GLU A 21 9.489 6.605 -5.622 1.00 3.34 H new ATOM 0 HA GLU A 21 10.957 8.603 -4.192 1.00 40.23 H new ATOM 0 HB2 GLU A 21 8.167 8.230 -5.157 1.00 33.23 H new ATOM 0 HB3 GLU A 21 8.296 9.160 -3.677 1.00 33.23 H new ATOM 0 HG2 GLU A 21 8.356 10.742 -5.481 1.00 55.25 H new ATOM 0 HG3 GLU A 21 9.982 10.663 -4.834 1.00 55.25 H new ATOM 343 N VAL A 22 9.435 6.307 -2.401 1.00 2.31 N ATOM 344 CA VAL A 22 9.385 5.729 -1.034 1.00 41.50 C ATOM 345 C VAL A 22 10.822 5.521 -0.522 1.00 3.51 C ATOM 346 O VAL A 22 11.158 5.908 0.601 1.00 34.02 O ATOM 347 CB VAL A 22 8.619 4.348 -0.974 1.00 54.51 C ATOM 348 CG1 VAL A 22 8.601 3.779 0.465 1.00 12.40 C ATOM 349 CG2 VAL A 22 7.182 4.459 -1.523 1.00 73.40 C ATOM 0 H VAL A 22 9.058 5.694 -3.124 1.00 2.31 H new ATOM 0 HA VAL A 22 8.837 6.434 -0.409 1.00 41.50 H new ATOM 0 HB VAL A 22 9.167 3.657 -1.615 1.00 54.51 H new ATOM 0 HG11 VAL A 22 8.067 2.829 0.474 1.00 12.40 H new ATOM 0 HG12 VAL A 22 9.624 3.624 0.808 1.00 12.40 H new ATOM 0 HG13 VAL A 22 8.099 4.483 1.128 1.00 12.40 H new ATOM 0 HG21 VAL A 22 6.693 3.487 -1.462 1.00 73.40 H new ATOM 0 HG22 VAL A 22 6.622 5.184 -0.933 1.00 73.40 H new ATOM 0 HG23 VAL A 22 7.214 4.785 -2.563 1.00 73.40 H new ATOM 359 N GLN A 23 11.661 4.935 -1.398 1.00 25.02 N ATOM 360 CA GLN A 23 13.075 4.631 -1.105 1.00 23.25 C ATOM 361 C GLN A 23 13.902 5.925 -0.898 1.00 4.54 C ATOM 362 O GLN A 23 14.894 5.921 -0.158 1.00 64.32 O ATOM 363 CB GLN A 23 13.672 3.757 -2.243 1.00 43.14 C ATOM 364 CG GLN A 23 12.997 2.374 -2.406 1.00 14.32 C ATOM 365 CD GLN A 23 13.577 1.531 -3.549 1.00 33.14 C ATOM 366 OE1 GLN A 23 14.036 2.054 -4.563 1.00 24.53 O ATOM 367 NE2 GLN A 23 13.556 0.214 -3.403 1.00 4.42 N ATOM 0 H GLN A 23 11.374 4.657 -2.336 1.00 25.02 H new ATOM 0 HA GLN A 23 13.122 4.070 -0.171 1.00 23.25 H new ATOM 0 HB2 GLN A 23 13.590 4.301 -3.184 1.00 43.14 H new ATOM 0 HB3 GLN A 23 14.735 3.609 -2.052 1.00 43.14 H new ATOM 0 HG2 GLN A 23 13.096 1.820 -1.473 1.00 14.32 H new ATOM 0 HG3 GLN A 23 11.931 2.519 -2.579 1.00 14.32 H new ATOM 0 HE21 GLN A 23 13.171 -0.199 -2.554 1.00 4.42 H new ATOM 0 HE22 GLN A 23 13.925 -0.387 -4.140 1.00 4.42 H new ATOM 376 N LYS A 24 13.486 7.024 -1.569 1.00 24.32 N ATOM 377 CA LYS A 24 14.107 8.361 -1.410 1.00 41.20 C ATOM 378 C LYS A 24 13.667 9.030 -0.093 1.00 44.02 C ATOM 379 O LYS A 24 14.497 9.615 0.616 1.00 21.41 O ATOM 380 CB LYS A 24 13.756 9.292 -2.601 1.00 3.23 C ATOM 381 CG LYS A 24 14.327 8.865 -3.964 1.00 50.23 C ATOM 382 CD LYS A 24 13.868 9.801 -5.103 1.00 70.14 C ATOM 383 CE LYS A 24 14.286 9.306 -6.492 1.00 61.23 C ATOM 384 NZ LYS A 24 13.804 10.228 -7.554 1.00 44.23 N ATOM 0 H LYS A 24 12.713 7.010 -2.234 1.00 24.32 H new ATOM 0 HA LYS A 24 15.186 8.208 -1.387 1.00 41.20 H new ATOM 0 HB2 LYS A 24 12.671 9.354 -2.684 1.00 3.23 H new ATOM 0 HB3 LYS A 24 14.116 10.295 -2.374 1.00 3.23 H new ATOM 0 HG2 LYS A 24 15.416 8.860 -3.915 1.00 50.23 H new ATOM 0 HG3 LYS A 24 14.013 7.845 -4.185 1.00 50.23 H new ATOM 0 HD2 LYS A 24 12.783 9.899 -5.070 1.00 70.14 H new ATOM 0 HD3 LYS A 24 14.283 10.795 -4.938 1.00 70.14 H new ATOM 0 HE2 LYS A 24 15.372 9.225 -6.541 1.00 61.23 H new ATOM 0 HE3 LYS A 24 13.884 8.307 -6.662 1.00 61.23 H new ATOM 0 HZ1 LYS A 24 14.185 9.927 -8.474 1.00 44.23 H new ATOM 0 HZ2 LYS A 24 12.765 10.208 -7.586 1.00 44.23 H new ATOM 0 HZ3 LYS A 24 14.125 11.195 -7.346 1.00 44.23 H new ATOM 398 N HIS A 25 12.355 8.948 0.213 1.00 11.13 N ATOM 399 CA HIS A 25 11.762 9.589 1.410 1.00 3.42 C ATOM 400 C HIS A 25 12.351 8.971 2.683 1.00 61.21 C ATOM 401 O HIS A 25 12.822 9.678 3.576 1.00 21.13 O ATOM 402 CB HIS A 25 10.210 9.446 1.404 1.00 13.21 C ATOM 403 CG HIS A 25 9.500 10.121 2.568 1.00 14.23 C ATOM 404 ND1 HIS A 25 8.914 11.357 2.428 1.00 2.11 N ATOM 405 CD2 HIS A 25 9.300 9.694 3.849 1.00 63.12 C ATOM 406 CE1 HIS A 25 8.385 11.646 3.603 1.00 44.30 C ATOM 407 NE2 HIS A 25 8.594 10.672 4.489 1.00 22.43 N ATOM 0 H HIS A 25 11.679 8.440 -0.357 1.00 11.13 H new ATOM 0 HA HIS A 25 12.004 10.652 1.388 1.00 3.42 H new ATOM 0 HB2 HIS A 25 9.825 9.861 0.473 1.00 13.21 H new ATOM 0 HB3 HIS A 25 9.957 8.386 1.409 1.00 13.21 H new ATOM 0 HD2 HIS A 25 9.636 8.760 4.275 1.00 63.12 H new ATOM 0 HE1 HIS A 25 7.849 12.558 3.819 1.00 44.30 H new ATOM 0 HE2 HIS A 25 8.285 10.660 5.461 1.00 22.43 H new ATOM 415 N ASP A 26 12.335 7.642 2.728 1.00 62.53 N ATOM 416 CA ASP A 26 12.777 6.871 3.889 1.00 31.01 C ATOM 417 C ASP A 26 13.402 5.544 3.383 1.00 3.23 C ATOM 418 O ASP A 26 12.693 4.710 2.806 1.00 65.42 O ATOM 419 CB ASP A 26 11.569 6.634 4.844 1.00 1.44 C ATOM 420 CG ASP A 26 11.955 5.988 6.190 1.00 15.04 C ATOM 421 OD1 ASP A 26 12.371 4.822 6.194 1.00 62.03 O ATOM 422 OD2 ASP A 26 11.814 6.624 7.254 1.00 65.44 O ATOM 0 H ASP A 26 12.012 7.063 1.953 1.00 62.53 H new ATOM 0 HA ASP A 26 13.534 7.410 4.458 1.00 31.01 H new ATOM 0 HB2 ASP A 26 11.078 7.588 5.037 1.00 1.44 H new ATOM 0 HB3 ASP A 26 10.841 5.997 4.342 1.00 1.44 H new ATOM 427 N PRO A 27 14.748 5.335 3.574 1.00 62.50 N ATOM 428 CA PRO A 27 15.459 4.113 3.097 1.00 44.10 C ATOM 429 C PRO A 27 15.262 2.893 4.028 1.00 61.53 C ATOM 430 O PRO A 27 15.682 1.776 3.692 1.00 31.30 O ATOM 431 CB PRO A 27 16.934 4.578 3.081 1.00 43.12 C ATOM 432 CG PRO A 27 17.029 5.544 4.223 1.00 32.10 C ATOM 433 CD PRO A 27 15.691 6.270 4.261 1.00 31.13 C ATOM 0 HA PRO A 27 15.089 3.763 2.133 1.00 44.10 H new ATOM 0 HB2 PRO A 27 17.617 3.739 3.212 1.00 43.12 H new ATOM 0 HB3 PRO A 27 17.191 5.054 2.135 1.00 43.12 H new ATOM 0 HG2 PRO A 27 17.219 5.023 5.162 1.00 32.10 H new ATOM 0 HG3 PRO A 27 17.851 6.245 4.076 1.00 32.10 H new ATOM 0 HD2 PRO A 27 15.376 6.472 5.285 1.00 31.13 H new ATOM 0 HD3 PRO A 27 15.744 7.230 3.748 1.00 31.13 H new ATOM 441 N ASN A 28 14.644 3.127 5.200 1.00 24.43 N ATOM 442 CA ASN A 28 14.406 2.088 6.222 1.00 24.15 C ATOM 443 C ASN A 28 13.111 1.312 5.894 1.00 23.20 C ATOM 444 O ASN A 28 12.931 0.181 6.358 1.00 20.02 O ATOM 445 CB ASN A 28 14.300 2.729 7.642 1.00 63.11 C ATOM 446 CG ASN A 28 15.408 3.741 7.939 1.00 21.24 C ATOM 447 OD1 ASN A 28 16.455 3.399 8.499 1.00 23.13 O ATOM 448 ND2 ASN A 28 15.182 5.002 7.578 1.00 71.20 N ATOM 0 H ASN A 28 14.293 4.047 5.467 1.00 24.43 H new ATOM 0 HA ASN A 28 15.248 1.396 6.216 1.00 24.15 H new ATOM 0 HB2 ASN A 28 13.333 3.223 7.738 1.00 63.11 H new ATOM 0 HB3 ASN A 28 14.330 1.939 8.392 1.00 63.11 H new ATOM 0 HD21 ASN A 28 15.884 5.719 7.762 1.00 71.20 H new ATOM 0 HD22 ASN A 28 14.307 5.252 7.117 1.00 71.20 H new ATOM 455 N VAL A 29 12.207 1.948 5.111 1.00 73.23 N ATOM 456 CA VAL A 29 10.953 1.313 4.650 1.00 11.15 C ATOM 457 C VAL A 29 11.259 0.187 3.638 1.00 43.02 C ATOM 458 O VAL A 29 12.014 0.393 2.679 1.00 41.12 O ATOM 459 CB VAL A 29 9.956 2.336 3.970 1.00 54.33 C ATOM 460 CG1 VAL A 29 8.658 1.636 3.497 1.00 20.45 C ATOM 461 CG2 VAL A 29 9.618 3.506 4.910 1.00 72.40 C ATOM 0 H VAL A 29 12.326 2.907 4.785 1.00 73.23 H new ATOM 0 HA VAL A 29 10.473 0.912 5.543 1.00 11.15 H new ATOM 0 HB VAL A 29 10.465 2.739 3.094 1.00 54.33 H new ATOM 0 HG11 VAL A 29 7.997 2.369 3.035 1.00 20.45 H new ATOM 0 HG12 VAL A 29 8.906 0.862 2.770 1.00 20.45 H new ATOM 0 HG13 VAL A 29 8.156 1.183 4.352 1.00 20.45 H new ATOM 0 HG21 VAL A 29 8.931 4.188 4.409 1.00 72.40 H new ATOM 0 HG22 VAL A 29 9.151 3.121 5.816 1.00 72.40 H new ATOM 0 HG23 VAL A 29 10.532 4.039 5.171 1.00 72.40 H new ATOM 471 N LYS A 30 10.667 -0.987 3.880 1.00 52.10 N ATOM 472 CA LYS A 30 10.698 -2.129 2.958 1.00 45.10 C ATOM 473 C LYS A 30 9.787 -1.852 1.749 1.00 60.01 C ATOM 474 O LYS A 30 8.702 -1.309 1.911 1.00 70.01 O ATOM 475 CB LYS A 30 10.235 -3.399 3.725 1.00 22.12 C ATOM 476 CG LYS A 30 11.300 -3.987 4.669 1.00 0.20 C ATOM 477 CD LYS A 30 12.435 -4.681 3.891 1.00 34.42 C ATOM 478 CE LYS A 30 11.937 -5.937 3.145 1.00 70.33 C ATOM 479 NZ LYS A 30 13.007 -6.564 2.334 1.00 42.53 N ATOM 0 H LYS A 30 10.144 -1.174 4.736 1.00 52.10 H new ATOM 0 HA LYS A 30 11.710 -2.285 2.585 1.00 45.10 H new ATOM 0 HB2 LYS A 30 9.345 -3.155 4.306 1.00 22.12 H new ATOM 0 HB3 LYS A 30 9.945 -4.161 3.002 1.00 22.12 H new ATOM 0 HG2 LYS A 30 11.717 -3.192 5.287 1.00 0.20 H new ATOM 0 HG3 LYS A 30 10.832 -4.703 5.344 1.00 0.20 H new ATOM 0 HD2 LYS A 30 12.866 -3.981 3.175 1.00 34.42 H new ATOM 0 HD3 LYS A 30 13.231 -4.961 4.582 1.00 34.42 H new ATOM 0 HE2 LYS A 30 11.559 -6.661 3.867 1.00 70.33 H new ATOM 0 HE3 LYS A 30 11.103 -5.667 2.497 1.00 70.33 H new ATOM 0 HZ1 LYS A 30 12.796 -7.574 2.202 1.00 42.53 H new ATOM 0 HZ2 LYS A 30 13.059 -6.097 1.406 1.00 42.53 H new ATOM 0 HZ3 LYS A 30 13.919 -6.462 2.824 1.00 42.53 H new ATOM 493 N THR A 31 10.239 -2.222 0.545 1.00 25.14 N ATOM 494 CA THR A 31 9.464 -2.006 -0.702 1.00 12.53 C ATOM 495 C THR A 31 9.443 -3.301 -1.523 1.00 70.31 C ATOM 496 O THR A 31 10.501 -3.809 -1.910 1.00 51.51 O ATOM 497 CB THR A 31 10.060 -0.831 -1.568 1.00 23.14 C ATOM 498 OG1 THR A 31 11.475 -1.017 -1.749 1.00 44.10 O ATOM 499 CG2 THR A 31 9.805 0.551 -0.934 1.00 25.40 C ATOM 0 H THR A 31 11.141 -2.675 0.398 1.00 25.14 H new ATOM 0 HA THR A 31 8.449 -1.726 -0.422 1.00 12.53 H new ATOM 0 HB THR A 31 9.552 -0.856 -2.532 1.00 23.14 H new ATOM 0 HG1 THR A 31 11.671 -1.974 -1.831 1.00 44.10 H new ATOM 0 HG21 THR A 31 10.234 1.327 -1.568 1.00 25.40 H new ATOM 0 HG22 THR A 31 8.732 0.714 -0.837 1.00 25.40 H new ATOM 0 HG23 THR A 31 10.268 0.590 0.052 1.00 25.40 H new ATOM 507 N VAL A 32 8.236 -3.832 -1.775 1.00 63.52 N ATOM 508 CA VAL A 32 8.038 -5.111 -2.486 1.00 31.13 C ATOM 509 C VAL A 32 7.062 -4.874 -3.659 1.00 44.50 C ATOM 510 O VAL A 32 5.928 -4.473 -3.417 1.00 34.42 O ATOM 511 CB VAL A 32 7.466 -6.228 -1.525 1.00 41.41 C ATOM 512 CG1 VAL A 32 7.399 -7.598 -2.236 1.00 5.45 C ATOM 513 CG2 VAL A 32 8.285 -6.324 -0.216 1.00 41.45 C ATOM 0 H VAL A 32 7.364 -3.386 -1.491 1.00 63.52 H new ATOM 0 HA VAL A 32 9.002 -5.462 -2.856 1.00 31.13 H new ATOM 0 HB VAL A 32 6.450 -5.938 -1.259 1.00 41.41 H new ATOM 0 HG11 VAL A 32 7.002 -8.345 -1.549 1.00 5.45 H new ATOM 0 HG12 VAL A 32 6.749 -7.524 -3.108 1.00 5.45 H new ATOM 0 HG13 VAL A 32 8.399 -7.892 -2.553 1.00 5.45 H new ATOM 0 HG21 VAL A 32 7.864 -7.102 0.421 1.00 41.45 H new ATOM 0 HG22 VAL A 32 9.320 -6.570 -0.452 1.00 41.45 H new ATOM 0 HG23 VAL A 32 8.249 -5.368 0.307 1.00 41.45 H new ATOM 523 N PRO A 33 7.490 -5.086 -4.946 1.00 71.15 N ATOM 524 CA PRO A 33 6.623 -4.851 -6.128 1.00 20.15 C ATOM 525 C PRO A 33 5.634 -6.008 -6.402 1.00 21.43 C ATOM 526 O PRO A 33 5.547 -6.979 -5.632 1.00 20.12 O ATOM 527 CB PRO A 33 7.656 -4.689 -7.266 1.00 1.01 C ATOM 528 CG PRO A 33 8.772 -5.610 -6.878 1.00 21.42 C ATOM 529 CD PRO A 33 8.847 -5.553 -5.360 1.00 22.20 C ATOM 0 HA PRO A 33 5.965 -3.991 -6.002 1.00 20.15 H new ATOM 0 HB2 PRO A 33 7.231 -4.962 -8.232 1.00 1.01 H new ATOM 0 HB3 PRO A 33 8.000 -3.658 -7.349 1.00 1.01 H new ATOM 0 HG2 PRO A 33 8.578 -6.626 -7.222 1.00 21.42 H new ATOM 0 HG3 PRO A 33 9.713 -5.295 -7.328 1.00 21.42 H new ATOM 0 HD2 PRO A 33 9.079 -6.530 -4.935 1.00 22.20 H new ATOM 0 HD3 PRO A 33 9.624 -4.867 -5.025 1.00 22.20 H new ATOM 537 N THR A 34 4.925 -5.896 -7.536 1.00 41.14 N ATOM 538 CA THR A 34 3.823 -6.797 -7.908 1.00 10.45 C ATOM 539 C THR A 34 4.311 -8.217 -8.301 1.00 31.44 C ATOM 540 O THR A 34 3.518 -9.154 -8.314 1.00 4.42 O ATOM 541 CB THR A 34 3.008 -6.184 -9.093 1.00 50.05 C ATOM 542 OG1 THR A 34 3.881 -5.980 -10.214 1.00 71.01 O ATOM 543 CG2 THR A 34 2.338 -4.843 -8.735 1.00 22.53 C ATOM 0 H THR A 34 5.103 -5.169 -8.229 1.00 41.14 H new ATOM 0 HA THR A 34 3.192 -6.901 -7.025 1.00 10.45 H new ATOM 0 HB THR A 34 2.215 -6.892 -9.332 1.00 50.05 H new ATOM 0 HG1 THR A 34 3.356 -5.976 -11.041 1.00 71.01 H new ATOM 0 HG21 THR A 34 1.788 -4.469 -9.599 1.00 22.53 H new ATOM 0 HG22 THR A 34 1.650 -4.991 -7.903 1.00 22.53 H new ATOM 0 HG23 THR A 34 3.102 -4.119 -8.450 1.00 22.53 H new ATOM 551 N LYS A 35 5.610 -8.366 -8.636 1.00 51.11 N ATOM 552 CA LYS A 35 6.185 -9.680 -9.029 1.00 50.03 C ATOM 553 C LYS A 35 6.300 -10.611 -7.810 1.00 73.10 C ATOM 554 O LYS A 35 6.156 -11.833 -7.917 1.00 22.32 O ATOM 555 CB LYS A 35 7.593 -9.511 -9.675 1.00 24.51 C ATOM 556 CG LYS A 35 7.664 -8.497 -10.837 1.00 34.32 C ATOM 557 CD LYS A 35 9.017 -8.538 -11.581 1.00 72.10 C ATOM 558 CE LYS A 35 10.223 -8.251 -10.669 1.00 51.01 C ATOM 559 NZ LYS A 35 11.511 -8.553 -11.357 1.00 75.22 N ATOM 0 H LYS A 35 6.282 -7.599 -8.644 1.00 51.11 H new ATOM 0 HA LYS A 35 5.510 -10.121 -9.762 1.00 50.03 H new ATOM 0 HB2 LYS A 35 8.296 -9.203 -8.901 1.00 24.51 H new ATOM 0 HB3 LYS A 35 7.927 -10.482 -10.040 1.00 24.51 H new ATOM 0 HG2 LYS A 35 6.859 -8.702 -11.543 1.00 34.32 H new ATOM 0 HG3 LYS A 35 7.498 -7.492 -10.448 1.00 34.32 H new ATOM 0 HD2 LYS A 35 9.142 -9.519 -12.039 1.00 72.10 H new ATOM 0 HD3 LYS A 35 9.001 -7.808 -12.390 1.00 72.10 H new ATOM 0 HE2 LYS A 35 10.209 -7.205 -10.363 1.00 51.01 H new ATOM 0 HE3 LYS A 35 10.145 -8.849 -9.761 1.00 51.01 H new ATOM 0 HZ1 LYS A 35 12.304 -8.349 -10.715 1.00 75.22 H new ATOM 0 HZ2 LYS A 35 11.533 -9.557 -11.626 1.00 75.22 H new ATOM 0 HZ3 LYS A 35 11.596 -7.964 -12.210 1.00 75.22 H new ATOM 573 N ASP A 36 6.531 -9.994 -6.646 1.00 10.32 N ATOM 574 CA ASP A 36 6.948 -10.686 -5.422 1.00 2.11 C ATOM 575 C ASP A 36 5.810 -10.695 -4.390 1.00 14.33 C ATOM 576 O ASP A 36 6.057 -10.617 -3.187 1.00 51.21 O ATOM 577 CB ASP A 36 8.231 -9.996 -4.883 1.00 73.42 C ATOM 578 CG ASP A 36 9.374 -10.006 -5.917 1.00 41.14 C ATOM 579 OD1 ASP A 36 10.089 -11.030 -6.020 1.00 43.24 O ATOM 580 OD2 ASP A 36 9.547 -9.002 -6.650 1.00 73.20 O ATOM 0 H ASP A 36 6.432 -8.986 -6.526 1.00 10.32 H new ATOM 0 HA ASP A 36 7.176 -11.731 -5.633 1.00 2.11 H new ATOM 0 HB2 ASP A 36 8.000 -8.967 -4.609 1.00 73.42 H new ATOM 0 HB3 ASP A 36 8.560 -10.502 -3.975 1.00 73.42 H new ATOM 585 N LYS A 37 4.550 -10.828 -4.885 1.00 52.43 N ATOM 586 CA LYS A 37 3.339 -10.970 -4.026 1.00 31.05 C ATOM 587 C LYS A 37 3.395 -12.235 -3.142 1.00 15.03 C ATOM 588 O LYS A 37 2.811 -12.271 -2.053 1.00 72.13 O ATOM 589 CB LYS A 37 2.049 -10.961 -4.883 1.00 74.13 C ATOM 590 CG LYS A 37 1.715 -9.584 -5.502 1.00 23.14 C ATOM 591 CD LYS A 37 0.523 -9.647 -6.485 1.00 53.51 C ATOM 592 CE LYS A 37 0.793 -10.581 -7.683 1.00 71.23 C ATOM 593 NZ LYS A 37 -0.272 -10.498 -8.708 1.00 45.34 N ATOM 0 H LYS A 37 4.344 -10.840 -5.884 1.00 52.43 H new ATOM 0 HA LYS A 37 3.321 -10.109 -3.358 1.00 31.05 H new ATOM 0 HB2 LYS A 37 2.152 -11.693 -5.684 1.00 74.13 H new ATOM 0 HB3 LYS A 37 1.211 -11.282 -4.264 1.00 74.13 H new ATOM 0 HG2 LYS A 37 1.486 -8.877 -4.704 1.00 23.14 H new ATOM 0 HG3 LYS A 37 2.592 -9.202 -6.024 1.00 23.14 H new ATOM 0 HD2 LYS A 37 -0.364 -9.991 -5.953 1.00 53.51 H new ATOM 0 HD3 LYS A 37 0.306 -8.644 -6.852 1.00 53.51 H new ATOM 0 HE2 LYS A 37 1.751 -10.322 -8.135 1.00 71.23 H new ATOM 0 HE3 LYS A 37 0.875 -11.609 -7.329 1.00 71.23 H new ATOM 0 HZ1 LYS A 37 0.068 -10.918 -9.597 1.00 45.34 H new ATOM 0 HZ2 LYS A 37 -1.112 -11.016 -8.379 1.00 45.34 H new ATOM 0 HZ3 LYS A 37 -0.522 -9.501 -8.869 1.00 45.34 H new ATOM 607 N GLU A 38 4.113 -13.254 -3.631 1.00 43.13 N ATOM 608 CA GLU A 38 4.358 -14.510 -2.898 1.00 2.15 C ATOM 609 C GLU A 38 5.298 -14.269 -1.696 1.00 43.11 C ATOM 610 O GLU A 38 5.217 -14.960 -0.680 1.00 64.24 O ATOM 611 CB GLU A 38 4.978 -15.544 -3.868 1.00 42.44 C ATOM 612 CG GLU A 38 4.109 -15.837 -5.108 1.00 22.12 C ATOM 613 CD GLU A 38 4.818 -16.753 -6.123 1.00 40.31 C ATOM 614 OE1 GLU A 38 4.766 -17.992 -5.962 1.00 2.41 O ATOM 615 OE2 GLU A 38 5.459 -16.230 -7.065 1.00 72.10 O ATOM 0 H GLU A 38 4.546 -13.233 -4.555 1.00 43.13 H new ATOM 0 HA GLU A 38 3.413 -14.891 -2.510 1.00 2.15 H new ATOM 0 HB2 GLU A 38 5.952 -15.181 -4.197 1.00 42.44 H new ATOM 0 HB3 GLU A 38 5.150 -16.476 -3.329 1.00 42.44 H new ATOM 0 HG2 GLU A 38 3.176 -16.304 -4.792 1.00 22.12 H new ATOM 0 HG3 GLU A 38 3.846 -14.897 -5.594 1.00 22.12 H new ATOM 622 N LYS A 39 6.185 -13.272 -1.848 1.00 3.12 N ATOM 623 CA LYS A 39 7.196 -12.898 -0.840 1.00 44.25 C ATOM 624 C LYS A 39 6.696 -11.755 0.068 1.00 74.31 C ATOM 625 O LYS A 39 7.287 -11.523 1.113 1.00 33.34 O ATOM 626 CB LYS A 39 8.508 -12.483 -1.562 1.00 50.32 C ATOM 627 CG LYS A 39 9.078 -13.564 -2.513 1.00 22.52 C ATOM 628 CD LYS A 39 10.293 -13.058 -3.325 1.00 44.11 C ATOM 629 CE LYS A 39 10.759 -14.067 -4.381 1.00 25.32 C ATOM 630 NZ LYS A 39 11.760 -13.475 -5.308 1.00 64.40 N ATOM 0 H LYS A 39 6.222 -12.693 -2.687 1.00 3.12 H new ATOM 0 HA LYS A 39 7.384 -13.760 -0.201 1.00 44.25 H new ATOM 0 HB2 LYS A 39 8.323 -11.573 -2.133 1.00 50.32 H new ATOM 0 HB3 LYS A 39 9.261 -12.241 -0.812 1.00 50.32 H new ATOM 0 HG2 LYS A 39 9.373 -14.437 -1.930 1.00 22.52 H new ATOM 0 HG3 LYS A 39 8.296 -13.888 -3.200 1.00 22.52 H new ATOM 0 HD2 LYS A 39 10.033 -12.120 -3.815 1.00 44.11 H new ATOM 0 HD3 LYS A 39 11.117 -12.844 -2.644 1.00 44.11 H new ATOM 0 HE2 LYS A 39 11.192 -14.937 -3.887 1.00 25.32 H new ATOM 0 HE3 LYS A 39 9.899 -14.419 -4.951 1.00 25.32 H new ATOM 0 HZ1 LYS A 39 11.936 -14.132 -6.094 1.00 64.40 H new ATOM 0 HZ2 LYS A 39 11.396 -12.576 -5.683 1.00 64.40 H new ATOM 0 HZ3 LYS A 39 12.648 -13.302 -4.795 1.00 64.40 H new ATOM 644 N VAL A 40 5.602 -11.064 -0.345 1.00 63.24 N ATOM 645 CA VAL A 40 5.010 -9.920 0.405 1.00 30.01 C ATOM 646 C VAL A 40 4.725 -10.294 1.872 1.00 4.40 C ATOM 647 O VAL A 40 5.180 -9.601 2.785 1.00 75.12 O ATOM 648 CB VAL A 40 3.682 -9.409 -0.306 1.00 4.52 C ATOM 649 CG1 VAL A 40 2.748 -8.611 0.642 1.00 44.40 C ATOM 650 CG2 VAL A 40 4.023 -8.563 -1.553 1.00 30.11 C ATOM 0 H VAL A 40 5.104 -11.283 -1.208 1.00 63.24 H new ATOM 0 HA VAL A 40 5.741 -9.111 0.403 1.00 30.01 H new ATOM 0 HB VAL A 40 3.135 -10.302 -0.608 1.00 4.52 H new ATOM 0 HG11 VAL A 40 1.861 -8.292 0.095 1.00 44.40 H new ATOM 0 HG12 VAL A 40 2.450 -9.245 1.478 1.00 44.40 H new ATOM 0 HG13 VAL A 40 3.276 -7.736 1.020 1.00 44.40 H new ATOM 0 HG21 VAL A 40 3.101 -8.223 -2.025 1.00 30.11 H new ATOM 0 HG22 VAL A 40 4.618 -7.700 -1.255 1.00 30.11 H new ATOM 0 HG23 VAL A 40 4.590 -9.169 -2.260 1.00 30.11 H new ATOM 660 N LYS A 41 4.026 -11.424 2.063 1.00 42.22 N ATOM 661 CA LYS A 41 3.616 -11.931 3.379 1.00 1.05 C ATOM 662 C LYS A 41 4.842 -12.179 4.290 1.00 3.30 C ATOM 663 O LYS A 41 4.812 -11.868 5.492 1.00 71.21 O ATOM 664 CB LYS A 41 2.793 -13.232 3.176 1.00 11.10 C ATOM 665 CG LYS A 41 2.171 -13.815 4.460 1.00 72.42 C ATOM 666 CD LYS A 41 1.316 -15.077 4.184 1.00 51.31 C ATOM 667 CE LYS A 41 0.642 -15.616 5.454 1.00 73.32 C ATOM 668 NZ LYS A 41 -0.224 -16.793 5.173 1.00 33.51 N ATOM 0 H LYS A 41 3.725 -12.021 1.292 1.00 42.22 H new ATOM 0 HA LYS A 41 2.998 -11.186 3.879 1.00 1.05 H new ATOM 0 HB2 LYS A 41 1.994 -13.031 2.462 1.00 11.10 H new ATOM 0 HB3 LYS A 41 3.439 -13.987 2.728 1.00 11.10 H new ATOM 0 HG2 LYS A 41 2.965 -14.065 5.164 1.00 72.42 H new ATOM 0 HG3 LYS A 41 1.550 -13.056 4.936 1.00 72.42 H new ATOM 0 HD2 LYS A 41 0.552 -14.840 3.443 1.00 51.31 H new ATOM 0 HD3 LYS A 41 1.948 -15.854 3.754 1.00 51.31 H new ATOM 0 HE2 LYS A 41 1.407 -15.894 6.179 1.00 73.32 H new ATOM 0 HE3 LYS A 41 0.043 -14.827 5.909 1.00 73.32 H new ATOM 0 HZ1 LYS A 41 -0.658 -17.124 6.058 1.00 33.51 H new ATOM 0 HZ2 LYS A 41 -0.970 -16.522 4.501 1.00 33.51 H new ATOM 0 HZ3 LYS A 41 0.351 -17.557 4.763 1.00 33.51 H new ATOM 682 N GLU A 42 5.931 -12.690 3.674 1.00 64.24 N ATOM 683 CA GLU A 42 7.191 -13.011 4.373 1.00 2.42 C ATOM 684 C GLU A 42 7.847 -11.708 4.861 1.00 43.31 C ATOM 685 O GLU A 42 8.178 -11.573 6.040 1.00 33.01 O ATOM 686 CB GLU A 42 8.178 -13.795 3.439 1.00 71.13 C ATOM 687 CG GLU A 42 7.534 -14.893 2.556 1.00 42.14 C ATOM 688 CD GLU A 42 6.655 -15.889 3.335 1.00 31.52 C ATOM 689 OE1 GLU A 42 7.212 -16.758 4.044 1.00 21.20 O ATOM 690 OE2 GLU A 42 5.408 -15.812 3.240 1.00 42.41 O ATOM 0 H GLU A 42 5.959 -12.891 2.674 1.00 64.24 H new ATOM 0 HA GLU A 42 6.962 -13.651 5.225 1.00 2.42 H new ATOM 0 HB2 GLU A 42 8.680 -13.079 2.788 1.00 71.13 H new ATOM 0 HB3 GLU A 42 8.947 -14.257 4.059 1.00 71.13 H new ATOM 0 HG2 GLU A 42 6.929 -14.416 1.785 1.00 42.14 H new ATOM 0 HG3 GLU A 42 8.324 -15.444 2.046 1.00 42.14 H new ATOM 697 N GLU A 43 7.960 -10.735 3.930 1.00 3.31 N ATOM 698 CA GLU A 43 8.618 -9.435 4.178 1.00 54.04 C ATOM 699 C GLU A 43 7.825 -8.567 5.179 1.00 30.20 C ATOM 700 O GLU A 43 8.408 -7.700 5.833 1.00 62.24 O ATOM 701 CB GLU A 43 8.830 -8.663 2.846 1.00 11.34 C ATOM 702 CG GLU A 43 9.586 -9.445 1.750 1.00 42.43 C ATOM 703 CD GLU A 43 10.936 -10.007 2.220 1.00 1.33 C ATOM 704 OE1 GLU A 43 11.900 -9.220 2.352 1.00 72.33 O ATOM 705 OE2 GLU A 43 11.047 -11.229 2.471 1.00 40.25 O ATOM 0 H GLU A 43 7.596 -10.831 2.982 1.00 3.31 H new ATOM 0 HA GLU A 43 9.590 -9.647 4.623 1.00 54.04 H new ATOM 0 HB2 GLU A 43 7.856 -8.370 2.455 1.00 11.34 H new ATOM 0 HB3 GLU A 43 9.378 -7.745 3.059 1.00 11.34 H new ATOM 0 HG2 GLU A 43 8.960 -10.267 1.404 1.00 42.43 H new ATOM 0 HG3 GLU A 43 9.752 -8.789 0.895 1.00 42.43 H new ATOM 712 N ILE A 44 6.494 -8.792 5.258 1.00 41.00 N ATOM 713 CA ILE A 44 5.608 -8.156 6.259 1.00 51.14 C ATOM 714 C ILE A 44 5.912 -8.708 7.661 1.00 3.15 C ATOM 715 O ILE A 44 6.017 -7.942 8.624 1.00 72.51 O ATOM 716 CB ILE A 44 4.080 -8.378 5.904 1.00 33.03 C ATOM 717 CG1 ILE A 44 3.684 -7.531 4.657 1.00 24.40 C ATOM 718 CG2 ILE A 44 3.134 -8.078 7.105 1.00 45.22 C ATOM 719 CD1 ILE A 44 2.251 -7.700 4.209 1.00 23.32 C ATOM 0 H ILE A 44 6.002 -9.423 4.626 1.00 41.00 H new ATOM 0 HA ILE A 44 5.802 -7.084 6.245 1.00 51.14 H new ATOM 0 HB ILE A 44 3.956 -9.435 5.669 1.00 33.03 H new ATOM 0 HG12 ILE A 44 3.859 -6.478 4.879 1.00 24.40 H new ATOM 0 HG13 ILE A 44 4.343 -7.796 3.830 1.00 24.40 H new ATOM 0 HG21 ILE A 44 2.100 -8.247 6.805 1.00 45.22 H new ATOM 0 HG22 ILE A 44 3.382 -8.737 7.937 1.00 45.22 H new ATOM 0 HG23 ILE A 44 3.257 -7.040 7.415 1.00 45.22 H new ATOM 0 HD11 ILE A 44 2.066 -7.073 3.336 1.00 23.32 H new ATOM 0 HD12 ILE A 44 2.071 -8.744 3.951 1.00 23.32 H new ATOM 0 HD13 ILE A 44 1.580 -7.405 5.016 1.00 23.32 H new ATOM 731 N GLU A 45 6.060 -10.045 7.752 1.00 65.11 N ATOM 732 CA GLU A 45 6.394 -10.734 9.016 1.00 22.14 C ATOM 733 C GLU A 45 7.802 -10.311 9.507 1.00 43.31 C ATOM 734 O GLU A 45 8.075 -10.262 10.713 1.00 53.52 O ATOM 735 CB GLU A 45 6.299 -12.267 8.845 1.00 53.43 C ATOM 736 CG GLU A 45 6.385 -13.059 10.166 1.00 50.40 C ATOM 737 CD GLU A 45 6.360 -14.580 9.966 1.00 40.14 C ATOM 738 OE1 GLU A 45 5.313 -15.106 9.529 1.00 53.22 O ATOM 739 OE2 GLU A 45 7.382 -15.249 10.231 1.00 75.32 O ATOM 0 H GLU A 45 5.952 -10.675 6.957 1.00 65.11 H new ATOM 0 HA GLU A 45 5.669 -10.439 9.774 1.00 22.14 H new ATOM 0 HB2 GLU A 45 5.358 -12.508 8.351 1.00 53.43 H new ATOM 0 HB3 GLU A 45 7.100 -12.598 8.184 1.00 53.43 H new ATOM 0 HG2 GLU A 45 7.302 -12.783 10.687 1.00 50.40 H new ATOM 0 HG3 GLU A 45 5.553 -12.771 10.809 1.00 50.40 H new ATOM 746 N LYS A 46 8.671 -10.010 8.540 1.00 2.22 N ATOM 747 CA LYS A 46 10.007 -9.454 8.778 1.00 62.44 C ATOM 748 C LYS A 46 9.941 -7.960 9.148 1.00 53.15 C ATOM 749 O LYS A 46 10.729 -7.505 9.962 1.00 42.24 O ATOM 750 CB LYS A 46 10.882 -9.680 7.527 1.00 53.01 C ATOM 751 CG LYS A 46 11.137 -11.175 7.212 1.00 44.11 C ATOM 752 CD LYS A 46 11.716 -11.401 5.800 1.00 63.52 C ATOM 753 CE LYS A 46 13.039 -10.667 5.556 1.00 23.33 C ATOM 754 NZ LYS A 46 13.553 -10.905 4.182 1.00 41.20 N ATOM 0 H LYS A 46 8.463 -10.148 7.551 1.00 2.22 H new ATOM 0 HA LYS A 46 10.456 -9.969 9.628 1.00 62.44 H new ATOM 0 HB2 LYS A 46 10.401 -9.213 6.668 1.00 53.01 H new ATOM 0 HB3 LYS A 46 11.839 -9.178 7.668 1.00 53.01 H new ATOM 0 HG2 LYS A 46 11.825 -11.585 7.951 1.00 44.11 H new ATOM 0 HG3 LYS A 46 10.201 -11.726 7.308 1.00 44.11 H new ATOM 0 HD2 LYS A 46 11.869 -12.469 5.645 1.00 63.52 H new ATOM 0 HD3 LYS A 46 10.986 -11.073 5.060 1.00 63.52 H new ATOM 0 HE2 LYS A 46 12.896 -9.598 5.711 1.00 23.33 H new ATOM 0 HE3 LYS A 46 13.779 -10.999 6.284 1.00 23.33 H new ATOM 0 HZ1 LYS A 46 14.583 -10.761 4.167 1.00 41.20 H new ATOM 0 HZ2 LYS A 46 13.335 -11.880 3.894 1.00 41.20 H new ATOM 0 HZ3 LYS A 46 13.101 -10.240 3.522 1.00 41.20 H new ATOM 768 N ALA A 47 8.986 -7.208 8.556 1.00 13.42 N ATOM 769 CA ALA A 47 8.850 -5.746 8.782 1.00 33.22 C ATOM 770 C ALA A 47 8.432 -5.448 10.235 1.00 31.33 C ATOM 771 O ALA A 47 9.020 -4.588 10.889 1.00 71.34 O ATOM 772 CB ALA A 47 7.846 -5.134 7.791 1.00 11.23 C ATOM 0 H ALA A 47 8.292 -7.590 7.913 1.00 13.42 H new ATOM 0 HA ALA A 47 9.824 -5.287 8.611 1.00 33.22 H new ATOM 0 HB1 ALA A 47 7.761 -4.063 7.974 1.00 11.23 H new ATOM 0 HB2 ALA A 47 8.193 -5.302 6.771 1.00 11.23 H new ATOM 0 HB3 ALA A 47 6.871 -5.603 7.924 1.00 11.23 H new ATOM 778 N ARG A 48 7.423 -6.196 10.719 1.00 12.14 N ATOM 779 CA ARG A 48 6.957 -6.139 12.130 1.00 23.30 C ATOM 780 C ARG A 48 8.050 -6.625 13.108 1.00 31.34 C ATOM 781 O ARG A 48 8.110 -6.173 14.255 1.00 54.32 O ATOM 782 CB ARG A 48 5.664 -6.983 12.311 1.00 75.41 C ATOM 783 CG ARG A 48 5.775 -8.433 11.828 1.00 64.12 C ATOM 784 CD ARG A 48 4.484 -9.272 11.985 1.00 72.53 C ATOM 785 NE ARG A 48 4.333 -9.864 13.322 1.00 40.01 N ATOM 786 CZ ARG A 48 5.095 -10.861 13.824 1.00 40.31 C ATOM 787 NH1 ARG A 48 6.109 -11.384 13.131 1.00 22.24 N ATOM 788 NH2 ARG A 48 4.798 -11.370 15.012 1.00 3.43 N ATOM 0 H ARG A 48 6.902 -6.861 10.147 1.00 12.14 H new ATOM 0 HA ARG A 48 6.737 -5.097 12.362 1.00 23.30 H new ATOM 0 HB2 ARG A 48 5.392 -6.985 13.367 1.00 75.41 H new ATOM 0 HB3 ARG A 48 4.850 -6.496 11.774 1.00 75.41 H new ATOM 0 HG2 ARG A 48 6.063 -8.430 10.777 1.00 64.12 H new ATOM 0 HG3 ARG A 48 6.579 -8.923 12.377 1.00 64.12 H new ATOM 0 HD2 ARG A 48 3.621 -8.640 11.776 1.00 72.53 H new ATOM 0 HD3 ARG A 48 4.484 -10.068 11.241 1.00 72.53 H new ATOM 0 HE ARG A 48 3.594 -9.493 13.919 1.00 40.01 H new ATOM 0 HH11 ARG A 48 6.325 -11.032 12.198 1.00 22.24 H new ATOM 0 HH12 ARG A 48 6.668 -12.136 13.534 1.00 22.24 H new ATOM 0 HH21 ARG A 48 4.002 -11.009 15.537 1.00 3.43 H new ATOM 0 HH22 ARG A 48 5.366 -12.123 15.401 1.00 3.43 H new ATOM 802 N LYS A 49 8.898 -7.563 12.633 1.00 42.24 N ATOM 803 CA LYS A 49 10.082 -8.042 13.374 1.00 73.02 C ATOM 804 C LYS A 49 11.123 -6.913 13.512 1.00 32.22 C ATOM 805 O LYS A 49 11.726 -6.736 14.572 1.00 4.04 O ATOM 806 CB LYS A 49 10.691 -9.284 12.654 1.00 4.44 C ATOM 807 CG LYS A 49 12.066 -9.752 13.188 1.00 13.52 C ATOM 808 CD LYS A 49 12.612 -11.005 12.459 1.00 70.35 C ATOM 809 CE LYS A 49 11.759 -12.263 12.694 1.00 52.32 C ATOM 810 NZ LYS A 49 11.647 -12.606 14.139 1.00 63.23 N ATOM 0 H LYS A 49 8.779 -8.009 11.723 1.00 42.24 H new ATOM 0 HA LYS A 49 9.779 -8.341 14.378 1.00 73.02 H new ATOM 0 HB2 LYS A 49 9.987 -10.112 12.737 1.00 4.44 H new ATOM 0 HB3 LYS A 49 10.791 -9.055 11.593 1.00 4.44 H new ATOM 0 HG2 LYS A 49 12.784 -8.938 13.085 1.00 13.52 H new ATOM 0 HG3 LYS A 49 11.980 -9.968 14.253 1.00 13.52 H new ATOM 0 HD2 LYS A 49 12.661 -10.802 11.389 1.00 70.35 H new ATOM 0 HD3 LYS A 49 13.631 -11.197 12.794 1.00 70.35 H new ATOM 0 HE2 LYS A 49 10.762 -12.106 12.281 1.00 52.32 H new ATOM 0 HE3 LYS A 49 12.198 -13.103 12.156 1.00 52.32 H new ATOM 0 HZ1 LYS A 49 11.212 -13.545 14.240 1.00 63.23 H new ATOM 0 HZ2 LYS A 49 12.594 -12.616 14.568 1.00 63.23 H new ATOM 0 HZ3 LYS A 49 11.057 -11.897 14.619 1.00 63.23 H new ATOM 824 N GLN A 50 11.287 -6.136 12.429 1.00 43.43 N ATOM 825 CA GLN A 50 12.237 -5.013 12.364 1.00 71.31 C ATOM 826 C GLN A 50 11.634 -3.733 12.981 1.00 52.51 C ATOM 827 O GLN A 50 12.353 -2.749 13.174 1.00 63.33 O ATOM 828 CB GLN A 50 12.656 -4.756 10.889 1.00 44.15 C ATOM 829 CG GLN A 50 13.361 -5.940 10.160 1.00 54.24 C ATOM 830 CD GLN A 50 14.831 -6.232 10.549 1.00 31.30 C ATOM 831 OE1 GLN A 50 15.613 -6.679 9.704 1.00 20.42 O ATOM 832 NE2 GLN A 50 15.234 -6.019 11.793 1.00 62.44 N ATOM 0 H GLN A 50 10.759 -6.271 11.566 1.00 43.43 H new ATOM 0 HA GLN A 50 13.120 -5.280 12.945 1.00 71.31 H new ATOM 0 HB2 GLN A 50 11.766 -4.485 10.322 1.00 44.15 H new ATOM 0 HB3 GLN A 50 13.323 -3.894 10.867 1.00 44.15 H new ATOM 0 HG2 GLN A 50 12.778 -6.843 10.339 1.00 54.24 H new ATOM 0 HG3 GLN A 50 13.327 -5.746 9.088 1.00 54.24 H new ATOM 0 HE21 GLN A 50 14.581 -5.650 12.484 1.00 62.44 H new ATOM 0 HE22 GLN A 50 16.197 -6.224 12.059 1.00 62.44 H new ATOM 841 N GLY A 51 10.312 -3.754 13.266 1.00 51.12 N ATOM 842 CA GLY A 51 9.604 -2.603 13.839 1.00 74.33 C ATOM 843 C GLY A 51 9.539 -1.418 12.881 1.00 31.50 C ATOM 844 O GLY A 51 9.641 -0.258 13.297 1.00 31.03 O ATOM 0 H GLY A 51 9.716 -4.566 13.104 1.00 51.12 H new ATOM 0 HA2 GLY A 51 8.592 -2.902 14.110 1.00 74.33 H new ATOM 0 HA3 GLY A 51 10.102 -2.295 14.758 1.00 74.33 H new ATOM 848 N ARG A 52 9.363 -1.726 11.589 1.00 61.01 N ATOM 849 CA ARG A 52 9.425 -0.751 10.488 1.00 72.43 C ATOM 850 C ARG A 52 8.260 -0.967 9.499 1.00 41.24 C ATOM 851 O ARG A 52 7.721 -2.080 9.406 1.00 45.23 O ATOM 852 CB ARG A 52 10.808 -0.855 9.760 1.00 14.42 C ATOM 853 CG ARG A 52 11.938 -0.083 10.474 1.00 64.12 C ATOM 854 CD ARG A 52 13.285 -0.168 9.746 1.00 22.20 C ATOM 855 NE ARG A 52 13.923 -1.490 9.882 1.00 51.42 N ATOM 856 CZ ARG A 52 14.599 -2.133 8.914 1.00 41.43 C ATOM 857 NH1 ARG A 52 14.724 -1.609 7.696 1.00 2.34 N ATOM 858 NH2 ARG A 52 15.196 -3.278 9.194 1.00 11.02 N ATOM 0 H ARG A 52 9.170 -2.676 11.272 1.00 61.01 H new ATOM 0 HA ARG A 52 9.326 0.253 10.901 1.00 72.43 H new ATOM 0 HB2 ARG A 52 11.090 -1.905 9.680 1.00 14.42 H new ATOM 0 HB3 ARG A 52 10.704 -0.475 8.744 1.00 14.42 H new ATOM 0 HG2 ARG A 52 11.650 0.964 10.569 1.00 64.12 H new ATOM 0 HG3 ARG A 52 12.054 -0.475 11.485 1.00 64.12 H new ATOM 0 HD2 ARG A 52 13.136 0.052 8.689 1.00 22.20 H new ATOM 0 HD3 ARG A 52 13.955 0.596 10.140 1.00 22.20 H new ATOM 0 HE ARG A 52 13.845 -1.956 10.786 1.00 51.42 H new ATOM 0 HH11 ARG A 52 14.303 -0.704 7.484 1.00 2.34 H new ATOM 0 HH12 ARG A 52 15.241 -2.112 6.975 1.00 2.34 H new ATOM 0 HH21 ARG A 52 15.141 -3.665 10.136 1.00 11.02 H new ATOM 0 HH22 ARG A 52 15.712 -3.775 8.468 1.00 11.02 H new ATOM 872 N PRO A 53 7.821 0.116 8.777 1.00 63.23 N ATOM 873 CA PRO A 53 6.818 0.003 7.705 1.00 14.41 C ATOM 874 C PRO A 53 7.342 -0.723 6.448 1.00 63.14 C ATOM 875 O PRO A 53 8.556 -0.821 6.209 1.00 42.50 O ATOM 876 CB PRO A 53 6.442 1.475 7.395 1.00 11.01 C ATOM 877 CG PRO A 53 7.635 2.268 7.813 1.00 55.12 C ATOM 878 CD PRO A 53 8.219 1.538 9.001 1.00 12.14 C ATOM 0 HA PRO A 53 5.968 -0.604 8.018 1.00 14.41 H new ATOM 0 HB2 PRO A 53 6.226 1.614 6.336 1.00 11.01 H new ATOM 0 HB3 PRO A 53 5.552 1.780 7.945 1.00 11.01 H new ATOM 0 HG2 PRO A 53 8.361 2.339 7.003 1.00 55.12 H new ATOM 0 HG3 PRO A 53 7.354 3.287 8.080 1.00 55.12 H new ATOM 0 HD2 PRO A 53 9.303 1.648 9.045 1.00 12.14 H new ATOM 0 HD3 PRO A 53 7.822 1.921 9.941 1.00 12.14 H new ATOM 886 N ILE A 54 6.389 -1.220 5.660 1.00 73.41 N ATOM 887 CA ILE A 54 6.627 -1.853 4.367 1.00 14.45 C ATOM 888 C ILE A 54 5.565 -1.336 3.387 1.00 4.35 C ATOM 889 O ILE A 54 4.366 -1.473 3.637 1.00 13.52 O ATOM 890 CB ILE A 54 6.578 -3.435 4.480 1.00 73.34 C ATOM 891 CG1 ILE A 54 6.661 -4.113 3.071 1.00 42.12 C ATOM 892 CG2 ILE A 54 5.337 -3.921 5.272 1.00 32.31 C ATOM 893 CD1 ILE A 54 6.675 -5.631 3.094 1.00 33.24 C ATOM 0 H ILE A 54 5.401 -1.191 5.913 1.00 73.41 H new ATOM 0 HA ILE A 54 7.624 -1.598 4.008 1.00 14.45 H new ATOM 0 HB ILE A 54 7.458 -3.743 5.045 1.00 73.34 H new ATOM 0 HG12 ILE A 54 5.812 -3.781 2.473 1.00 42.12 H new ATOM 0 HG13 ILE A 54 7.562 -3.763 2.568 1.00 42.12 H new ATOM 0 HG21 ILE A 54 5.343 -5.010 5.325 1.00 32.31 H new ATOM 0 HG22 ILE A 54 5.364 -3.508 6.280 1.00 32.31 H new ATOM 0 HG23 ILE A 54 4.430 -3.587 4.768 1.00 32.31 H new ATOM 0 HD11 ILE A 54 6.734 -6.010 2.074 1.00 33.24 H new ATOM 0 HD12 ILE A 54 7.539 -5.978 3.661 1.00 33.24 H new ATOM 0 HD13 ILE A 54 5.762 -5.996 3.564 1.00 33.24 H new ATOM 905 N VAL A 55 6.002 -0.704 2.291 1.00 15.13 N ATOM 906 CA VAL A 55 5.109 -0.297 1.212 1.00 0.53 C ATOM 907 C VAL A 55 5.138 -1.385 0.129 1.00 11.11 C ATOM 908 O VAL A 55 6.124 -1.552 -0.599 1.00 61.45 O ATOM 909 CB VAL A 55 5.482 1.110 0.613 1.00 73.50 C ATOM 910 CG1 VAL A 55 4.493 1.518 -0.497 1.00 71.12 C ATOM 911 CG2 VAL A 55 5.527 2.190 1.718 1.00 42.22 C ATOM 0 H VAL A 55 6.981 -0.464 2.132 1.00 15.13 H new ATOM 0 HA VAL A 55 4.102 -0.188 1.614 1.00 0.53 H new ATOM 0 HB VAL A 55 6.476 1.029 0.174 1.00 73.50 H new ATOM 0 HG11 VAL A 55 4.774 2.494 -0.894 1.00 71.12 H new ATOM 0 HG12 VAL A 55 4.520 0.779 -1.298 1.00 71.12 H new ATOM 0 HG13 VAL A 55 3.485 1.570 -0.085 1.00 71.12 H new ATOM 0 HG21 VAL A 55 5.787 3.152 1.276 1.00 42.22 H new ATOM 0 HG22 VAL A 55 4.550 2.262 2.196 1.00 42.22 H new ATOM 0 HG23 VAL A 55 6.276 1.918 2.462 1.00 42.22 H new ATOM 921 N VAL A 56 4.048 -2.146 0.092 1.00 23.20 N ATOM 922 CA VAL A 56 3.782 -3.189 -0.889 1.00 34.21 C ATOM 923 C VAL A 56 3.078 -2.564 -2.100 1.00 15.23 C ATOM 924 O VAL A 56 2.240 -1.674 -1.943 1.00 54.23 O ATOM 925 CB VAL A 56 2.866 -4.303 -0.270 1.00 44.42 C ATOM 926 CG1 VAL A 56 2.496 -5.389 -1.305 1.00 70.02 C ATOM 927 CG2 VAL A 56 3.523 -4.922 0.989 1.00 34.25 C ATOM 0 H VAL A 56 3.296 -2.047 0.774 1.00 23.20 H new ATOM 0 HA VAL A 56 4.725 -3.643 -1.194 1.00 34.21 H new ATOM 0 HB VAL A 56 1.934 -3.827 0.035 1.00 44.42 H new ATOM 0 HG11 VAL A 56 1.862 -6.140 -0.834 1.00 70.02 H new ATOM 0 HG12 VAL A 56 1.960 -4.931 -2.137 1.00 70.02 H new ATOM 0 HG13 VAL A 56 3.405 -5.863 -1.676 1.00 70.02 H new ATOM 0 HG21 VAL A 56 2.869 -5.691 1.400 1.00 34.25 H new ATOM 0 HG22 VAL A 56 4.481 -5.366 0.718 1.00 34.25 H new ATOM 0 HG23 VAL A 56 3.682 -4.144 1.736 1.00 34.25 H new ATOM 937 N PHE A 57 3.446 -3.014 -3.299 1.00 11.24 N ATOM 938 CA PHE A 57 2.864 -2.549 -4.554 1.00 71.10 C ATOM 939 C PHE A 57 2.074 -3.692 -5.179 1.00 62.35 C ATOM 940 O PHE A 57 2.626 -4.742 -5.517 1.00 21.44 O ATOM 941 CB PHE A 57 3.979 -2.007 -5.478 1.00 34.14 C ATOM 942 CG PHE A 57 4.635 -0.763 -4.879 1.00 43.31 C ATOM 943 CD1 PHE A 57 4.039 0.491 -5.032 1.00 54.43 C ATOM 944 CD2 PHE A 57 5.801 -0.853 -4.115 1.00 41.11 C ATOM 945 CE1 PHE A 57 4.586 1.611 -4.448 1.00 61.04 C ATOM 946 CE2 PHE A 57 6.349 0.273 -3.537 1.00 32.43 C ATOM 947 CZ PHE A 57 5.740 1.503 -3.704 1.00 53.52 C ATOM 0 H PHE A 57 4.168 -3.723 -3.426 1.00 11.24 H new ATOM 0 HA PHE A 57 2.173 -1.723 -4.384 1.00 71.10 H new ATOM 0 HB2 PHE A 57 4.732 -2.779 -5.635 1.00 34.14 H new ATOM 0 HB3 PHE A 57 3.561 -1.766 -6.455 1.00 34.14 H new ATOM 0 HD1 PHE A 57 3.136 0.583 -5.617 1.00 54.43 H new ATOM 0 HD2 PHE A 57 6.277 -1.812 -3.976 1.00 41.11 H new ATOM 0 HE1 PHE A 57 4.111 2.573 -4.573 1.00 61.04 H new ATOM 0 HE2 PHE A 57 7.254 0.194 -2.954 1.00 32.43 H new ATOM 0 HZ PHE A 57 6.171 2.383 -3.249 1.00 53.52 H new ATOM 957 N VAL A 58 0.762 -3.489 -5.227 1.00 30.21 N ATOM 958 CA VAL A 58 -0.223 -4.426 -5.763 1.00 23.14 C ATOM 959 C VAL A 58 -0.931 -3.737 -6.937 1.00 32.42 C ATOM 960 O VAL A 58 -1.262 -2.561 -6.844 1.00 2.13 O ATOM 961 CB VAL A 58 -1.262 -4.817 -4.632 1.00 52.21 C ATOM 962 CG1 VAL A 58 -2.414 -5.687 -5.173 1.00 73.43 C ATOM 963 CG2 VAL A 58 -0.547 -5.522 -3.451 1.00 74.23 C ATOM 0 H VAL A 58 0.336 -2.630 -4.879 1.00 30.21 H new ATOM 0 HA VAL A 58 0.258 -5.342 -6.105 1.00 23.14 H new ATOM 0 HB VAL A 58 -1.706 -3.890 -4.269 1.00 52.21 H new ATOM 0 HG11 VAL A 58 -3.100 -5.929 -4.361 1.00 73.43 H new ATOM 0 HG12 VAL A 58 -2.949 -5.140 -5.949 1.00 73.43 H new ATOM 0 HG13 VAL A 58 -2.009 -6.608 -5.592 1.00 73.43 H new ATOM 0 HG21 VAL A 58 -1.278 -5.782 -2.686 1.00 74.23 H new ATOM 0 HG22 VAL A 58 -0.059 -6.428 -3.810 1.00 74.23 H new ATOM 0 HG23 VAL A 58 0.200 -4.852 -3.026 1.00 74.23 H new ATOM 973 N ARG A 59 -1.120 -4.441 -8.056 1.00 43.12 N ATOM 974 CA ARG A 59 -1.925 -3.931 -9.178 1.00 62.45 C ATOM 975 C ARG A 59 -3.405 -4.242 -8.870 1.00 24.25 C ATOM 976 O ARG A 59 -3.697 -5.271 -8.249 1.00 44.30 O ATOM 977 CB ARG A 59 -1.422 -4.552 -10.519 1.00 13.22 C ATOM 978 CG ARG A 59 -1.958 -3.901 -11.829 1.00 62.43 C ATOM 979 CD ARG A 59 -3.317 -4.457 -12.292 1.00 1.00 C ATOM 980 NE ARG A 59 -3.231 -5.893 -12.630 1.00 31.14 N ATOM 981 CZ ARG A 59 -4.179 -6.614 -13.259 1.00 75.12 C ATOM 982 NH1 ARG A 59 -5.330 -6.067 -13.631 1.00 42.43 N ATOM 983 NH2 ARG A 59 -3.957 -7.896 -13.525 1.00 50.34 N ATOM 0 H ARG A 59 -0.727 -5.369 -8.213 1.00 43.12 H new ATOM 0 HA ARG A 59 -1.822 -2.852 -9.295 1.00 62.45 H new ATOM 0 HB2 ARG A 59 -0.333 -4.500 -10.532 1.00 13.22 H new ATOM 0 HB3 ARG A 59 -1.690 -5.608 -10.528 1.00 13.22 H new ATOM 0 HG2 ARG A 59 -2.049 -2.825 -11.677 1.00 62.43 H new ATOM 0 HG3 ARG A 59 -1.226 -4.050 -12.623 1.00 62.43 H new ATOM 0 HD2 ARG A 59 -4.057 -4.312 -11.505 1.00 1.00 H new ATOM 0 HD3 ARG A 59 -3.662 -3.898 -13.162 1.00 1.00 H new ATOM 0 HE ARG A 59 -2.377 -6.382 -12.363 1.00 31.14 H new ATOM 0 HH11 ARG A 59 -5.511 -5.081 -13.442 1.00 42.43 H new ATOM 0 HH12 ARG A 59 -6.033 -6.633 -14.106 1.00 42.43 H new ATOM 0 HH21 ARG A 59 -3.074 -8.328 -13.253 1.00 50.34 H new ATOM 0 HH22 ARG A 59 -4.670 -8.449 -14.001 1.00 50.34 H new ATOM 997 N GLY A 60 -4.315 -3.348 -9.311 1.00 10.15 N ATOM 998 CA GLY A 60 -5.748 -3.380 -8.947 1.00 43.33 C ATOM 999 C GLY A 60 -6.490 -4.704 -9.224 1.00 32.33 C ATOM 1000 O GLY A 60 -7.583 -4.914 -8.688 1.00 23.43 O ATOM 0 H GLY A 60 -4.074 -2.578 -9.935 1.00 10.15 H new ATOM 0 HA2 GLY A 60 -5.837 -3.153 -7.885 1.00 43.33 H new ATOM 0 HA3 GLY A 60 -6.257 -2.582 -9.488 1.00 43.33 H new ATOM 1004 N GLY A 61 -5.910 -5.570 -10.093 1.00 12.11 N ATOM 1005 CA GLY A 61 -6.460 -6.911 -10.368 1.00 11.20 C ATOM 1006 C GLY A 61 -6.467 -7.801 -9.126 1.00 0.22 C ATOM 1007 O GLY A 61 -7.403 -8.578 -8.914 1.00 42.33 O ATOM 0 H GLY A 61 -5.059 -5.357 -10.614 1.00 12.11 H new ATOM 0 HA2 GLY A 61 -7.477 -6.813 -10.748 1.00 11.20 H new ATOM 0 HA3 GLY A 61 -5.872 -7.389 -11.151 1.00 11.20 H new ATOM 1011 N ASP A 62 -5.431 -7.648 -8.290 1.00 54.52 N ATOM 1012 CA ASP A 62 -5.285 -8.370 -7.012 1.00 32.51 C ATOM 1013 C ASP A 62 -5.936 -7.582 -5.857 1.00 32.33 C ATOM 1014 O ASP A 62 -5.364 -7.462 -4.768 1.00 22.43 O ATOM 1015 CB ASP A 62 -3.780 -8.621 -6.743 1.00 10.40 C ATOM 1016 CG ASP A 62 -3.157 -9.591 -7.751 1.00 73.24 C ATOM 1017 OD1 ASP A 62 -2.838 -9.155 -8.872 1.00 32.52 O ATOM 1018 OD2 ASP A 62 -2.963 -10.786 -7.428 1.00 51.05 O ATOM 0 H ASP A 62 -4.658 -7.011 -8.482 1.00 54.52 H new ATOM 0 HA ASP A 62 -5.800 -9.329 -7.076 1.00 32.51 H new ATOM 0 HB2 ASP A 62 -3.245 -7.672 -6.779 1.00 10.40 H new ATOM 0 HB3 ASP A 62 -3.656 -9.019 -5.736 1.00 10.40 H new ATOM 1023 N ASP A 63 -7.163 -7.089 -6.104 1.00 5.11 N ATOM 1024 CA ASP A 63 -7.946 -6.313 -5.121 1.00 40.00 C ATOM 1025 C ASP A 63 -8.366 -7.190 -3.917 1.00 52.31 C ATOM 1026 O ASP A 63 -8.476 -6.693 -2.788 1.00 33.13 O ATOM 1027 CB ASP A 63 -9.184 -5.691 -5.816 1.00 62.54 C ATOM 1028 CG ASP A 63 -9.966 -4.720 -4.911 1.00 24.13 C ATOM 1029 OD1 ASP A 63 -9.524 -3.563 -4.737 1.00 34.45 O ATOM 1030 OD2 ASP A 63 -11.010 -5.114 -4.341 1.00 1.41 O ATOM 0 H ASP A 63 -7.643 -7.217 -6.995 1.00 5.11 H new ATOM 0 HA ASP A 63 -7.319 -5.511 -4.731 1.00 40.00 H new ATOM 0 HB2 ASP A 63 -8.861 -5.161 -6.712 1.00 62.54 H new ATOM 0 HB3 ASP A 63 -9.850 -6.491 -6.141 1.00 62.54 H new ATOM 1035 N GLU A 64 -8.579 -8.494 -4.186 1.00 50.23 N ATOM 1036 CA GLU A 64 -8.885 -9.507 -3.152 1.00 21.02 C ATOM 1037 C GLU A 64 -7.644 -9.804 -2.306 1.00 23.22 C ATOM 1038 O GLU A 64 -7.748 -9.952 -1.091 1.00 3.54 O ATOM 1039 CB GLU A 64 -9.426 -10.827 -3.777 1.00 41.33 C ATOM 1040 CG GLU A 64 -10.878 -10.756 -4.293 1.00 70.42 C ATOM 1041 CD GLU A 64 -11.118 -9.673 -5.359 1.00 64.53 C ATOM 1042 OE1 GLU A 64 -10.551 -9.786 -6.466 1.00 13.44 O ATOM 1043 OE2 GLU A 64 -11.880 -8.713 -5.098 1.00 53.42 O ATOM 0 H GLU A 64 -8.544 -8.877 -5.131 1.00 50.23 H new ATOM 0 HA GLU A 64 -9.665 -9.091 -2.514 1.00 21.02 H new ATOM 0 HB2 GLU A 64 -8.776 -11.113 -4.604 1.00 41.33 H new ATOM 0 HB3 GLU A 64 -9.360 -11.619 -3.031 1.00 41.33 H new ATOM 0 HG2 GLU A 64 -11.151 -11.726 -4.709 1.00 70.42 H new ATOM 0 HG3 GLU A 64 -11.543 -10.572 -3.449 1.00 70.42 H new ATOM 1050 N ARG A 65 -6.467 -9.875 -2.968 1.00 64.14 N ATOM 1051 CA ARG A 65 -5.179 -10.141 -2.280 1.00 3.20 C ATOM 1052 C ARG A 65 -4.886 -8.999 -1.302 1.00 64.42 C ATOM 1053 O ARG A 65 -4.451 -9.231 -0.186 1.00 72.00 O ATOM 1054 CB ARG A 65 -3.991 -10.335 -3.284 1.00 15.43 C ATOM 1055 CG ARG A 65 -4.006 -11.662 -4.108 1.00 61.23 C ATOM 1056 CD ARG A 65 -5.203 -11.764 -5.070 1.00 11.43 C ATOM 1057 NE ARG A 65 -5.241 -13.028 -5.825 1.00 61.51 N ATOM 1058 CZ ARG A 65 -6.324 -13.819 -5.942 1.00 72.52 C ATOM 1059 NH1 ARG A 65 -7.476 -13.493 -5.363 1.00 41.40 N ATOM 1060 NH2 ARG A 65 -6.255 -14.918 -6.665 1.00 70.31 N ATOM 0 H ARG A 65 -6.380 -9.752 -3.977 1.00 64.14 H new ATOM 0 HA ARG A 65 -5.274 -11.080 -1.734 1.00 3.20 H new ATOM 0 HB2 ARG A 65 -3.989 -9.497 -3.981 1.00 15.43 H new ATOM 0 HB3 ARG A 65 -3.056 -10.287 -2.725 1.00 15.43 H new ATOM 0 HG2 ARG A 65 -3.081 -11.738 -4.680 1.00 61.23 H new ATOM 0 HG3 ARG A 65 -4.027 -12.508 -3.421 1.00 61.23 H new ATOM 0 HD2 ARG A 65 -6.127 -11.662 -4.501 1.00 11.43 H new ATOM 0 HD3 ARG A 65 -5.167 -10.931 -5.772 1.00 11.43 H new ATOM 0 HE ARG A 65 -4.385 -13.326 -6.293 1.00 61.51 H new ATOM 0 HH11 ARG A 65 -7.548 -12.632 -4.820 1.00 41.40 H new ATOM 0 HH12 ARG A 65 -8.287 -14.104 -5.462 1.00 41.40 H new ATOM 0 HH21 ARG A 65 -5.384 -15.167 -7.133 1.00 70.31 H new ATOM 0 HH22 ARG A 65 -7.073 -15.520 -6.757 1.00 70.31 H new ATOM 1074 N ALA A 66 -5.217 -7.770 -1.735 1.00 62.23 N ATOM 1075 CA ALA A 66 -5.102 -6.552 -0.916 1.00 51.11 C ATOM 1076 C ALA A 66 -5.979 -6.621 0.355 1.00 51.21 C ATOM 1077 O ALA A 66 -5.613 -6.048 1.368 1.00 11.42 O ATOM 1078 CB ALA A 66 -5.479 -5.330 -1.759 1.00 33.14 C ATOM 0 H ALA A 66 -5.576 -7.593 -2.673 1.00 62.23 H new ATOM 0 HA ALA A 66 -4.067 -6.466 -0.586 1.00 51.11 H new ATOM 0 HB1 ALA A 66 -5.394 -4.429 -1.152 1.00 33.14 H new ATOM 0 HB2 ALA A 66 -4.807 -5.257 -2.614 1.00 33.14 H new ATOM 0 HB3 ALA A 66 -6.505 -5.434 -2.112 1.00 33.14 H new ATOM 1084 N LYS A 67 -7.134 -7.322 0.277 1.00 71.21 N ATOM 1085 CA LYS A 67 -8.047 -7.517 1.434 1.00 34.21 C ATOM 1086 C LYS A 67 -7.413 -8.471 2.471 1.00 15.55 C ATOM 1087 O LYS A 67 -7.398 -8.172 3.669 1.00 53.01 O ATOM 1088 CB LYS A 67 -9.414 -8.092 0.951 1.00 35.42 C ATOM 1089 CG LYS A 67 -10.154 -7.204 -0.070 1.00 61.14 C ATOM 1090 CD LYS A 67 -11.380 -7.904 -0.719 1.00 31.24 C ATOM 1091 CE LYS A 67 -12.001 -7.065 -1.847 1.00 62.44 C ATOM 1092 NZ LYS A 67 -13.100 -7.774 -2.561 1.00 43.42 N ATOM 0 H LYS A 67 -7.460 -7.766 -0.581 1.00 71.21 H new ATOM 0 HA LYS A 67 -8.215 -6.549 1.906 1.00 34.21 H new ATOM 0 HB2 LYS A 67 -9.245 -9.073 0.506 1.00 35.42 H new ATOM 0 HB3 LYS A 67 -10.058 -8.242 1.818 1.00 35.42 H new ATOM 0 HG2 LYS A 67 -10.486 -6.292 0.426 1.00 61.14 H new ATOM 0 HG3 LYS A 67 -9.458 -6.906 -0.854 1.00 61.14 H new ATOM 0 HD2 LYS A 67 -11.075 -8.872 -1.115 1.00 31.24 H new ATOM 0 HD3 LYS A 67 -12.133 -8.095 0.045 1.00 31.24 H new ATOM 0 HE2 LYS A 67 -12.387 -6.134 -1.430 1.00 62.44 H new ATOM 0 HE3 LYS A 67 -11.224 -6.796 -2.563 1.00 62.44 H new ATOM 0 HZ1 LYS A 67 -13.890 -7.117 -2.721 1.00 43.42 H new ATOM 0 HZ2 LYS A 67 -12.750 -8.125 -3.475 1.00 43.42 H new ATOM 0 HZ3 LYS A 67 -13.428 -8.576 -1.985 1.00 43.42 H new ATOM 1106 N ASP A 68 -6.889 -9.612 1.971 1.00 52.35 N ATOM 1107 CA ASP A 68 -6.303 -10.694 2.809 1.00 12.24 C ATOM 1108 C ASP A 68 -4.981 -10.272 3.475 1.00 70.12 C ATOM 1109 O ASP A 68 -4.751 -10.566 4.657 1.00 41.53 O ATOM 1110 CB ASP A 68 -6.061 -11.974 1.960 1.00 50.33 C ATOM 1111 CG ASP A 68 -7.363 -12.649 1.490 1.00 43.02 C ATOM 1112 OD1 ASP A 68 -7.964 -13.411 2.281 1.00 72.21 O ATOM 1113 OD2 ASP A 68 -7.787 -12.420 0.345 1.00 60.10 O ATOM 0 H ASP A 68 -6.858 -9.814 0.972 1.00 52.35 H new ATOM 0 HA ASP A 68 -7.027 -10.901 3.597 1.00 12.24 H new ATOM 0 HB2 ASP A 68 -5.459 -11.715 1.089 1.00 50.33 H new ATOM 0 HB3 ASP A 68 -5.482 -12.687 2.547 1.00 50.33 H new ATOM 1118 N ILE A 69 -4.119 -9.606 2.692 1.00 42.44 N ATOM 1119 CA ILE A 69 -2.801 -9.115 3.142 1.00 10.02 C ATOM 1120 C ILE A 69 -2.985 -7.995 4.193 1.00 53.22 C ATOM 1121 O ILE A 69 -2.245 -7.927 5.182 1.00 4.43 O ATOM 1122 CB ILE A 69 -1.958 -8.609 1.897 1.00 24.32 C ATOM 1123 CG1 ILE A 69 -1.625 -9.796 0.925 1.00 43.31 C ATOM 1124 CG2 ILE A 69 -0.670 -7.888 2.333 1.00 61.11 C ATOM 1125 CD1 ILE A 69 -0.960 -9.386 -0.390 1.00 61.33 C ATOM 0 H ILE A 69 -4.317 -9.389 1.715 1.00 42.44 H new ATOM 0 HA ILE A 69 -2.250 -9.930 3.612 1.00 10.02 H new ATOM 0 HB ILE A 69 -2.575 -7.886 1.362 1.00 24.32 H new ATOM 0 HG12 ILE A 69 -0.971 -10.497 1.443 1.00 43.31 H new ATOM 0 HG13 ILE A 69 -2.548 -10.330 0.697 1.00 43.31 H new ATOM 0 HG21 ILE A 69 -0.122 -7.557 1.451 1.00 61.11 H new ATOM 0 HG22 ILE A 69 -0.926 -7.024 2.946 1.00 61.11 H new ATOM 0 HG23 ILE A 69 -0.048 -8.571 2.911 1.00 61.11 H new ATOM 0 HD11 ILE A 69 -0.769 -10.273 -0.993 1.00 61.33 H new ATOM 0 HD12 ILE A 69 -1.619 -8.711 -0.936 1.00 61.33 H new ATOM 0 HD13 ILE A 69 -0.017 -8.881 -0.179 1.00 61.33 H new ATOM 1137 N ALA A 70 -4.008 -7.149 3.970 1.00 44.04 N ATOM 1138 CA ALA A 70 -4.391 -6.072 4.898 1.00 21.24 C ATOM 1139 C ALA A 70 -4.972 -6.627 6.208 1.00 44.25 C ATOM 1140 O ALA A 70 -4.748 -6.069 7.278 1.00 33.24 O ATOM 1141 CB ALA A 70 -5.413 -5.157 4.228 1.00 42.11 C ATOM 0 H ALA A 70 -4.594 -7.195 3.136 1.00 44.04 H new ATOM 0 HA ALA A 70 -3.491 -5.508 5.146 1.00 21.24 H new ATOM 0 HB1 ALA A 70 -5.695 -4.361 4.917 1.00 42.11 H new ATOM 0 HB2 ALA A 70 -4.977 -4.722 3.329 1.00 42.11 H new ATOM 0 HB3 ALA A 70 -6.298 -5.735 3.959 1.00 42.11 H new ATOM 1147 N GLU A 71 -5.736 -7.730 6.095 1.00 72.15 N ATOM 1148 CA GLU A 71 -6.365 -8.404 7.251 1.00 61.21 C ATOM 1149 C GLU A 71 -5.271 -9.031 8.132 1.00 73.10 C ATOM 1150 O GLU A 71 -5.285 -8.869 9.355 1.00 65.44 O ATOM 1151 CB GLU A 71 -7.394 -9.459 6.733 1.00 10.15 C ATOM 1152 CG GLU A 71 -8.372 -10.057 7.784 1.00 25.24 C ATOM 1153 CD GLU A 71 -7.743 -11.078 8.751 1.00 71.21 C ATOM 1154 OE1 GLU A 71 -7.410 -12.203 8.309 1.00 24.01 O ATOM 1155 OE2 GLU A 71 -7.586 -10.762 9.951 1.00 33.43 O ATOM 0 H GLU A 71 -5.936 -8.180 5.202 1.00 72.15 H new ATOM 0 HA GLU A 71 -6.910 -7.689 7.867 1.00 61.21 H new ATOM 0 HB2 GLU A 71 -7.985 -8.997 5.942 1.00 10.15 H new ATOM 0 HB3 GLU A 71 -6.840 -10.280 6.279 1.00 10.15 H new ATOM 0 HG2 GLU A 71 -8.798 -9.241 8.368 1.00 25.24 H new ATOM 0 HG3 GLU A 71 -9.197 -10.537 7.258 1.00 25.24 H new ATOM 1162 N TYR A 72 -4.310 -9.707 7.467 1.00 42.31 N ATOM 1163 CA TYR A 72 -3.145 -10.334 8.112 1.00 62.23 C ATOM 1164 C TYR A 72 -2.299 -9.283 8.846 1.00 33.11 C ATOM 1165 O TYR A 72 -1.889 -9.496 9.991 1.00 2.14 O ATOM 1166 CB TYR A 72 -2.289 -11.072 7.040 1.00 65.54 C ATOM 1167 CG TYR A 72 -0.962 -11.661 7.563 1.00 33.34 C ATOM 1168 CD1 TYR A 72 -0.939 -12.836 8.327 1.00 53.33 C ATOM 1169 CD2 TYR A 72 0.268 -11.032 7.308 1.00 42.14 C ATOM 1170 CE1 TYR A 72 0.253 -13.353 8.809 1.00 14.15 C ATOM 1171 CE2 TYR A 72 1.456 -11.552 7.788 1.00 12.43 C ATOM 1172 CZ TYR A 72 1.444 -12.708 8.538 1.00 51.43 C ATOM 1173 OH TYR A 72 2.628 -13.222 9.030 1.00 3.12 O ATOM 0 H TYR A 72 -4.325 -9.832 6.455 1.00 42.31 H new ATOM 0 HA TYR A 72 -3.496 -11.057 8.849 1.00 62.23 H new ATOM 0 HB2 TYR A 72 -2.885 -11.879 6.613 1.00 65.54 H new ATOM 0 HB3 TYR A 72 -2.067 -10.376 6.231 1.00 65.54 H new ATOM 0 HD1 TYR A 72 -1.866 -13.347 8.544 1.00 53.33 H new ATOM 0 HD2 TYR A 72 0.286 -10.123 6.725 1.00 42.14 H new ATOM 0 HE1 TYR A 72 0.251 -14.260 9.396 1.00 14.15 H new ATOM 0 HE2 TYR A 72 2.390 -11.054 7.576 1.00 12.43 H new ATOM 0 HH TYR A 72 2.868 -14.029 8.528 1.00 3.12 H new ATOM 1183 N ALA A 73 -2.061 -8.155 8.159 1.00 31.40 N ATOM 1184 CA ALA A 73 -1.290 -7.026 8.691 1.00 24.02 C ATOM 1185 C ALA A 73 -1.943 -6.474 9.968 1.00 44.51 C ATOM 1186 O ALA A 73 -1.296 -6.358 11.010 1.00 70.22 O ATOM 1187 CB ALA A 73 -1.184 -5.933 7.626 1.00 21.14 C ATOM 0 H ALA A 73 -2.402 -8.002 7.210 1.00 31.40 H new ATOM 0 HA ALA A 73 -0.289 -7.371 8.950 1.00 24.02 H new ATOM 0 HB1 ALA A 73 -0.611 -5.094 8.021 1.00 21.14 H new ATOM 0 HB2 ALA A 73 -0.682 -6.332 6.744 1.00 21.14 H new ATOM 0 HB3 ALA A 73 -2.183 -5.593 7.353 1.00 21.14 H new ATOM 1193 N GLN A 74 -3.254 -6.197 9.871 1.00 53.13 N ATOM 1194 CA GLN A 74 -4.062 -5.661 10.980 1.00 35.34 C ATOM 1195 C GLN A 74 -4.096 -6.653 12.163 1.00 33.15 C ATOM 1196 O GLN A 74 -4.077 -6.247 13.328 1.00 14.13 O ATOM 1197 CB GLN A 74 -5.501 -5.356 10.482 1.00 24.03 C ATOM 1198 CG GLN A 74 -6.389 -4.643 11.511 1.00 50.23 C ATOM 1199 CD GLN A 74 -7.812 -4.408 11.017 1.00 52.14 C ATOM 1200 OE1 GLN A 74 -8.686 -5.255 11.191 1.00 34.34 O ATOM 1201 NE2 GLN A 74 -8.061 -3.257 10.403 1.00 1.41 N ATOM 0 H GLN A 74 -3.788 -6.340 9.014 1.00 53.13 H new ATOM 0 HA GLN A 74 -3.605 -4.736 11.331 1.00 35.34 H new ATOM 0 HB2 GLN A 74 -5.439 -4.740 9.585 1.00 24.03 H new ATOM 0 HB3 GLN A 74 -5.979 -6.292 10.194 1.00 24.03 H new ATOM 0 HG2 GLN A 74 -6.422 -5.236 12.425 1.00 50.23 H new ATOM 0 HG3 GLN A 74 -5.938 -3.685 11.768 1.00 50.23 H new ATOM 0 HE21 GLN A 74 -7.313 -2.575 10.275 1.00 1.41 H new ATOM 0 HE22 GLN A 74 -9.000 -3.055 10.060 1.00 1.41 H new ATOM 1210 N LYS A 75 -4.104 -7.958 11.824 1.00 53.31 N ATOM 1211 CA LYS A 75 -4.108 -9.064 12.805 1.00 44.24 C ATOM 1212 C LYS A 75 -2.797 -9.074 13.623 1.00 41.41 C ATOM 1213 O LYS A 75 -2.798 -9.416 14.812 1.00 35.00 O ATOM 1214 CB LYS A 75 -4.306 -10.421 12.069 1.00 30.44 C ATOM 1215 CG LYS A 75 -4.492 -11.641 13.001 1.00 73.34 C ATOM 1216 CD LYS A 75 -4.555 -12.985 12.237 1.00 10.41 C ATOM 1217 CE LYS A 75 -5.786 -13.098 11.327 1.00 73.04 C ATOM 1218 NZ LYS A 75 -5.821 -14.373 10.563 1.00 51.10 N ATOM 0 H LYS A 75 -4.108 -8.277 10.855 1.00 53.31 H new ATOM 0 HA LYS A 75 -4.935 -8.915 13.499 1.00 44.24 H new ATOM 0 HB2 LYS A 75 -5.177 -10.342 11.418 1.00 30.44 H new ATOM 0 HB3 LYS A 75 -3.443 -10.600 11.427 1.00 30.44 H new ATOM 0 HG2 LYS A 75 -3.669 -11.674 13.715 1.00 73.34 H new ATOM 0 HG3 LYS A 75 -5.409 -11.514 13.577 1.00 73.34 H new ATOM 0 HD2 LYS A 75 -3.653 -13.098 11.635 1.00 10.41 H new ATOM 0 HD3 LYS A 75 -4.564 -13.805 12.955 1.00 10.41 H new ATOM 0 HE2 LYS A 75 -6.689 -13.017 11.933 1.00 73.04 H new ATOM 0 HE3 LYS A 75 -5.795 -12.261 10.629 1.00 73.04 H new ATOM 0 HZ1 LYS A 75 -6.672 -14.396 9.966 1.00 51.10 H new ATOM 0 HZ2 LYS A 75 -4.975 -14.441 9.963 1.00 51.10 H new ATOM 0 HZ3 LYS A 75 -5.841 -15.174 11.226 1.00 51.10 H new ATOM 1232 N GLU A 76 -1.683 -8.670 12.974 1.00 45.50 N ATOM 1233 CA GLU A 76 -0.355 -8.582 13.621 1.00 21.01 C ATOM 1234 C GLU A 76 -0.174 -7.257 14.394 1.00 4.31 C ATOM 1235 O GLU A 76 0.887 -7.029 14.992 1.00 44.11 O ATOM 1236 CB GLU A 76 0.757 -8.752 12.550 1.00 61.31 C ATOM 1237 CG GLU A 76 0.735 -10.105 11.812 1.00 1.12 C ATOM 1238 CD GLU A 76 0.797 -11.311 12.768 1.00 50.22 C ATOM 1239 OE1 GLU A 76 1.906 -11.666 13.222 1.00 74.31 O ATOM 1240 OE2 GLU A 76 -0.263 -11.895 13.089 1.00 42.14 O ATOM 0 H GLU A 76 -1.678 -8.397 11.991 1.00 45.50 H new ATOM 0 HA GLU A 76 -0.280 -9.387 14.352 1.00 21.01 H new ATOM 0 HB2 GLU A 76 0.662 -7.951 11.817 1.00 61.31 H new ATOM 0 HB3 GLU A 76 1.728 -8.631 13.031 1.00 61.31 H new ATOM 0 HG2 GLU A 76 -0.172 -10.171 11.211 1.00 1.12 H new ATOM 0 HG3 GLU A 76 1.578 -10.151 11.123 1.00 1.12 H new ATOM 1247 N GLY A 77 -1.212 -6.403 14.382 1.00 21.33 N ATOM 1248 CA GLY A 77 -1.189 -5.116 15.081 1.00 40.32 C ATOM 1249 C GLY A 77 -0.441 -4.049 14.300 1.00 11.21 C ATOM 1250 O GLY A 77 0.137 -3.124 14.883 1.00 3.33 O ATOM 0 H GLY A 77 -2.085 -6.589 13.888 1.00 21.33 H new ATOM 0 HA2 GLY A 77 -2.212 -4.783 15.259 1.00 40.32 H new ATOM 0 HA3 GLY A 77 -0.721 -5.244 16.057 1.00 40.32 H new ATOM 1254 N LEU A 78 -0.444 -4.199 12.964 1.00 61.23 N ATOM 1255 CA LEU A 78 0.246 -3.285 12.045 1.00 75.25 C ATOM 1256 C LEU A 78 -0.766 -2.294 11.468 1.00 73.33 C ATOM 1257 O LEU A 78 -1.899 -2.688 11.143 1.00 70.21 O ATOM 1258 CB LEU A 78 0.948 -4.089 10.906 1.00 62.22 C ATOM 1259 CG LEU A 78 1.793 -5.314 11.382 1.00 55.42 C ATOM 1260 CD1 LEU A 78 2.475 -6.045 10.208 1.00 11.15 C ATOM 1261 CD2 LEU A 78 2.807 -4.904 12.462 1.00 54.52 C ATOM 0 H LEU A 78 -0.928 -4.962 12.492 1.00 61.23 H new ATOM 0 HA LEU A 78 1.014 -2.733 12.587 1.00 75.25 H new ATOM 0 HB2 LEU A 78 0.187 -4.441 10.209 1.00 62.22 H new ATOM 0 HB3 LEU A 78 1.599 -3.412 10.352 1.00 62.22 H new ATOM 0 HG LEU A 78 1.100 -6.026 11.831 1.00 55.42 H new ATOM 0 HD11 LEU A 78 3.050 -6.889 10.590 1.00 11.15 H new ATOM 0 HD12 LEU A 78 1.716 -6.407 9.515 1.00 11.15 H new ATOM 0 HD13 LEU A 78 3.142 -5.356 9.689 1.00 11.15 H new ATOM 0 HD21 LEU A 78 3.380 -5.777 12.773 1.00 54.52 H new ATOM 0 HD22 LEU A 78 3.484 -4.151 12.058 1.00 54.52 H new ATOM 0 HD23 LEU A 78 2.277 -4.493 13.321 1.00 54.52 H new ATOM 1273 N ARG A 79 -0.366 -1.013 11.370 1.00 42.42 N ATOM 1274 CA ARG A 79 -1.211 0.038 10.785 1.00 21.44 C ATOM 1275 C ARG A 79 -1.371 -0.228 9.286 1.00 61.42 C ATOM 1276 O ARG A 79 -0.388 -0.199 8.547 1.00 3.35 O ATOM 1277 CB ARG A 79 -0.591 1.442 10.993 1.00 2.22 C ATOM 1278 CG ARG A 79 -0.330 1.829 12.462 1.00 74.23 C ATOM 1279 CD ARG A 79 0.144 3.292 12.604 1.00 61.42 C ATOM 1280 NE ARG A 79 0.381 3.672 14.004 1.00 13.30 N ATOM 1281 CZ ARG A 79 -0.570 3.949 14.912 1.00 23.33 C ATOM 1282 NH1 ARG A 79 -1.869 3.883 14.604 1.00 60.13 N ATOM 1283 NH2 ARG A 79 -0.213 4.304 16.137 1.00 1.41 N ATOM 0 H ARG A 79 0.544 -0.682 11.691 1.00 42.42 H new ATOM 0 HA ARG A 79 -2.181 0.018 11.283 1.00 21.44 H new ATOM 0 HB2 ARG A 79 0.351 1.491 10.447 1.00 2.22 H new ATOM 0 HB3 ARG A 79 -1.254 2.185 10.550 1.00 2.22 H new ATOM 0 HG2 ARG A 79 -1.242 1.687 13.041 1.00 74.23 H new ATOM 0 HG3 ARG A 79 0.422 1.162 12.883 1.00 74.23 H new ATOM 0 HD2 ARG A 79 1.062 3.431 12.033 1.00 61.42 H new ATOM 0 HD3 ARG A 79 -0.604 3.957 12.172 1.00 61.42 H new ATOM 0 HE ARG A 79 1.351 3.730 14.313 1.00 13.30 H new ATOM 0 HH11 ARG A 79 -2.157 3.618 13.662 1.00 60.13 H new ATOM 0 HH12 ARG A 79 -2.572 4.098 15.311 1.00 60.13 H new ATOM 0 HH21 ARG A 79 0.775 4.365 16.383 1.00 1.41 H new ATOM 0 HH22 ARG A 79 -0.926 4.517 16.835 1.00 1.41 H new ATOM 1297 N VAL A 80 -2.598 -0.512 8.847 1.00 53.35 N ATOM 1298 CA VAL A 80 -2.863 -0.817 7.441 1.00 43.14 C ATOM 1299 C VAL A 80 -3.299 0.451 6.722 1.00 64.32 C ATOM 1300 O VAL A 80 -4.333 1.039 7.045 1.00 63.21 O ATOM 1301 CB VAL A 80 -3.959 -1.914 7.260 1.00 44.35 C ATOM 1302 CG1 VAL A 80 -4.145 -2.254 5.761 1.00 31.32 C ATOM 1303 CG2 VAL A 80 -3.622 -3.165 8.091 1.00 51.32 C ATOM 0 H VAL A 80 -3.424 -0.537 9.445 1.00 53.35 H new ATOM 0 HA VAL A 80 -1.938 -1.206 7.014 1.00 43.14 H new ATOM 0 HB VAL A 80 -4.907 -1.524 7.630 1.00 44.35 H new ATOM 0 HG11 VAL A 80 -4.913 -3.020 5.654 1.00 31.32 H new ATOM 0 HG12 VAL A 80 -4.449 -1.358 5.220 1.00 31.32 H new ATOM 0 HG13 VAL A 80 -3.204 -2.623 5.352 1.00 31.32 H new ATOM 0 HG21 VAL A 80 -4.399 -3.916 7.950 1.00 51.32 H new ATOM 0 HG22 VAL A 80 -2.663 -3.570 7.767 1.00 51.32 H new ATOM 0 HG23 VAL A 80 -3.565 -2.897 9.146 1.00 51.32 H new ATOM 1313 N ILE A 81 -2.475 0.871 5.770 1.00 64.04 N ATOM 1314 CA ILE A 81 -2.769 1.963 4.858 1.00 11.55 C ATOM 1315 C ILE A 81 -2.973 1.335 3.473 1.00 10.11 C ATOM 1316 O ILE A 81 -2.249 0.416 3.116 1.00 20.30 O ATOM 1317 CB ILE A 81 -1.613 3.050 4.826 1.00 43.41 C ATOM 1318 CG1 ILE A 81 -1.588 3.953 6.118 1.00 12.15 C ATOM 1319 CG2 ILE A 81 -1.714 3.929 3.557 1.00 65.33 C ATOM 1320 CD1 ILE A 81 -1.167 3.268 7.413 1.00 62.23 C ATOM 0 H ILE A 81 -1.561 0.449 5.609 1.00 64.04 H new ATOM 0 HA ILE A 81 -3.661 2.495 5.188 1.00 11.55 H new ATOM 0 HB ILE A 81 -0.673 2.499 4.803 1.00 43.41 H new ATOM 0 HG12 ILE A 81 -0.912 4.789 5.938 1.00 12.15 H new ATOM 0 HG13 ILE A 81 -2.584 4.373 6.261 1.00 12.15 H new ATOM 0 HG21 ILE A 81 -0.910 4.666 3.560 1.00 65.33 H new ATOM 0 HG22 ILE A 81 -1.627 3.300 2.671 1.00 65.33 H new ATOM 0 HG23 ILE A 81 -2.676 4.442 3.545 1.00 65.33 H new ATOM 0 HD11 ILE A 81 -1.189 3.989 8.230 1.00 62.23 H new ATOM 0 HD12 ILE A 81 -1.854 2.451 7.632 1.00 62.23 H new ATOM 0 HD13 ILE A 81 -0.157 2.873 7.304 1.00 62.23 H new ATOM 1332 N VAL A 82 -3.983 1.791 2.721 1.00 42.22 N ATOM 1333 CA VAL A 82 -4.230 1.332 1.340 1.00 15.24 C ATOM 1334 C VAL A 82 -4.310 2.568 0.428 1.00 64.23 C ATOM 1335 O VAL A 82 -5.237 3.354 0.550 1.00 53.14 O ATOM 1336 CB VAL A 82 -5.566 0.483 1.258 1.00 61.35 C ATOM 1337 CG1 VAL A 82 -5.879 0.047 -0.195 1.00 72.30 C ATOM 1338 CG2 VAL A 82 -5.522 -0.738 2.219 1.00 71.30 C ATOM 0 H VAL A 82 -4.653 2.487 3.048 1.00 42.22 H new ATOM 0 HA VAL A 82 -3.416 0.684 1.015 1.00 15.24 H new ATOM 0 HB VAL A 82 -6.380 1.130 1.584 1.00 61.35 H new ATOM 0 HG11 VAL A 82 -6.802 -0.533 -0.210 1.00 72.30 H new ATOM 0 HG12 VAL A 82 -5.995 0.930 -0.823 1.00 72.30 H new ATOM 0 HG13 VAL A 82 -5.061 -0.564 -0.576 1.00 72.30 H new ATOM 0 HG21 VAL A 82 -6.453 -1.299 2.138 1.00 71.30 H new ATOM 0 HG22 VAL A 82 -4.686 -1.383 1.950 1.00 71.30 H new ATOM 0 HG23 VAL A 82 -5.396 -0.390 3.244 1.00 71.30 H new ATOM 1348 N ILE A 83 -3.323 2.753 -0.467 1.00 73.44 N ATOM 1349 CA ILE A 83 -3.288 3.904 -1.399 1.00 14.53 C ATOM 1350 C ILE A 83 -3.702 3.432 -2.797 1.00 50.31 C ATOM 1351 O ILE A 83 -2.941 2.753 -3.484 1.00 23.41 O ATOM 1352 CB ILE A 83 -1.855 4.563 -1.462 1.00 55.53 C ATOM 1353 CG1 ILE A 83 -1.381 4.976 -0.037 1.00 62.32 C ATOM 1354 CG2 ILE A 83 -1.828 5.777 -2.435 1.00 75.05 C ATOM 1355 CD1 ILE A 83 0.035 5.511 0.027 1.00 64.01 C ATOM 0 H ILE A 83 -2.532 2.117 -0.568 1.00 73.44 H new ATOM 0 HA ILE A 83 -3.983 4.660 -1.033 1.00 14.53 H new ATOM 0 HB ILE A 83 -1.161 3.819 -1.852 1.00 55.53 H new ATOM 0 HG12 ILE A 83 -2.060 5.735 0.352 1.00 62.32 H new ATOM 0 HG13 ILE A 83 -1.459 4.111 0.622 1.00 62.32 H new ATOM 0 HG21 ILE A 83 -0.826 6.206 -2.454 1.00 75.05 H new ATOM 0 HG22 ILE A 83 -2.100 5.446 -3.437 1.00 75.05 H new ATOM 0 HG23 ILE A 83 -2.539 6.530 -2.097 1.00 75.05 H new ATOM 0 HD11 ILE A 83 0.279 5.773 1.057 1.00 64.01 H new ATOM 0 HD12 ILE A 83 0.728 4.748 -0.327 1.00 64.01 H new ATOM 0 HD13 ILE A 83 0.118 6.397 -0.602 1.00 64.01 H new ATOM 1367 N ILE A 84 -4.922 3.776 -3.197 1.00 13.03 N ATOM 1368 CA ILE A 84 -5.474 3.389 -4.497 1.00 53.02 C ATOM 1369 C ILE A 84 -5.187 4.502 -5.511 1.00 31.33 C ATOM 1370 O ILE A 84 -5.706 5.619 -5.392 1.00 10.00 O ATOM 1371 CB ILE A 84 -7.014 3.121 -4.400 1.00 54.10 C ATOM 1372 CG1 ILE A 84 -7.302 2.134 -3.229 1.00 21.05 C ATOM 1373 CG2 ILE A 84 -7.574 2.584 -5.745 1.00 24.33 C ATOM 1374 CD1 ILE A 84 -8.759 1.962 -2.904 1.00 51.20 C ATOM 0 H ILE A 84 -5.560 4.333 -2.629 1.00 13.03 H new ATOM 0 HA ILE A 84 -5.000 2.463 -4.823 1.00 53.02 H new ATOM 0 HB ILE A 84 -7.524 4.062 -4.194 1.00 54.10 H new ATOM 0 HG12 ILE A 84 -6.881 1.160 -3.479 1.00 21.05 H new ATOM 0 HG13 ILE A 84 -6.783 2.486 -2.338 1.00 21.05 H new ATOM 0 HG21 ILE A 84 -8.645 2.407 -5.648 1.00 24.33 H new ATOM 0 HG22 ILE A 84 -7.397 3.318 -6.532 1.00 24.33 H new ATOM 0 HG23 ILE A 84 -7.073 1.650 -6.001 1.00 24.33 H new ATOM 0 HD11 ILE A 84 -8.867 1.259 -2.078 1.00 51.20 H new ATOM 0 HD12 ILE A 84 -9.184 2.924 -2.619 1.00 51.20 H new ATOM 0 HD13 ILE A 84 -9.284 1.578 -3.779 1.00 51.20 H new ATOM 1386 N VAL A 85 -4.302 4.196 -6.462 1.00 3.30 N ATOM 1387 CA VAL A 85 -3.929 5.092 -7.551 1.00 33.55 C ATOM 1388 C VAL A 85 -4.617 4.612 -8.832 1.00 73.14 C ATOM 1389 O VAL A 85 -4.205 3.606 -9.419 1.00 43.51 O ATOM 1390 CB VAL A 85 -2.370 5.117 -7.765 1.00 63.54 C ATOM 1391 CG1 VAL A 85 -1.956 6.294 -8.683 1.00 53.22 C ATOM 1392 CG2 VAL A 85 -1.627 5.132 -6.408 1.00 12.41 C ATOM 0 H VAL A 85 -3.817 3.300 -6.494 1.00 3.30 H new ATOM 0 HA VAL A 85 -4.246 6.104 -7.300 1.00 33.55 H new ATOM 0 HB VAL A 85 -2.074 4.201 -8.276 1.00 63.54 H new ATOM 0 HG11 VAL A 85 -0.874 6.289 -8.815 1.00 53.22 H new ATOM 0 HG12 VAL A 85 -2.441 6.186 -9.653 1.00 53.22 H new ATOM 0 HG13 VAL A 85 -2.262 7.236 -8.227 1.00 53.22 H new ATOM 0 HG21 VAL A 85 -0.551 5.149 -6.582 1.00 12.41 H new ATOM 0 HG22 VAL A 85 -1.917 6.018 -5.844 1.00 12.41 H new ATOM 0 HG23 VAL A 85 -1.888 4.239 -5.840 1.00 12.41 H new ATOM 1402 N SER A 86 -5.681 5.308 -9.229 1.00 23.24 N ATOM 1403 CA SER A 86 -6.444 4.977 -10.434 1.00 52.23 C ATOM 1404 C SER A 86 -7.150 6.233 -10.933 1.00 32.34 C ATOM 1405 O SER A 86 -7.671 7.019 -10.144 1.00 34.31 O ATOM 1406 CB SER A 86 -7.464 3.846 -10.144 1.00 73.23 C ATOM 1407 OG SER A 86 -8.193 3.485 -11.310 1.00 4.33 O ATOM 0 H SER A 86 -6.040 6.119 -8.724 1.00 23.24 H new ATOM 0 HA SER A 86 -5.766 4.615 -11.206 1.00 52.23 H new ATOM 0 HB2 SER A 86 -6.939 2.972 -9.758 1.00 73.23 H new ATOM 0 HB3 SER A 86 -8.157 4.171 -9.367 1.00 73.23 H new ATOM 0 HG SER A 86 -8.303 2.512 -11.338 1.00 4.33 H new ATOM 1413 N GLN A 87 -7.179 6.408 -12.253 1.00 73.54 N ATOM 1414 CA GLN A 87 -7.827 7.557 -12.910 1.00 54.32 C ATOM 1415 C GLN A 87 -9.275 7.170 -13.288 1.00 32.25 C ATOM 1416 O GLN A 87 -9.807 7.543 -14.335 1.00 33.21 O ATOM 1417 CB GLN A 87 -6.951 7.980 -14.123 1.00 12.41 C ATOM 1418 CG GLN A 87 -7.305 9.353 -14.740 1.00 13.43 C ATOM 1419 CD GLN A 87 -6.120 10.012 -15.449 1.00 43.11 C ATOM 1420 OE1 GLN A 87 -5.895 9.817 -16.642 1.00 64.54 O ATOM 1421 NE2 GLN A 87 -5.338 10.781 -14.699 1.00 4.33 N ATOM 0 H GLN A 87 -6.751 5.754 -12.908 1.00 73.54 H new ATOM 0 HA GLN A 87 -7.903 8.421 -12.250 1.00 54.32 H new ATOM 0 HB2 GLN A 87 -5.907 7.998 -13.809 1.00 12.41 H new ATOM 0 HB3 GLN A 87 -7.038 7.218 -14.897 1.00 12.41 H new ATOM 0 HG2 GLN A 87 -8.122 9.226 -15.450 1.00 13.43 H new ATOM 0 HG3 GLN A 87 -7.666 10.016 -13.954 1.00 13.43 H new ATOM 0 HE21 GLN A 87 -5.555 10.921 -13.712 1.00 4.33 H new ATOM 0 HE22 GLN A 87 -4.521 11.232 -15.110 1.00 4.33 H new ATOM 1430 N ASP A 88 -9.927 6.474 -12.349 1.00 44.12 N ATOM 1431 CA ASP A 88 -11.230 5.849 -12.544 1.00 3.42 C ATOM 1432 C ASP A 88 -12.006 5.916 -11.221 1.00 63.14 C ATOM 1433 O ASP A 88 -11.557 5.355 -10.215 1.00 24.33 O ATOM 1434 CB ASP A 88 -11.033 4.380 -13.005 1.00 4.35 C ATOM 1435 CG ASP A 88 -12.355 3.658 -13.317 1.00 35.22 C ATOM 1436 OD1 ASP A 88 -12.933 3.912 -14.392 1.00 20.32 O ATOM 1437 OD2 ASP A 88 -12.825 2.851 -12.488 1.00 30.21 O ATOM 0 H ASP A 88 -9.550 6.329 -11.412 1.00 44.12 H new ATOM 0 HA ASP A 88 -11.798 6.372 -13.314 1.00 3.42 H new ATOM 0 HB2 ASP A 88 -10.401 4.367 -13.893 1.00 4.35 H new ATOM 0 HB3 ASP A 88 -10.502 3.831 -12.228 1.00 4.35 H new ATOM 1442 N GLU A 89 -13.155 6.617 -11.250 1.00 44.24 N ATOM 1443 CA GLU A 89 -14.017 6.871 -10.071 1.00 32.41 C ATOM 1444 C GLU A 89 -14.473 5.579 -9.379 1.00 64.12 C ATOM 1445 O GLU A 89 -14.587 5.537 -8.150 1.00 62.02 O ATOM 1446 CB GLU A 89 -15.259 7.709 -10.497 1.00 55.53 C ATOM 1447 CG GLU A 89 -14.939 9.164 -10.891 1.00 35.32 C ATOM 1448 CD GLU A 89 -14.440 10.000 -9.700 1.00 5.11 C ATOM 1449 OE1 GLU A 89 -15.285 10.542 -8.954 1.00 4.03 O ATOM 1450 OE2 GLU A 89 -13.214 10.103 -9.489 1.00 1.43 O ATOM 0 H GLU A 89 -13.520 7.032 -12.107 1.00 44.24 H new ATOM 0 HA GLU A 89 -13.418 7.426 -9.349 1.00 32.41 H new ATOM 0 HB2 GLU A 89 -15.744 7.215 -11.339 1.00 55.53 H new ATOM 0 HB3 GLU A 89 -15.976 7.717 -9.676 1.00 55.53 H new ATOM 0 HG2 GLU A 89 -14.182 9.167 -11.675 1.00 35.32 H new ATOM 0 HG3 GLU A 89 -15.832 9.629 -11.308 1.00 35.32 H new ATOM 1457 N GLU A 90 -14.718 4.532 -10.183 1.00 22.53 N ATOM 1458 CA GLU A 90 -15.211 3.241 -9.688 1.00 12.51 C ATOM 1459 C GLU A 90 -14.115 2.506 -8.898 1.00 42.23 C ATOM 1460 O GLU A 90 -14.345 2.094 -7.764 1.00 42.45 O ATOM 1461 CB GLU A 90 -15.722 2.372 -10.862 1.00 44.34 C ATOM 1462 CG GLU A 90 -16.892 2.993 -11.649 1.00 15.23 C ATOM 1463 CD GLU A 90 -17.441 2.048 -12.727 1.00 65.23 C ATOM 1464 OE1 GLU A 90 -18.099 1.046 -12.363 1.00 23.33 O ATOM 1465 OE2 GLU A 90 -17.208 2.281 -13.933 1.00 61.54 O ATOM 0 H GLU A 90 -14.579 4.559 -11.193 1.00 22.53 H new ATOM 0 HA GLU A 90 -16.045 3.427 -9.012 1.00 12.51 H new ATOM 0 HB2 GLU A 90 -14.896 2.187 -11.548 1.00 44.34 H new ATOM 0 HB3 GLU A 90 -16.035 1.404 -10.472 1.00 44.34 H new ATOM 0 HG2 GLU A 90 -17.693 3.255 -10.957 1.00 15.23 H new ATOM 0 HG3 GLU A 90 -16.560 3.920 -12.117 1.00 15.23 H new ATOM 1472 N ALA A 91 -12.912 2.399 -9.497 1.00 73.54 N ATOM 1473 CA ALA A 91 -11.769 1.683 -8.890 1.00 10.24 C ATOM 1474 C ALA A 91 -11.315 2.355 -7.580 1.00 42.53 C ATOM 1475 O ALA A 91 -10.877 1.673 -6.641 1.00 4.53 O ATOM 1476 CB ALA A 91 -10.601 1.596 -9.886 1.00 52.44 C ATOM 0 H ALA A 91 -12.705 2.804 -10.410 1.00 73.54 H new ATOM 0 HA ALA A 91 -12.098 0.673 -8.647 1.00 10.24 H new ATOM 0 HB1 ALA A 91 -9.768 1.066 -9.424 1.00 52.44 H new ATOM 0 HB2 ALA A 91 -10.923 1.059 -10.778 1.00 52.44 H new ATOM 0 HB3 ALA A 91 -10.283 2.601 -10.163 1.00 52.44 H new ATOM 1482 N LEU A 92 -11.439 3.698 -7.535 1.00 64.13 N ATOM 1483 CA LEU A 92 -11.120 4.490 -6.341 1.00 54.50 C ATOM 1484 C LEU A 92 -12.163 4.252 -5.237 1.00 51.40 C ATOM 1485 O LEU A 92 -11.803 3.836 -4.144 1.00 53.33 O ATOM 1486 CB LEU A 92 -11.032 6.002 -6.690 1.00 71.00 C ATOM 1487 CG LEU A 92 -9.857 6.421 -7.627 1.00 54.50 C ATOM 1488 CD1 LEU A 92 -9.889 7.935 -7.914 1.00 12.53 C ATOM 1489 CD2 LEU A 92 -8.496 5.993 -7.039 1.00 71.54 C ATOM 0 H LEU A 92 -11.762 4.257 -8.325 1.00 64.13 H new ATOM 0 HA LEU A 92 -10.147 4.167 -5.970 1.00 54.50 H new ATOM 0 HB2 LEU A 92 -11.969 6.301 -7.159 1.00 71.00 H new ATOM 0 HB3 LEU A 92 -10.947 6.565 -5.760 1.00 71.00 H new ATOM 0 HG LEU A 92 -9.986 5.900 -8.576 1.00 54.50 H new ATOM 0 HD11 LEU A 92 -9.059 8.199 -8.569 1.00 12.53 H new ATOM 0 HD12 LEU A 92 -10.830 8.194 -8.399 1.00 12.53 H new ATOM 0 HD13 LEU A 92 -9.800 8.485 -6.977 1.00 12.53 H new ATOM 0 HD21 LEU A 92 -7.696 6.298 -7.714 1.00 71.54 H new ATOM 0 HD22 LEU A 92 -8.353 6.468 -6.068 1.00 71.54 H new ATOM 0 HD23 LEU A 92 -8.476 4.910 -6.919 1.00 71.54 H new ATOM 1501 N ARG A 93 -13.454 4.459 -5.564 1.00 43.34 N ATOM 1502 CA ARG A 93 -14.554 4.454 -4.570 1.00 72.30 C ATOM 1503 C ARG A 93 -14.793 3.057 -3.964 1.00 44.31 C ATOM 1504 O ARG A 93 -14.860 2.916 -2.735 1.00 2.55 O ATOM 1505 CB ARG A 93 -15.869 4.968 -5.211 1.00 62.03 C ATOM 1506 CG ARG A 93 -17.088 4.935 -4.258 1.00 3.33 C ATOM 1507 CD ARG A 93 -18.393 5.368 -4.928 1.00 71.03 C ATOM 1508 NE ARG A 93 -19.559 5.141 -4.058 1.00 42.12 N ATOM 1509 CZ ARG A 93 -20.835 5.370 -4.402 1.00 71.14 C ATOM 1510 NH1 ARG A 93 -21.144 5.849 -5.607 1.00 42.22 N ATOM 1511 NH2 ARG A 93 -21.805 5.094 -3.541 1.00 75.41 N ATOM 0 H ARG A 93 -13.766 4.634 -6.519 1.00 43.34 H new ATOM 0 HA ARG A 93 -14.249 5.121 -3.764 1.00 72.30 H new ATOM 0 HB2 ARG A 93 -15.718 5.991 -5.556 1.00 62.03 H new ATOM 0 HB3 ARG A 93 -16.092 4.365 -6.091 1.00 62.03 H new ATOM 0 HG2 ARG A 93 -17.207 3.925 -3.866 1.00 3.33 H new ATOM 0 HG3 ARG A 93 -16.892 5.586 -3.406 1.00 3.33 H new ATOM 0 HD2 ARG A 93 -18.334 6.425 -5.188 1.00 71.03 H new ATOM 0 HD3 ARG A 93 -18.523 4.817 -5.860 1.00 71.03 H new ATOM 0 HE ARG A 93 -19.382 4.781 -3.120 1.00 42.12 H new ATOM 0 HH11 ARG A 93 -20.405 6.047 -6.282 1.00 42.22 H new ATOM 0 HH12 ARG A 93 -22.119 6.018 -5.854 1.00 42.22 H new ATOM 0 HH21 ARG A 93 -21.579 4.710 -2.624 1.00 75.41 H new ATOM 0 HH22 ARG A 93 -22.778 5.266 -3.796 1.00 75.41 H new ATOM 1525 N LYS A 94 -14.938 2.047 -4.849 1.00 62.42 N ATOM 1526 CA LYS A 94 -15.264 0.661 -4.451 1.00 74.25 C ATOM 1527 C LYS A 94 -14.183 0.104 -3.525 1.00 74.31 C ATOM 1528 O LYS A 94 -14.497 -0.480 -2.494 1.00 31.52 O ATOM 1529 CB LYS A 94 -15.432 -0.247 -5.698 1.00 62.23 C ATOM 1530 CG LYS A 94 -16.614 0.146 -6.614 1.00 62.42 C ATOM 1531 CD LYS A 94 -16.631 -0.651 -7.938 1.00 25.11 C ATOM 1532 CE LYS A 94 -17.757 -0.215 -8.883 1.00 0.21 C ATOM 1533 NZ LYS A 94 -17.617 -0.850 -10.225 1.00 35.02 N ATOM 0 H LYS A 94 -14.833 2.169 -5.856 1.00 62.42 H new ATOM 0 HA LYS A 94 -16.211 0.675 -3.911 1.00 74.25 H new ATOM 0 HB2 LYS A 94 -14.511 -0.219 -6.280 1.00 62.23 H new ATOM 0 HB3 LYS A 94 -15.570 -1.277 -5.368 1.00 62.23 H new ATOM 0 HG2 LYS A 94 -17.551 -0.020 -6.083 1.00 62.42 H new ATOM 0 HG3 LYS A 94 -16.558 1.212 -6.836 1.00 62.42 H new ATOM 0 HD2 LYS A 94 -15.672 -0.528 -8.442 1.00 25.11 H new ATOM 0 HD3 LYS A 94 -16.741 -1.712 -7.716 1.00 25.11 H new ATOM 0 HE2 LYS A 94 -18.721 -0.483 -8.451 1.00 0.21 H new ATOM 0 HE3 LYS A 94 -17.746 0.870 -8.989 1.00 0.21 H new ATOM 0 HZ1 LYS A 94 -17.804 -0.143 -10.965 1.00 35.02 H new ATOM 0 HZ2 LYS A 94 -16.651 -1.219 -10.335 1.00 35.02 H new ATOM 0 HZ3 LYS A 94 -18.298 -1.631 -10.312 1.00 35.02 H new ATOM 1547 N GLY A 95 -12.917 0.330 -3.904 1.00 4.21 N ATOM 1548 CA GLY A 95 -11.778 -0.069 -3.084 1.00 43.54 C ATOM 1549 C GLY A 95 -11.689 0.725 -1.780 1.00 44.24 C ATOM 1550 O GLY A 95 -11.372 0.159 -0.726 1.00 62.01 O ATOM 0 H GLY A 95 -12.662 0.789 -4.778 1.00 4.21 H new ATOM 0 HA2 GLY A 95 -11.854 -1.132 -2.854 1.00 43.54 H new ATOM 0 HA3 GLY A 95 -10.859 0.069 -3.653 1.00 43.54 H new ATOM 1554 N TYR A 96 -11.968 2.050 -1.872 1.00 2.03 N ATOM 1555 CA TYR A 96 -11.842 3.001 -0.744 1.00 15.51 C ATOM 1556 C TYR A 96 -12.703 2.553 0.421 1.00 54.21 C ATOM 1557 O TYR A 96 -12.187 2.282 1.498 1.00 61.14 O ATOM 1558 CB TYR A 96 -12.246 4.440 -1.185 1.00 54.43 C ATOM 1559 CG TYR A 96 -12.148 5.550 -0.110 1.00 32.55 C ATOM 1560 CD1 TYR A 96 -10.974 5.759 0.624 1.00 50.54 C ATOM 1561 CD2 TYR A 96 -13.228 6.407 0.157 1.00 45.32 C ATOM 1562 CE1 TYR A 96 -10.883 6.763 1.570 1.00 35.23 C ATOM 1563 CE2 TYR A 96 -13.133 7.415 1.105 1.00 43.11 C ATOM 1564 CZ TYR A 96 -11.958 7.587 1.806 1.00 24.43 C ATOM 1565 OH TYR A 96 -11.860 8.584 2.756 1.00 34.34 O ATOM 0 H TYR A 96 -12.288 2.488 -2.736 1.00 2.03 H new ATOM 0 HA TYR A 96 -10.799 3.017 -0.428 1.00 15.51 H new ATOM 0 HB2 TYR A 96 -11.617 4.727 -2.028 1.00 54.43 H new ATOM 0 HB3 TYR A 96 -13.273 4.409 -1.549 1.00 54.43 H new ATOM 0 HD1 TYR A 96 -10.120 5.121 0.447 1.00 50.54 H new ATOM 0 HD2 TYR A 96 -14.152 6.278 -0.387 1.00 45.32 H new ATOM 0 HE1 TYR A 96 -9.966 6.900 2.124 1.00 35.23 H new ATOM 0 HE2 TYR A 96 -13.976 8.063 1.293 1.00 43.11 H new ATOM 0 HH TYR A 96 -12.705 9.078 2.800 1.00 34.34 H new ATOM 1575 N GLU A 97 -14.005 2.409 0.152 1.00 2.41 N ATOM 1576 CA GLU A 97 -14.992 2.057 1.173 1.00 21.43 C ATOM 1577 C GLU A 97 -14.829 0.592 1.610 1.00 14.30 C ATOM 1578 O GLU A 97 -14.963 0.294 2.788 1.00 63.50 O ATOM 1579 CB GLU A 97 -16.425 2.336 0.655 1.00 33.31 C ATOM 1580 CG GLU A 97 -16.652 3.789 0.161 1.00 3.31 C ATOM 1581 CD GLU A 97 -18.113 4.066 -0.243 1.00 55.42 C ATOM 1582 OE1 GLU A 97 -18.469 3.848 -1.423 1.00 2.45 O ATOM 1583 OE2 GLU A 97 -18.915 4.474 0.629 1.00 4.33 O ATOM 0 H GLU A 97 -14.402 2.533 -0.779 1.00 2.41 H new ATOM 0 HA GLU A 97 -14.823 2.681 2.050 1.00 21.43 H new ATOM 0 HB2 GLU A 97 -16.644 1.648 -0.162 1.00 33.31 H new ATOM 0 HB3 GLU A 97 -17.136 2.120 1.453 1.00 33.31 H new ATOM 0 HG2 GLU A 97 -16.360 4.484 0.948 1.00 3.31 H new ATOM 0 HG3 GLU A 97 -16.002 3.983 -0.692 1.00 3.31 H new ATOM 1590 N ASP A 98 -14.498 -0.308 0.655 1.00 23.31 N ATOM 1591 CA ASP A 98 -14.294 -1.754 0.938 1.00 54.42 C ATOM 1592 C ASP A 98 -13.252 -1.949 2.058 1.00 4.41 C ATOM 1593 O ASP A 98 -13.527 -2.607 3.065 1.00 33.41 O ATOM 1594 CB ASP A 98 -13.841 -2.492 -0.358 1.00 62.31 C ATOM 1595 CG ASP A 98 -13.564 -4.001 -0.185 1.00 65.33 C ATOM 1596 OD1 ASP A 98 -14.491 -4.818 -0.359 1.00 43.20 O ATOM 1597 OD2 ASP A 98 -12.408 -4.383 0.115 1.00 60.22 O ATOM 0 H ASP A 98 -14.365 -0.059 -0.325 1.00 23.31 H new ATOM 0 HA ASP A 98 -15.240 -2.178 1.275 1.00 54.42 H new ATOM 0 HB2 ASP A 98 -14.611 -2.364 -1.119 1.00 62.31 H new ATOM 0 HB3 ASP A 98 -12.937 -2.013 -0.734 1.00 62.31 H new ATOM 1602 N LYS A 99 -12.081 -1.320 1.879 1.00 45.10 N ATOM 1603 CA LYS A 99 -10.956 -1.425 2.821 1.00 73.03 C ATOM 1604 C LYS A 99 -11.198 -0.554 4.089 1.00 11.43 C ATOM 1605 O LYS A 99 -10.885 -0.979 5.205 1.00 31.14 O ATOM 1606 CB LYS A 99 -9.605 -1.034 2.119 1.00 70.23 C ATOM 1607 CG LYS A 99 -8.949 -2.137 1.243 1.00 4.21 C ATOM 1608 CD LYS A 99 -9.737 -2.461 -0.031 1.00 65.23 C ATOM 1609 CE LYS A 99 -9.124 -3.610 -0.837 1.00 13.15 C ATOM 1610 NZ LYS A 99 -10.042 -4.046 -1.910 1.00 11.31 N ATOM 0 H LYS A 99 -11.887 -0.723 1.075 1.00 45.10 H new ATOM 0 HA LYS A 99 -10.884 -2.464 3.143 1.00 73.03 H new ATOM 0 HB2 LYS A 99 -9.783 -0.159 1.494 1.00 70.23 H new ATOM 0 HB3 LYS A 99 -8.892 -0.736 2.888 1.00 70.23 H new ATOM 0 HG2 LYS A 99 -7.944 -1.819 0.967 1.00 4.21 H new ATOM 0 HG3 LYS A 99 -8.845 -3.046 1.836 1.00 4.21 H new ATOM 0 HD2 LYS A 99 -10.761 -2.719 0.238 1.00 65.23 H new ATOM 0 HD3 LYS A 99 -9.786 -1.571 -0.658 1.00 65.23 H new ATOM 0 HE2 LYS A 99 -8.176 -3.291 -1.270 1.00 13.15 H new ATOM 0 HE3 LYS A 99 -8.906 -4.449 -0.176 1.00 13.15 H new ATOM 0 HZ1 LYS A 99 -9.775 -4.999 -2.229 1.00 11.31 H new ATOM 0 HZ2 LYS A 99 -11.017 -4.062 -1.548 1.00 11.31 H new ATOM 0 HZ3 LYS A 99 -9.981 -3.384 -2.710 1.00 11.31 H new ATOM 1624 N LYS A 100 -11.781 0.646 3.905 1.00 43.42 N ATOM 1625 CA LYS A 100 -11.979 1.643 5.003 1.00 62.21 C ATOM 1626 C LYS A 100 -12.979 1.136 6.063 1.00 74.14 C ATOM 1627 O LYS A 100 -12.815 1.383 7.266 1.00 15.44 O ATOM 1628 CB LYS A 100 -12.460 2.996 4.410 1.00 43.02 C ATOM 1629 CG LYS A 100 -12.472 4.182 5.389 1.00 64.01 C ATOM 1630 CD LYS A 100 -12.996 5.481 4.736 1.00 44.44 C ATOM 1631 CE LYS A 100 -12.979 6.675 5.709 1.00 34.12 C ATOM 1632 NZ LYS A 100 -13.825 6.438 6.913 1.00 23.25 N ATOM 0 H LYS A 100 -12.130 0.961 3.000 1.00 43.42 H new ATOM 0 HA LYS A 100 -11.020 1.787 5.501 1.00 62.21 H new ATOM 0 HB2 LYS A 100 -11.819 3.251 3.566 1.00 43.02 H new ATOM 0 HB3 LYS A 100 -13.468 2.862 4.016 1.00 43.02 H new ATOM 0 HG2 LYS A 100 -13.095 3.934 6.248 1.00 64.01 H new ATOM 0 HG3 LYS A 100 -11.463 4.349 5.765 1.00 64.01 H new ATOM 0 HD2 LYS A 100 -12.386 5.718 3.864 1.00 44.44 H new ATOM 0 HD3 LYS A 100 -14.014 5.321 4.380 1.00 44.44 H new ATOM 0 HE2 LYS A 100 -11.953 6.871 6.022 1.00 34.12 H new ATOM 0 HE3 LYS A 100 -13.330 7.567 5.191 1.00 34.12 H new ATOM 0 HZ1 LYS A 100 -13.891 7.314 7.469 1.00 23.25 H new ATOM 0 HZ2 LYS A 100 -14.777 6.144 6.616 1.00 23.25 H new ATOM 0 HZ3 LYS A 100 -13.398 5.690 7.496 1.00 23.25 H new ATOM 1646 N LYS A 101 -14.004 0.415 5.584 1.00 33.22 N ATOM 1647 CA LYS A 101 -15.049 -0.204 6.427 1.00 1.04 C ATOM 1648 C LYS A 101 -14.542 -1.491 7.118 1.00 41.21 C ATOM 1649 O LYS A 101 -15.233 -2.046 7.977 1.00 5.14 O ATOM 1650 CB LYS A 101 -16.306 -0.492 5.577 1.00 22.42 C ATOM 1651 CG LYS A 101 -17.027 0.778 5.051 1.00 32.33 C ATOM 1652 CD LYS A 101 -18.110 0.446 3.998 1.00 22.25 C ATOM 1653 CE LYS A 101 -19.187 -0.508 4.534 1.00 4.33 C ATOM 1654 NZ LYS A 101 -20.106 -0.979 3.463 1.00 62.05 N ATOM 0 H LYS A 101 -14.136 0.241 4.588 1.00 33.22 H new ATOM 0 HA LYS A 101 -15.308 0.500 7.218 1.00 1.04 H new ATOM 0 HB2 LYS A 101 -16.021 -1.112 4.727 1.00 22.42 H new ATOM 0 HB3 LYS A 101 -17.009 -1.073 6.174 1.00 22.42 H new ATOM 0 HG2 LYS A 101 -17.486 1.305 5.887 1.00 32.33 H new ATOM 0 HG3 LYS A 101 -16.293 1.454 4.613 1.00 32.33 H new ATOM 0 HD2 LYS A 101 -18.583 1.370 3.665 1.00 22.25 H new ATOM 0 HD3 LYS A 101 -17.636 -0.002 3.125 1.00 22.25 H new ATOM 0 HE2 LYS A 101 -18.708 -1.367 5.003 1.00 4.33 H new ATOM 0 HE3 LYS A 101 -19.764 -0.003 5.309 1.00 4.33 H new ATOM 0 HZ1 LYS A 101 -20.816 -1.620 3.872 1.00 62.05 H new ATOM 0 HZ2 LYS A 101 -20.584 -0.162 3.032 1.00 62.05 H new ATOM 0 HZ3 LYS A 101 -19.561 -1.484 2.735 1.00 62.05 H new ATOM 1668 N LYS A 102 -13.361 -1.982 6.699 1.00 45.13 N ATOM 1669 CA LYS A 102 -12.629 -3.061 7.404 1.00 43.31 C ATOM 1670 C LYS A 102 -11.636 -2.461 8.445 1.00 34.44 C ATOM 1671 O LYS A 102 -10.870 -3.198 9.076 1.00 4.42 O ATOM 1672 CB LYS A 102 -11.860 -3.932 6.379 1.00 54.05 C ATOM 1673 CG LYS A 102 -12.732 -4.698 5.359 1.00 70.04 C ATOM 1674 CD LYS A 102 -11.874 -5.437 4.302 1.00 1.35 C ATOM 1675 CE LYS A 102 -12.710 -6.217 3.281 1.00 55.12 C ATOM 1676 NZ LYS A 102 -13.705 -5.356 2.594 1.00 5.53 N ATOM 0 H LYS A 102 -12.884 -1.645 5.863 1.00 45.13 H new ATOM 0 HA LYS A 102 -13.351 -3.683 7.934 1.00 43.31 H new ATOM 0 HB2 LYS A 102 -11.171 -3.290 5.830 1.00 54.05 H new ATOM 0 HB3 LYS A 102 -11.255 -4.655 6.926 1.00 54.05 H new ATOM 0 HG2 LYS A 102 -13.358 -5.418 5.886 1.00 70.04 H new ATOM 0 HG3 LYS A 102 -13.402 -3.999 4.858 1.00 70.04 H new ATOM 0 HD2 LYS A 102 -11.254 -4.711 3.775 1.00 1.35 H new ATOM 0 HD3 LYS A 102 -11.198 -6.125 4.809 1.00 1.35 H new ATOM 0 HE2 LYS A 102 -12.049 -6.667 2.540 1.00 55.12 H new ATOM 0 HE3 LYS A 102 -13.226 -7.034 3.785 1.00 55.12 H new ATOM 0 HZ1 LYS A 102 -13.763 -5.625 1.591 1.00 5.53 H new ATOM 0 HZ2 LYS A 102 -14.637 -5.478 3.040 1.00 5.53 H new ATOM 0 HZ3 LYS A 102 -13.413 -4.361 2.669 1.00 5.53 H new ATOM 1690 N GLY A 103 -11.648 -1.117 8.598 1.00 50.31 N ATOM 1691 CA GLY A 103 -10.804 -0.414 9.578 1.00 60.22 C ATOM 1692 C GLY A 103 -9.383 -0.180 9.094 1.00 51.22 C ATOM 1693 O GLY A 103 -8.446 -0.118 9.904 1.00 52.10 O ATOM 0 H GLY A 103 -12.241 -0.497 8.047 1.00 50.31 H new ATOM 0 HA2 GLY A 103 -11.261 0.546 9.817 1.00 60.22 H new ATOM 0 HA3 GLY A 103 -10.775 -0.992 10.502 1.00 60.22 H new ATOM 1697 N TYR A 104 -9.215 -0.074 7.767 1.00 64.22 N ATOM 1698 CA TYR A 104 -7.921 0.266 7.151 1.00 53.25 C ATOM 1699 C TYR A 104 -7.934 1.769 6.797 1.00 13.52 C ATOM 1700 O TYR A 104 -8.968 2.290 6.355 1.00 11.13 O ATOM 1701 CB TYR A 104 -7.660 -0.593 5.874 1.00 12.31 C ATOM 1702 CG TYR A 104 -7.879 -2.122 6.021 1.00 71.42 C ATOM 1703 CD1 TYR A 104 -7.608 -2.810 7.209 1.00 31.05 C ATOM 1704 CD2 TYR A 104 -8.366 -2.874 4.951 1.00 34.01 C ATOM 1705 CE1 TYR A 104 -7.824 -4.176 7.309 1.00 33.50 C ATOM 1706 CE2 TYR A 104 -8.584 -4.225 5.051 1.00 24.14 C ATOM 1707 CZ TYR A 104 -8.313 -4.873 6.227 1.00 74.12 C ATOM 1708 OH TYR A 104 -8.540 -6.227 6.322 1.00 31.13 O ATOM 0 H TYR A 104 -9.967 -0.220 7.093 1.00 64.22 H new ATOM 0 HA TYR A 104 -7.116 0.051 7.854 1.00 53.25 H new ATOM 0 HB2 TYR A 104 -8.309 -0.229 5.078 1.00 12.31 H new ATOM 0 HB3 TYR A 104 -6.633 -0.423 5.551 1.00 12.31 H new ATOM 0 HD1 TYR A 104 -7.225 -2.269 8.061 1.00 31.05 H new ATOM 0 HD2 TYR A 104 -8.578 -2.377 4.016 1.00 34.01 H new ATOM 0 HE1 TYR A 104 -7.609 -4.692 8.233 1.00 33.50 H new ATOM 0 HE2 TYR A 104 -8.968 -4.776 4.205 1.00 24.14 H new ATOM 0 HH TYR A 104 -8.886 -6.561 5.468 1.00 31.13 H new ATOM 1718 N ASP A 105 -6.811 2.461 7.031 1.00 35.21 N ATOM 1719 CA ASP A 105 -6.647 3.888 6.683 1.00 34.34 C ATOM 1720 C ASP A 105 -6.372 4.013 5.167 1.00 23.55 C ATOM 1721 O ASP A 105 -5.241 3.830 4.719 1.00 30.13 O ATOM 1722 CB ASP A 105 -5.468 4.469 7.523 1.00 72.25 C ATOM 1723 CG ASP A 105 -5.144 5.950 7.248 1.00 2.14 C ATOM 1724 OD1 ASP A 105 -6.067 6.799 7.280 1.00 44.14 O ATOM 1725 OD2 ASP A 105 -3.958 6.281 7.047 1.00 41.52 O ATOM 0 H ASP A 105 -5.986 2.050 7.468 1.00 35.21 H new ATOM 0 HA ASP A 105 -7.552 4.451 6.910 1.00 34.34 H new ATOM 0 HB2 ASP A 105 -5.704 4.354 8.581 1.00 72.25 H new ATOM 0 HB3 ASP A 105 -4.575 3.875 7.329 1.00 72.25 H new ATOM 1730 N VAL A 106 -7.412 4.336 4.373 1.00 21.31 N ATOM 1731 CA VAL A 106 -7.326 4.293 2.903 1.00 14.25 C ATOM 1732 C VAL A 106 -7.239 5.711 2.328 1.00 53.43 C ATOM 1733 O VAL A 106 -7.926 6.628 2.789 1.00 70.42 O ATOM 1734 CB VAL A 106 -8.560 3.529 2.281 1.00 12.11 C ATOM 1735 CG1 VAL A 106 -8.382 3.271 0.761 1.00 40.30 C ATOM 1736 CG2 VAL A 106 -8.813 2.211 3.029 1.00 0.12 C ATOM 0 H VAL A 106 -8.322 4.630 4.728 1.00 21.31 H new ATOM 0 HA VAL A 106 -6.420 3.748 2.638 1.00 14.25 H new ATOM 0 HB VAL A 106 -9.432 4.173 2.399 1.00 12.11 H new ATOM 0 HG11 VAL A 106 -9.255 2.743 0.377 1.00 40.30 H new ATOM 0 HG12 VAL A 106 -8.275 4.223 0.240 1.00 40.30 H new ATOM 0 HG13 VAL A 106 -7.491 2.666 0.597 1.00 40.30 H new ATOM 0 HG21 VAL A 106 -9.667 1.699 2.586 1.00 0.12 H new ATOM 0 HG22 VAL A 106 -7.931 1.575 2.955 1.00 0.12 H new ATOM 0 HG23 VAL A 106 -9.021 2.422 4.078 1.00 0.12 H new ATOM 1746 N TYR A 107 -6.352 5.871 1.349 1.00 53.00 N ATOM 1747 CA TYR A 107 -6.226 7.071 0.530 1.00 74.34 C ATOM 1748 C TYR A 107 -6.591 6.705 -0.913 1.00 12.44 C ATOM 1749 O TYR A 107 -6.414 5.551 -1.330 1.00 35.11 O ATOM 1750 CB TYR A 107 -4.768 7.589 0.570 1.00 61.44 C ATOM 1751 CG TYR A 107 -4.231 7.901 1.977 1.00 53.13 C ATOM 1752 CD1 TYR A 107 -3.621 6.911 2.746 1.00 22.24 C ATOM 1753 CD2 TYR A 107 -4.322 9.182 2.528 1.00 31.23 C ATOM 1754 CE1 TYR A 107 -3.129 7.184 4.003 1.00 1.40 C ATOM 1755 CE2 TYR A 107 -3.826 9.457 3.786 1.00 44.32 C ATOM 1756 CZ TYR A 107 -3.232 8.456 4.517 1.00 1.05 C ATOM 1757 OH TYR A 107 -2.739 8.721 5.774 1.00 30.32 O ATOM 0 H TYR A 107 -5.681 5.146 1.097 1.00 53.00 H new ATOM 0 HA TYR A 107 -6.888 7.850 0.909 1.00 74.34 H new ATOM 0 HB2 TYR A 107 -4.120 6.845 0.106 1.00 61.44 H new ATOM 0 HB3 TYR A 107 -4.702 8.492 -0.037 1.00 61.44 H new ATOM 0 HD1 TYR A 107 -3.533 5.911 2.348 1.00 22.24 H new ATOM 0 HD2 TYR A 107 -4.789 9.972 1.958 1.00 31.23 H new ATOM 0 HE1 TYR A 107 -2.663 6.401 4.584 1.00 1.40 H new ATOM 0 HE2 TYR A 107 -3.904 10.454 4.194 1.00 44.32 H new ATOM 0 HH TYR A 107 -1.801 8.998 5.706 1.00 30.32 H new ATOM 1767 N THR A 108 -7.093 7.682 -1.663 1.00 33.11 N ATOM 1768 CA THR A 108 -7.381 7.538 -3.102 1.00 65.23 C ATOM 1769 C THR A 108 -6.741 8.699 -3.868 1.00 2.52 C ATOM 1770 O THR A 108 -6.478 9.763 -3.288 1.00 30.31 O ATOM 1771 CB THR A 108 -8.925 7.481 -3.368 1.00 64.33 C ATOM 1772 OG1 THR A 108 -9.595 8.530 -2.646 1.00 20.20 O ATOM 1773 CG2 THR A 108 -9.525 6.119 -2.978 1.00 52.11 C ATOM 0 H THR A 108 -7.316 8.606 -1.294 1.00 33.11 H new ATOM 0 HA THR A 108 -6.955 6.598 -3.453 1.00 65.23 H new ATOM 0 HB THR A 108 -9.075 7.620 -4.439 1.00 64.33 H new ATOM 0 HG1 THR A 108 -10.558 8.485 -2.822 1.00 20.20 H new ATOM 0 HG21 THR A 108 -10.596 6.123 -3.178 1.00 52.11 H new ATOM 0 HG22 THR A 108 -9.049 5.331 -3.562 1.00 52.11 H new ATOM 0 HG23 THR A 108 -9.355 5.937 -1.917 1.00 52.11 H new ATOM 1781 N SER A 109 -6.492 8.486 -5.168 1.00 60.31 N ATOM 1782 CA SER A 109 -5.827 9.472 -6.021 1.00 34.23 C ATOM 1783 C SER A 109 -6.248 9.311 -7.484 1.00 25.02 C ATOM 1784 O SER A 109 -6.246 8.198 -8.016 1.00 40.13 O ATOM 1785 CB SER A 109 -4.299 9.317 -5.867 1.00 31.45 C ATOM 1786 OG SER A 109 -3.878 7.982 -6.071 1.00 50.32 O ATOM 0 H SER A 109 -6.747 7.626 -5.654 1.00 60.31 H new ATOM 0 HA SER A 109 -6.124 10.474 -5.710 1.00 34.23 H new ATOM 0 HB2 SER A 109 -3.795 9.969 -6.580 1.00 31.45 H new ATOM 0 HB3 SER A 109 -4.000 9.643 -4.871 1.00 31.45 H new ATOM 0 HG SER A 109 -3.179 7.757 -5.422 1.00 50.32 H new ATOM 1792 N ARG A 110 -6.607 10.442 -8.115 1.00 73.00 N ATOM 1793 CA ARG A 110 -6.962 10.506 -9.544 1.00 14.42 C ATOM 1794 C ARG A 110 -5.724 10.342 -10.445 1.00 4.51 C ATOM 1795 O ARG A 110 -5.852 9.955 -11.613 1.00 73.30 O ATOM 1796 CB ARG A 110 -7.674 11.850 -9.863 1.00 51.23 C ATOM 1797 CG ARG A 110 -9.108 11.989 -9.305 1.00 31.35 C ATOM 1798 CD ARG A 110 -10.076 10.980 -9.936 1.00 44.31 C ATOM 1799 NE ARG A 110 -10.059 11.033 -11.411 1.00 60.44 N ATOM 1800 CZ ARG A 110 -10.782 10.249 -12.226 1.00 33.30 C ATOM 1801 NH1 ARG A 110 -11.600 9.322 -11.745 1.00 12.04 N ATOM 1802 NH2 ARG A 110 -10.657 10.375 -13.542 1.00 4.14 N ATOM 0 H ARG A 110 -6.660 11.345 -7.644 1.00 73.00 H new ATOM 0 HA ARG A 110 -7.641 9.679 -9.751 1.00 14.42 H new ATOM 0 HB2 ARG A 110 -7.068 12.665 -9.468 1.00 51.23 H new ATOM 0 HB3 ARG A 110 -7.710 11.975 -10.945 1.00 51.23 H new ATOM 0 HG2 ARG A 110 -9.091 11.847 -8.224 1.00 31.35 H new ATOM 0 HG3 ARG A 110 -9.471 13.001 -9.487 1.00 31.35 H new ATOM 0 HD2 ARG A 110 -9.813 9.974 -9.608 1.00 44.31 H new ATOM 0 HD3 ARG A 110 -11.087 11.178 -9.579 1.00 44.31 H new ATOM 0 HE ARG A 110 -9.447 11.723 -11.847 1.00 60.44 H new ATOM 0 HH11 ARG A 110 -11.689 9.194 -10.737 1.00 12.04 H new ATOM 0 HH12 ARG A 110 -12.140 8.737 -12.383 1.00 12.04 H new ATOM 0 HH21 ARG A 110 -10.014 11.065 -13.929 1.00 4.14 H new ATOM 0 HH22 ARG A 110 -11.204 9.781 -14.165 1.00 4.14 H new ATOM 1816 N ASN A 111 -4.533 10.652 -9.904 1.00 10.35 N ATOM 1817 CA ASN A 111 -3.265 10.522 -10.643 1.00 74.22 C ATOM 1818 C ASN A 111 -2.077 10.332 -9.681 1.00 45.44 C ATOM 1819 O ASN A 111 -2.242 10.344 -8.458 1.00 34.13 O ATOM 1820 CB ASN A 111 -3.052 11.746 -11.585 1.00 45.02 C ATOM 1821 CG ASN A 111 -2.721 13.047 -10.851 1.00 42.41 C ATOM 1822 OD1 ASN A 111 -1.562 13.365 -10.632 1.00 11.24 O ATOM 1823 ND2 ASN A 111 -3.723 13.799 -10.461 1.00 2.05 N ATOM 0 H ASN A 111 -4.422 10.997 -8.950 1.00 10.35 H new ATOM 0 HA ASN A 111 -3.321 9.629 -11.265 1.00 74.22 H new ATOM 0 HB2 ASN A 111 -2.245 11.519 -12.282 1.00 45.02 H new ATOM 0 HB3 ASN A 111 -3.954 11.895 -12.179 1.00 45.02 H new ATOM 0 HD21 ASN A 111 -3.543 14.671 -9.963 1.00 2.05 H new ATOM 0 HD22 ASN A 111 -4.682 13.512 -10.656 1.00 2.05 H new ATOM 1830 N GLU A 112 -0.887 10.180 -10.281 1.00 73.51 N ATOM 1831 CA GLU A 112 0.380 9.857 -9.601 1.00 73.21 C ATOM 1832 C GLU A 112 0.855 10.980 -8.648 1.00 41.54 C ATOM 1833 O GLU A 112 1.459 10.696 -7.608 1.00 11.12 O ATOM 1834 CB GLU A 112 1.443 9.594 -10.685 1.00 21.43 C ATOM 1835 CG GLU A 112 2.849 9.235 -10.169 1.00 54.02 C ATOM 1836 CD GLU A 112 3.886 9.353 -11.288 1.00 61.00 C ATOM 1837 OE1 GLU A 112 4.053 8.404 -12.081 1.00 2.02 O ATOM 1838 OE2 GLU A 112 4.495 10.438 -11.420 1.00 2.20 O ATOM 0 H GLU A 112 -0.775 10.282 -11.290 1.00 73.51 H new ATOM 0 HA GLU A 112 0.224 8.977 -8.977 1.00 73.21 H new ATOM 0 HB2 GLU A 112 1.092 8.783 -11.323 1.00 21.43 H new ATOM 0 HB3 GLU A 112 1.522 10.481 -11.313 1.00 21.43 H new ATOM 0 HG2 GLU A 112 3.119 9.897 -9.346 1.00 54.02 H new ATOM 0 HG3 GLU A 112 2.848 8.219 -9.774 1.00 54.02 H new ATOM 1845 N ASP A 113 0.596 12.253 -9.018 1.00 22.24 N ATOM 1846 CA ASP A 113 0.949 13.421 -8.174 1.00 32.30 C ATOM 1847 C ASP A 113 0.175 13.377 -6.853 1.00 14.34 C ATOM 1848 O ASP A 113 0.762 13.518 -5.778 1.00 72.12 O ATOM 1849 CB ASP A 113 0.672 14.763 -8.904 1.00 73.41 C ATOM 1850 CG ASP A 113 1.553 14.961 -10.149 1.00 4.30 C ATOM 1851 OD1 ASP A 113 1.180 14.486 -11.243 1.00 33.33 O ATOM 1852 OD2 ASP A 113 2.641 15.563 -10.029 1.00 63.21 O ATOM 0 H ASP A 113 0.143 12.501 -9.897 1.00 22.24 H new ATOM 0 HA ASP A 113 2.018 13.365 -7.969 1.00 32.30 H new ATOM 0 HB2 ASP A 113 -0.377 14.801 -9.198 1.00 73.41 H new ATOM 0 HB3 ASP A 113 0.839 15.588 -8.212 1.00 73.41 H new ATOM 1857 N GLU A 114 -1.151 13.158 -6.971 1.00 34.11 N ATOM 1858 CA GLU A 114 -2.058 12.986 -5.821 1.00 53.32 C ATOM 1859 C GLU A 114 -1.664 11.758 -4.986 1.00 62.41 C ATOM 1860 O GLU A 114 -1.742 11.790 -3.758 1.00 3.33 O ATOM 1861 CB GLU A 114 -3.515 12.846 -6.310 1.00 11.21 C ATOM 1862 CG GLU A 114 -4.111 14.119 -6.924 1.00 61.45 C ATOM 1863 CD GLU A 114 -5.514 13.899 -7.495 1.00 72.12 C ATOM 1864 OE1 GLU A 114 -6.347 13.245 -6.822 1.00 14.23 O ATOM 1865 OE2 GLU A 114 -5.790 14.353 -8.625 1.00 32.03 O ATOM 0 H GLU A 114 -1.624 13.095 -7.873 1.00 34.11 H new ATOM 0 HA GLU A 114 -1.975 13.870 -5.189 1.00 53.32 H new ATOM 0 HB2 GLU A 114 -3.560 12.047 -7.050 1.00 11.21 H new ATOM 0 HB3 GLU A 114 -4.138 12.538 -5.470 1.00 11.21 H new ATOM 0 HG2 GLU A 114 -4.151 14.900 -6.164 1.00 61.45 H new ATOM 0 HG3 GLU A 114 -3.453 14.478 -7.716 1.00 61.45 H new ATOM 1872 N ALA A 115 -1.237 10.692 -5.687 1.00 63.13 N ATOM 1873 CA ALA A 115 -0.774 9.440 -5.066 1.00 51.41 C ATOM 1874 C ALA A 115 0.430 9.693 -4.166 1.00 54.32 C ATOM 1875 O ALA A 115 0.523 9.120 -3.089 1.00 61.41 O ATOM 1876 CB ALA A 115 -0.412 8.421 -6.145 1.00 31.03 C ATOM 0 H ALA A 115 -1.204 10.676 -6.706 1.00 63.13 H new ATOM 0 HA ALA A 115 -1.584 9.043 -4.454 1.00 51.41 H new ATOM 0 HB1 ALA A 115 -0.071 7.499 -5.675 1.00 31.03 H new ATOM 0 HB2 ALA A 115 -1.289 8.213 -6.758 1.00 31.03 H new ATOM 0 HB3 ALA A 115 0.383 8.823 -6.773 1.00 31.03 H new ATOM 1882 N LYS A 116 1.327 10.574 -4.640 1.00 11.21 N ATOM 1883 CA LYS A 116 2.567 10.943 -3.950 1.00 72.43 C ATOM 1884 C LYS A 116 2.281 11.848 -2.729 1.00 3.11 C ATOM 1885 O LYS A 116 3.006 11.780 -1.724 1.00 70.31 O ATOM 1886 CB LYS A 116 3.532 11.622 -4.953 1.00 52.23 C ATOM 1887 CG LYS A 116 4.946 11.915 -4.387 1.00 12.13 C ATOM 1888 CD LYS A 116 5.916 12.438 -5.467 1.00 34.02 C ATOM 1889 CE LYS A 116 6.125 11.431 -6.609 1.00 4.42 C ATOM 1890 NZ LYS A 116 7.047 11.961 -7.644 1.00 34.24 N ATOM 0 H LYS A 116 1.205 11.057 -5.530 1.00 11.21 H new ATOM 0 HA LYS A 116 3.043 10.041 -3.566 1.00 72.43 H new ATOM 0 HB2 LYS A 116 3.631 10.984 -5.831 1.00 52.23 H new ATOM 0 HB3 LYS A 116 3.087 12.559 -5.288 1.00 52.23 H new ATOM 0 HG2 LYS A 116 4.868 12.650 -3.586 1.00 12.13 H new ATOM 0 HG3 LYS A 116 5.354 11.005 -3.946 1.00 12.13 H new ATOM 0 HD2 LYS A 116 5.530 13.371 -5.876 1.00 34.02 H new ATOM 0 HD3 LYS A 116 6.878 12.666 -5.007 1.00 34.02 H new ATOM 0 HE2 LYS A 116 6.526 10.501 -6.206 1.00 4.42 H new ATOM 0 HE3 LYS A 116 5.164 11.193 -7.065 1.00 4.42 H new ATOM 0 HZ1 LYS A 116 6.531 12.085 -8.538 1.00 34.24 H new ATOM 0 HZ2 LYS A 116 7.427 12.878 -7.334 1.00 34.24 H new ATOM 0 HZ3 LYS A 116 7.830 11.292 -7.786 1.00 34.24 H new ATOM 1904 N LYS A 117 1.216 12.685 -2.824 1.00 11.25 N ATOM 1905 CA LYS A 117 0.744 13.511 -1.685 1.00 13.11 C ATOM 1906 C LYS A 117 0.310 12.570 -0.542 1.00 50.12 C ATOM 1907 O LYS A 117 0.785 12.669 0.589 1.00 4.54 O ATOM 1908 CB LYS A 117 -0.463 14.433 -2.076 1.00 13.44 C ATOM 1909 CG LYS A 117 -0.298 15.259 -3.373 1.00 53.30 C ATOM 1910 CD LYS A 117 0.950 16.168 -3.408 1.00 1.52 C ATOM 1911 CE LYS A 117 0.898 17.297 -2.374 1.00 44.43 C ATOM 1912 NZ LYS A 117 2.123 18.143 -2.428 1.00 32.32 N ATOM 0 H LYS A 117 0.669 12.805 -3.677 1.00 11.25 H new ATOM 0 HA LYS A 117 1.564 14.159 -1.376 1.00 13.11 H new ATOM 0 HB2 LYS A 117 -1.352 13.810 -2.177 1.00 13.44 H new ATOM 0 HB3 LYS A 117 -0.649 15.122 -1.252 1.00 13.44 H new ATOM 0 HG2 LYS A 117 -0.255 14.574 -4.220 1.00 53.30 H new ATOM 0 HG3 LYS A 117 -1.185 15.878 -3.508 1.00 53.30 H new ATOM 0 HD2 LYS A 117 1.839 15.562 -3.232 1.00 1.52 H new ATOM 0 HD3 LYS A 117 1.051 16.599 -4.404 1.00 1.52 H new ATOM 0 HE2 LYS A 117 0.019 17.916 -2.553 1.00 44.43 H new ATOM 0 HE3 LYS A 117 0.791 16.873 -1.376 1.00 44.43 H new ATOM 0 HZ1 LYS A 117 2.055 18.898 -1.715 1.00 32.32 H new ATOM 0 HZ2 LYS A 117 2.959 17.556 -2.233 1.00 32.32 H new ATOM 0 HZ3 LYS A 117 2.211 18.567 -3.374 1.00 32.32 H new ATOM 1926 N LYS A 118 -0.545 11.609 -0.923 1.00 54.20 N ATOM 1927 CA LYS A 118 -1.145 10.608 -0.029 1.00 32.21 C ATOM 1928 C LYS A 118 -0.109 9.579 0.449 1.00 41.41 C ATOM 1929 O LYS A 118 -0.276 8.971 1.510 1.00 44.43 O ATOM 1930 CB LYS A 118 -2.335 9.921 -0.763 1.00 50.12 C ATOM 1931 CG LYS A 118 -3.456 10.904 -1.194 1.00 4.54 C ATOM 1932 CD LYS A 118 -3.997 11.730 -0.006 1.00 64.45 C ATOM 1933 CE LYS A 118 -4.912 12.889 -0.421 1.00 44.13 C ATOM 1934 NZ LYS A 118 -5.208 13.761 0.749 1.00 43.22 N ATOM 0 H LYS A 118 -0.847 11.504 -1.892 1.00 54.20 H new ATOM 0 HA LYS A 118 -1.516 11.108 0.865 1.00 32.21 H new ATOM 0 HB2 LYS A 118 -1.957 9.406 -1.646 1.00 50.12 H new ATOM 0 HB3 LYS A 118 -2.763 9.161 -0.110 1.00 50.12 H new ATOM 0 HG2 LYS A 118 -3.071 11.579 -1.958 1.00 4.54 H new ATOM 0 HG3 LYS A 118 -4.274 10.344 -1.647 1.00 4.54 H new ATOM 0 HD2 LYS A 118 -4.546 11.068 0.664 1.00 64.45 H new ATOM 0 HD3 LYS A 118 -3.155 12.129 0.560 1.00 64.45 H new ATOM 0 HE2 LYS A 118 -4.435 13.474 -1.207 1.00 44.13 H new ATOM 0 HE3 LYS A 118 -5.841 12.497 -0.835 1.00 44.13 H new ATOM 0 HZ1 LYS A 118 -5.637 14.649 0.420 1.00 43.22 H new ATOM 0 HZ2 LYS A 118 -5.868 13.273 1.388 1.00 43.22 H new ATOM 0 HZ3 LYS A 118 -4.326 13.971 1.258 1.00 43.22 H new ATOM 1948 N LEU A 119 0.945 9.392 -0.365 1.00 11.24 N ATOM 1949 CA LEU A 119 2.060 8.476 -0.074 1.00 61.41 C ATOM 1950 C LEU A 119 2.873 8.990 1.110 1.00 10.44 C ATOM 1951 O LEU A 119 3.152 8.235 2.041 1.00 2.42 O ATOM 1952 CB LEU A 119 2.962 8.308 -1.329 1.00 13.25 C ATOM 1953 CG LEU A 119 4.165 7.314 -1.225 1.00 73.22 C ATOM 1954 CD1 LEU A 119 3.696 5.882 -0.866 1.00 61.25 C ATOM 1955 CD2 LEU A 119 4.988 7.329 -2.534 1.00 1.45 C ATOM 0 H LEU A 119 1.047 9.880 -1.255 1.00 11.24 H new ATOM 0 HA LEU A 119 1.652 7.500 0.188 1.00 61.41 H new ATOM 0 HB2 LEU A 119 2.330 7.986 -2.157 1.00 13.25 H new ATOM 0 HB3 LEU A 119 3.358 9.289 -1.593 1.00 13.25 H new ATOM 0 HG LEU A 119 4.809 7.647 -0.412 1.00 73.22 H new ATOM 0 HD11 LEU A 119 4.560 5.221 -0.803 1.00 61.25 H new ATOM 0 HD12 LEU A 119 3.181 5.898 0.094 1.00 61.25 H new ATOM 0 HD13 LEU A 119 3.016 5.518 -1.636 1.00 61.25 H new ATOM 0 HD21 LEU A 119 5.822 6.633 -2.447 1.00 1.45 H new ATOM 0 HD22 LEU A 119 4.352 7.031 -3.367 1.00 1.45 H new ATOM 0 HD23 LEU A 119 5.371 8.334 -2.711 1.00 1.45 H new ATOM 1967 N LYS A 120 3.227 10.291 1.079 1.00 24.53 N ATOM 1968 CA LYS A 120 3.985 10.917 2.179 1.00 53.00 C ATOM 1969 C LYS A 120 3.114 11.081 3.431 1.00 32.24 C ATOM 1970 O LYS A 120 3.633 11.026 4.536 1.00 21.14 O ATOM 1971 CB LYS A 120 4.582 12.279 1.775 1.00 74.21 C ATOM 1972 CG LYS A 120 5.601 12.225 0.616 1.00 32.53 C ATOM 1973 CD LYS A 120 6.488 13.493 0.510 1.00 75.54 C ATOM 1974 CE LYS A 120 5.702 14.825 0.414 1.00 61.12 C ATOM 1975 NZ LYS A 120 5.197 15.333 1.722 1.00 55.14 N ATOM 0 H LYS A 120 3.002 10.923 0.311 1.00 24.53 H new ATOM 0 HA LYS A 120 4.811 10.243 2.407 1.00 53.00 H new ATOM 0 HB2 LYS A 120 3.768 12.947 1.493 1.00 74.21 H new ATOM 0 HB3 LYS A 120 5.068 12.719 2.646 1.00 74.21 H new ATOM 0 HG2 LYS A 120 6.242 11.353 0.747 1.00 32.53 H new ATOM 0 HG3 LYS A 120 5.064 12.088 -0.323 1.00 32.53 H new ATOM 0 HD2 LYS A 120 7.144 13.535 1.380 1.00 75.54 H new ATOM 0 HD3 LYS A 120 7.128 13.400 -0.367 1.00 75.54 H new ATOM 0 HE2 LYS A 120 6.346 15.582 -0.033 1.00 61.12 H new ATOM 0 HE3 LYS A 120 4.857 14.687 -0.260 1.00 61.12 H new ATOM 0 HZ1 LYS A 120 5.249 16.372 1.734 1.00 55.14 H new ATOM 0 HZ2 LYS A 120 4.210 15.034 1.853 1.00 55.14 H new ATOM 0 HZ3 LYS A 120 5.780 14.948 2.492 1.00 55.14 H new ATOM 1989 N GLU A 121 1.792 11.292 3.237 1.00 54.23 N ATOM 1990 CA GLU A 121 0.815 11.322 4.352 1.00 54.22 C ATOM 1991 C GLU A 121 0.799 9.964 5.076 1.00 0.51 C ATOM 1992 O GLU A 121 0.799 9.912 6.302 1.00 61.41 O ATOM 1993 CB GLU A 121 -0.607 11.691 3.841 1.00 14.12 C ATOM 1994 CG GLU A 121 -0.765 13.161 3.391 1.00 34.43 C ATOM 1995 CD GLU A 121 -2.150 13.477 2.795 1.00 34.31 C ATOM 1996 OE1 GLU A 121 -3.173 13.134 3.434 1.00 13.11 O ATOM 1997 OE2 GLU A 121 -2.226 14.071 1.692 1.00 23.43 O ATOM 0 H GLU A 121 1.376 11.444 2.318 1.00 54.23 H new ATOM 0 HA GLU A 121 1.123 12.093 5.059 1.00 54.22 H new ATOM 0 HB2 GLU A 121 -0.859 11.039 3.005 1.00 14.12 H new ATOM 0 HB3 GLU A 121 -1.328 11.487 4.633 1.00 14.12 H new ATOM 0 HG2 GLU A 121 -0.588 13.815 4.245 1.00 34.43 H new ATOM 0 HG3 GLU A 121 0.001 13.390 2.650 1.00 34.43 H new ATOM 2004 N ALA A 122 0.834 8.883 4.279 1.00 33.23 N ATOM 2005 CA ALA A 122 0.893 7.495 4.771 1.00 31.31 C ATOM 2006 C ALA A 122 2.202 7.222 5.529 1.00 63.14 C ATOM 2007 O ALA A 122 2.206 6.533 6.557 1.00 31.43 O ATOM 2008 CB ALA A 122 0.764 6.534 3.587 1.00 22.55 C ATOM 0 H ALA A 122 0.822 8.949 3.261 1.00 33.23 H new ATOM 0 HA ALA A 122 0.069 7.341 5.467 1.00 31.31 H new ATOM 0 HB1 ALA A 122 0.807 5.506 3.946 1.00 22.55 H new ATOM 0 HB2 ALA A 122 -0.188 6.703 3.084 1.00 22.55 H new ATOM 0 HB3 ALA A 122 1.581 6.708 2.886 1.00 22.55 H new ATOM 2014 N LEU A 123 3.306 7.769 4.991 1.00 64.41 N ATOM 2015 CA LEU A 123 4.648 7.654 5.590 1.00 51.22 C ATOM 2016 C LEU A 123 4.751 8.494 6.885 1.00 14.44 C ATOM 2017 O LEU A 123 5.460 8.126 7.812 1.00 53.20 O ATOM 2018 CB LEU A 123 5.730 8.048 4.537 1.00 5.22 C ATOM 2019 CG LEU A 123 5.851 7.077 3.302 1.00 71.33 C ATOM 2020 CD1 LEU A 123 6.745 7.665 2.186 1.00 2.10 C ATOM 2021 CD2 LEU A 123 6.347 5.676 3.740 1.00 12.22 C ATOM 0 H LEU A 123 3.293 8.306 4.124 1.00 64.41 H new ATOM 0 HA LEU A 123 4.826 6.618 5.879 1.00 51.22 H new ATOM 0 HB2 LEU A 123 5.509 9.050 4.170 1.00 5.22 H new ATOM 0 HB3 LEU A 123 6.698 8.098 5.036 1.00 5.22 H new ATOM 0 HG LEU A 123 4.851 6.965 2.883 1.00 71.33 H new ATOM 0 HD11 LEU A 123 6.800 6.962 1.355 1.00 2.10 H new ATOM 0 HD12 LEU A 123 6.320 8.606 1.837 1.00 2.10 H new ATOM 0 HD13 LEU A 123 7.747 7.842 2.578 1.00 2.10 H new ATOM 0 HD21 LEU A 123 6.421 5.027 2.867 1.00 12.22 H new ATOM 0 HD22 LEU A 123 7.327 5.767 4.209 1.00 12.22 H new ATOM 0 HD23 LEU A 123 5.642 5.247 4.453 1.00 12.22 H new ATOM 2033 N GLU A 124 4.001 9.603 6.966 1.00 33.41 N ATOM 2034 CA GLU A 124 3.925 10.416 8.201 1.00 53.23 C ATOM 2035 C GLU A 124 3.051 9.715 9.262 1.00 23.42 C ATOM 2036 O GLU A 124 3.273 9.886 10.463 1.00 42.32 O ATOM 2037 CB GLU A 124 3.395 11.841 7.894 1.00 10.42 C ATOM 2038 CG GLU A 124 4.381 12.734 7.092 1.00 21.12 C ATOM 2039 CD GLU A 124 3.865 14.159 6.795 1.00 34.12 C ATOM 2040 OE1 GLU A 124 2.882 14.605 7.420 1.00 40.41 O ATOM 2041 OE2 GLU A 124 4.448 14.841 5.929 1.00 30.25 O ATOM 0 H GLU A 124 3.437 9.962 6.195 1.00 33.41 H new ATOM 0 HA GLU A 124 4.932 10.516 8.606 1.00 53.23 H new ATOM 0 HB2 GLU A 124 2.464 11.756 7.334 1.00 10.42 H new ATOM 0 HB3 GLU A 124 3.157 12.338 8.835 1.00 10.42 H new ATOM 0 HG2 GLU A 124 5.316 12.809 7.647 1.00 21.12 H new ATOM 0 HG3 GLU A 124 4.610 12.241 6.147 1.00 21.12 H new ATOM 2048 N LYS A 125 2.064 8.919 8.801 1.00 20.33 N ATOM 2049 CA LYS A 125 1.191 8.108 9.686 1.00 61.14 C ATOM 2050 C LYS A 125 1.961 6.896 10.247 1.00 21.35 C ATOM 2051 O LYS A 125 1.657 6.422 11.349 1.00 24.13 O ATOM 2052 CB LYS A 125 -0.077 7.648 8.909 1.00 72.22 C ATOM 2053 CG LYS A 125 -1.047 8.798 8.535 1.00 13.41 C ATOM 2054 CD LYS A 125 -1.921 9.303 9.719 1.00 21.51 C ATOM 2055 CE LYS A 125 -3.210 8.477 9.894 1.00 62.24 C ATOM 2056 NZ LYS A 125 -4.105 8.597 8.701 1.00 61.15 N ATOM 0 H LYS A 125 1.847 8.818 7.809 1.00 20.33 H new ATOM 0 HA LYS A 125 0.877 8.724 10.528 1.00 61.14 H new ATOM 0 HB2 LYS A 125 0.235 7.140 7.996 1.00 72.22 H new ATOM 0 HB3 LYS A 125 -0.614 6.917 9.513 1.00 72.22 H new ATOM 0 HG2 LYS A 125 -0.468 9.634 8.143 1.00 13.41 H new ATOM 0 HG3 LYS A 125 -1.702 8.460 7.732 1.00 13.41 H new ATOM 0 HD2 LYS A 125 -1.339 9.262 10.640 1.00 21.51 H new ATOM 0 HD3 LYS A 125 -2.182 10.348 9.554 1.00 21.51 H new ATOM 0 HE2 LYS A 125 -2.953 7.430 10.054 1.00 62.24 H new ATOM 0 HE3 LYS A 125 -3.741 8.814 10.784 1.00 62.24 H new ATOM 0 HZ1 LYS A 125 -5.092 8.446 8.991 1.00 61.15 H new ATOM 0 HZ2 LYS A 125 -4.007 9.546 8.288 1.00 61.15 H new ATOM 0 HZ3 LYS A 125 -3.838 7.883 7.994 1.00 61.15 H new ATOM 2070 N SER A 126 2.951 6.403 9.477 1.00 53.52 N ATOM 2071 CA SER A 126 3.829 5.305 9.919 1.00 74.34 C ATOM 2072 C SER A 126 4.916 5.811 10.886 1.00 41.25 C ATOM 2073 O SER A 126 5.405 5.057 11.737 1.00 31.12 O ATOM 2074 CB SER A 126 4.467 4.596 8.697 1.00 1.35 C ATOM 2075 OG SER A 126 5.275 5.462 7.937 1.00 33.01 O ATOM 0 H SER A 126 3.162 6.751 8.542 1.00 53.52 H new ATOM 0 HA SER A 126 3.217 4.582 10.459 1.00 74.34 H new ATOM 0 HB2 SER A 126 5.066 3.753 9.041 1.00 1.35 H new ATOM 0 HB3 SER A 126 3.679 4.189 8.064 1.00 1.35 H new ATOM 0 HG SER A 126 5.082 6.390 8.184 1.00 33.01 H new ATOM 2081 N GLY A 127 5.260 7.102 10.751 1.00 10.53 N ATOM 2082 CA GLY A 127 6.332 7.736 11.532 1.00 52.11 C ATOM 2083 C GLY A 127 7.594 7.948 10.704 1.00 64.20 C ATOM 2084 O GLY A 127 8.573 8.517 11.196 1.00 70.22 O ATOM 0 H GLY A 127 4.801 7.735 10.096 1.00 10.53 H new ATOM 0 HA2 GLY A 127 5.983 8.696 11.913 1.00 52.11 H new ATOM 0 HA3 GLY A 127 6.566 7.115 12.397 1.00 52.11 H new ATOM 2088 N SER A 128 7.561 7.479 9.444 1.00 72.42 N ATOM 2089 CA SER A 128 8.625 7.688 8.456 1.00 0.24 C ATOM 2090 C SER A 128 8.614 9.163 7.997 1.00 64.24 C ATOM 2091 O SER A 128 7.936 9.525 7.031 1.00 1.02 O ATOM 2092 CB SER A 128 8.413 6.725 7.262 1.00 2.53 C ATOM 2093 OG SER A 128 8.322 5.379 7.702 1.00 44.12 O ATOM 0 H SER A 128 6.778 6.935 9.081 1.00 72.42 H new ATOM 0 HA SER A 128 9.598 7.475 8.898 1.00 0.24 H new ATOM 0 HB2 SER A 128 7.503 6.998 6.727 1.00 2.53 H new ATOM 0 HB3 SER A 128 9.239 6.826 6.558 1.00 2.53 H new ATOM 0 HG SER A 128 8.928 4.820 7.172 1.00 44.12 H new ATOM 2099 N LEU A 129 9.302 10.015 8.764 1.00 12.42 N ATOM 2100 CA LEU A 129 9.392 11.456 8.494 1.00 13.10 C ATOM 2101 C LEU A 129 10.695 11.754 7.734 1.00 42.34 C ATOM 2102 O LEU A 129 10.668 12.173 6.566 1.00 71.44 O ATOM 2103 CB LEU A 129 9.345 12.253 9.837 1.00 44.52 C ATOM 2104 CG LEU A 129 8.086 12.038 10.738 1.00 52.33 C ATOM 2105 CD1 LEU A 129 8.219 12.793 12.085 1.00 65.03 C ATOM 2106 CD2 LEU A 129 6.793 12.439 9.996 1.00 71.53 C ATOM 0 H LEU A 129 9.816 9.723 9.595 1.00 12.42 H new ATOM 0 HA LEU A 129 8.546 11.766 7.880 1.00 13.10 H new ATOM 0 HB2 LEU A 129 10.229 11.991 10.419 1.00 44.52 H new ATOM 0 HB3 LEU A 129 9.420 13.315 9.605 1.00 44.52 H new ATOM 0 HG LEU A 129 8.021 10.974 10.964 1.00 52.33 H new ATOM 0 HD11 LEU A 129 7.327 12.622 12.687 1.00 65.03 H new ATOM 0 HD12 LEU A 129 9.095 12.428 12.622 1.00 65.03 H new ATOM 0 HD13 LEU A 129 8.329 13.861 11.894 1.00 65.03 H new ATOM 0 HD21 LEU A 129 5.935 12.278 10.648 1.00 71.53 H new ATOM 0 HD22 LEU A 129 6.845 13.491 9.717 1.00 71.53 H new ATOM 0 HD23 LEU A 129 6.685 11.831 9.098 1.00 71.53 H new ATOM 2118 N GLU A 130 11.834 11.508 8.431 1.00 3.41 N ATOM 2119 CA GLU A 130 13.212 11.835 7.974 1.00 10.33 C ATOM 2120 C GLU A 130 13.431 13.364 7.809 1.00 60.41 C ATOM 2121 O GLU A 130 14.453 13.800 7.273 1.00 20.33 O ATOM 2122 CB GLU A 130 13.593 11.034 6.690 1.00 60.31 C ATOM 2123 CG GLU A 130 13.396 9.500 6.808 1.00 14.03 C ATOM 2124 CD GLU A 130 14.340 8.790 7.806 1.00 22.23 C ATOM 2125 OE1 GLU A 130 14.119 8.885 9.038 1.00 12.32 O ATOM 2126 OE2 GLU A 130 15.300 8.117 7.361 1.00 3.43 O ATOM 0 H GLU A 130 11.820 11.066 9.350 1.00 3.41 H new ATOM 0 HA GLU A 130 13.896 11.517 8.761 1.00 10.33 H new ATOM 0 HB2 GLU A 130 12.994 11.402 5.857 1.00 60.31 H new ATOM 0 HB3 GLU A 130 14.636 11.236 6.447 1.00 60.31 H new ATOM 0 HG2 GLU A 130 12.366 9.304 7.105 1.00 14.03 H new ATOM 0 HG3 GLU A 130 13.534 9.055 5.823 1.00 14.03 H new ATOM 2133 N HIS A 131 12.471 14.150 8.332 1.00 2.01 N ATOM 2134 CA HIS A 131 12.511 15.625 8.413 1.00 54.25 C ATOM 2135 C HIS A 131 11.815 16.048 9.718 1.00 20.54 C ATOM 2136 O HIS A 131 11.126 15.235 10.360 1.00 33.42 O ATOM 2137 CB HIS A 131 11.761 16.308 7.221 1.00 71.10 C ATOM 2138 CG HIS A 131 12.385 16.131 5.860 1.00 74.35 C ATOM 2139 ND1 HIS A 131 11.659 15.643 4.796 1.00 32.42 N ATOM 2140 CD2 HIS A 131 13.632 16.453 5.428 1.00 52.40 C ATOM 2141 CE1 HIS A 131 12.467 15.686 3.756 1.00 25.01 C ATOM 2142 NE2 HIS A 131 13.670 16.167 4.090 1.00 32.41 N ATOM 0 H HIS A 131 11.613 13.762 8.725 1.00 2.01 H new ATOM 0 HA HIS A 131 13.555 15.937 8.378 1.00 54.25 H new ATOM 0 HB2 HIS A 131 10.744 15.918 7.186 1.00 71.10 H new ATOM 0 HB3 HIS A 131 11.686 17.375 7.429 1.00 71.10 H new ATOM 0 HD2 HIS A 131 14.437 16.856 6.024 1.00 52.40 H new ATOM 0 HE1 HIS A 131 12.193 15.372 2.760 1.00 25.01 H new ATOM 0 HE2 HIS A 131 14.466 16.296 3.465 1.00 32.41 H new ATOM 2150 N HIS A 132 11.990 17.319 10.092 1.00 32.13 N ATOM 2151 CA HIS A 132 11.194 17.953 11.148 1.00 61.54 C ATOM 2152 C HIS A 132 9.796 18.287 10.575 1.00 53.14 C ATOM 2153 O HIS A 132 9.668 19.090 9.640 1.00 61.14 O ATOM 2154 CB HIS A 132 11.923 19.209 11.704 1.00 42.50 C ATOM 2155 CG HIS A 132 12.284 20.255 10.669 1.00 71.33 C ATOM 2156 ND1 HIS A 132 13.239 20.007 9.711 1.00 32.00 N ATOM 2157 CD2 HIS A 132 11.791 21.510 10.479 1.00 55.34 C ATOM 2158 CE1 HIS A 132 13.301 21.098 8.969 1.00 23.11 C ATOM 2159 NE2 HIS A 132 12.445 22.036 9.395 1.00 41.20 N ATOM 0 H HIS A 132 12.685 17.936 9.673 1.00 32.13 H new ATOM 0 HA HIS A 132 11.070 17.273 11.991 1.00 61.54 H new ATOM 0 HB2 HIS A 132 11.289 19.672 12.460 1.00 42.50 H new ATOM 0 HB3 HIS A 132 12.835 18.887 12.206 1.00 42.50 H new ATOM 0 HD2 HIS A 132 11.030 21.998 11.070 1.00 55.34 H new ATOM 0 HE1 HIS A 132 13.961 21.219 8.123 1.00 23.11 H new ATOM 0 HE2 HIS A 132 12.307 22.962 8.991 1.00 41.20 H new ATOM 2167 N HIS A 133 8.763 17.609 11.101 1.00 35.23 N ATOM 2168 CA HIS A 133 7.369 17.783 10.667 1.00 50.31 C ATOM 2169 C HIS A 133 6.850 19.159 11.142 1.00 34.04 C ATOM 2170 O HIS A 133 6.446 19.993 10.331 1.00 51.43 O ATOM 2171 CB HIS A 133 6.505 16.610 11.214 1.00 33.32 C ATOM 2172 CG HIS A 133 5.073 16.635 10.766 1.00 34.15 C ATOM 2173 ND1 HIS A 133 4.008 16.716 11.634 1.00 34.43 N ATOM 2174 CD2 HIS A 133 4.536 16.565 9.529 1.00 31.34 C ATOM 2175 CE1 HIS A 133 2.886 16.702 10.954 1.00 51.54 C ATOM 2176 NE2 HIS A 133 3.175 16.607 9.672 1.00 22.31 N ATOM 0 H HIS A 133 8.874 16.920 11.845 1.00 35.23 H new ATOM 0 HA HIS A 133 7.304 17.762 9.579 1.00 50.31 H new ATOM 0 HB2 HIS A 133 6.954 15.667 10.902 1.00 33.32 H new ATOM 0 HB3 HIS A 133 6.533 16.631 12.303 1.00 33.32 H new ATOM 0 HD2 HIS A 133 5.080 16.490 8.599 1.00 31.34 H new ATOM 0 HE1 HIS A 133 1.893 16.759 11.374 1.00 51.54 H new ATOM 0 HE2 HIS A 133 2.496 16.571 8.911 1.00 22.31 H new ATOM 2185 N HIS A 134 6.867 19.365 12.472 1.00 14.53 N ATOM 2186 CA HIS A 134 6.613 20.671 13.127 1.00 1.34 C ATOM 2187 C HIS A 134 7.406 20.679 14.444 1.00 42.22 C ATOM 2188 O HIS A 134 8.410 21.385 14.593 1.00 70.45 O ATOM 2189 CB HIS A 134 5.094 20.923 13.413 1.00 63.41 C ATOM 2190 CG HIS A 134 4.250 21.201 12.198 1.00 41.25 C ATOM 2191 ND1 HIS A 134 4.253 22.418 11.558 1.00 23.14 N ATOM 2192 CD2 HIS A 134 3.371 20.424 11.514 1.00 54.33 C ATOM 2193 CE1 HIS A 134 3.429 22.377 10.535 1.00 71.02 C ATOM 2194 NE2 HIS A 134 2.878 21.182 10.488 1.00 2.11 N ATOM 0 H HIS A 134 7.061 18.617 13.138 1.00 14.53 H new ATOM 0 HA HIS A 134 6.930 21.471 12.458 1.00 1.34 H new ATOM 0 HB2 HIS A 134 4.688 20.051 13.926 1.00 63.41 H new ATOM 0 HB3 HIS A 134 5.005 21.766 14.098 1.00 63.41 H new ATOM 0 HD2 HIS A 134 3.110 19.400 11.738 1.00 54.33 H new ATOM 0 HE1 HIS A 134 3.236 23.188 9.848 1.00 71.02 H new ATOM 0 HE2 HIS A 134 2.194 20.872 9.798 1.00 2.11 H new ATOM 2203 N HIS A 135 6.931 19.854 15.393 1.00 4.44 N ATOM 2204 CA HIS A 135 7.614 19.555 16.659 1.00 13.24 C ATOM 2205 C HIS A 135 7.730 18.029 16.717 1.00 41.00 C ATOM 2206 O HIS A 135 6.745 17.351 17.038 1.00 23.30 O ATOM 2207 CB HIS A 135 6.821 20.115 17.873 1.00 43.11 C ATOM 2208 CG HIS A 135 6.636 21.613 17.843 1.00 45.13 C ATOM 2209 ND1 HIS A 135 7.606 22.501 18.249 1.00 72.23 N ATOM 2210 CD2 HIS A 135 5.599 22.374 17.414 1.00 12.34 C ATOM 2211 CE1 HIS A 135 7.173 23.732 18.084 1.00 40.51 C ATOM 2212 NE2 HIS A 135 5.963 23.684 17.574 1.00 1.11 N ATOM 0 H HIS A 135 6.040 19.366 15.297 1.00 4.44 H new ATOM 0 HA HIS A 135 8.595 20.027 16.706 1.00 13.24 H new ATOM 0 HB2 HIS A 135 5.841 19.638 17.906 1.00 43.11 H new ATOM 0 HB3 HIS A 135 7.340 19.841 18.791 1.00 43.11 H new ATOM 0 HD2 HIS A 135 4.660 22.014 17.019 1.00 12.34 H new ATOM 0 HE1 HIS A 135 7.720 24.631 18.327 1.00 40.51 H new ATOM 0 HE2 HIS A 135 5.388 24.492 17.336 1.00 1.11 H new ATOM 2221 N HIS A 136 8.928 17.521 16.344 1.00 71.34 N ATOM 2222 CA HIS A 136 9.174 16.105 15.974 1.00 1.52 C ATOM 2223 C HIS A 136 8.485 15.804 14.608 1.00 20.11 C ATOM 2224 O HIS A 136 7.263 15.524 14.580 1.00 11.40 O ATOM 2225 CB HIS A 136 8.767 15.099 17.103 1.00 4.44 C ATOM 2226 CG HIS A 136 8.860 13.644 16.706 1.00 22.32 C ATOM 2227 ND1 HIS A 136 10.061 12.988 16.530 1.00 61.01 N ATOM 2228 CD2 HIS A 136 7.900 12.728 16.420 1.00 54.35 C ATOM 2229 CE1 HIS A 136 9.834 11.751 16.148 1.00 52.11 C ATOM 2230 NE2 HIS A 136 8.536 11.568 16.077 1.00 31.20 N ATOM 2231 OXT HIS A 136 9.164 15.902 13.565 1.00 38.13 O ATOM 0 H HIS A 136 9.769 18.095 16.290 1.00 71.34 H new ATOM 0 HA HIS A 136 10.248 15.958 15.857 1.00 1.52 H new ATOM 0 HB2 HIS A 136 9.405 15.268 17.970 1.00 4.44 H new ATOM 0 HB3 HIS A 136 7.744 15.314 17.413 1.00 4.44 H new ATOM 0 HD2 HIS A 136 6.832 12.886 16.457 1.00 54.35 H new ATOM 0 HE1 HIS A 136 10.588 11.010 15.929 1.00 52.11 H new ATOM 0 HE2 HIS A 136 8.075 10.698 15.809 1.00 31.20 H new TER 2240 HIS A 136