USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 728 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 41 SER OG : rot 101:sc= 0.738 USER MOD Set 1.2: A 92 TYR OH : rot 30:sc= 0.222 USER MOD Set 2.1: A 24 THR OG1 : rot -100:sc= 0.00455 USER MOD Set 2.2: A 83 HIS : no HD1:sc= -0.0812 K(o=-0.077,f=-0.78) USER MOD Set 3.1: A 6 ASN : amide:sc= -2.9 K(o=-4.4,f=-2.7) USER MOD Set 3.2: A 101 TYR OH : rot 30:sc= -1.47 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0174 K(o=-0.017,f=-1.5!) USER MOD Single : A 5 LYS NZ :NH3+ -104:sc= -1.04 (180deg=-1.38) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 12 ASN : amide:sc= -2.35! C(o=-2.4!,f=-2.7!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.229 K(o=-0.23,f=-2.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 60:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.306 K(o=-0.31,f=-2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.113 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= -0.84 (180deg=-0.905) USER MOD Single : A 55 THR OG1 : rot 180:sc= 1.26 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 34:sc= 0.0582 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -17.6! C(o=-18!,f=-17!) USER MOD Single : A 69 ASN : amide:sc= -0.241 K(o=-0.24,f=-1.8!) USER MOD Single : A 71 SER OG : rot 67:sc= -0.803 USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 38:sc= 0.798 USER MOD Single : A 75 SER OG : rot 42:sc= 0.907 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 130:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.187 K(o=-0.19,f=0.8) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -10.2! C(o=-10!,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.438 0.895 0.977 1.00 32.51 N ATOM 2 CA GLY A 1 2.337 0.518 -0.421 1.00 4.40 C ATOM 3 C GLY A 1 3.146 -0.722 -0.747 1.00 50.43 C ATOM 4 O GLY A 1 2.587 -1.764 -1.085 1.00 32.13 O ATOM 0 H1 GLY A 1 1.868 1.748 1.149 1.00 32.51 H new ATOM 0 H2 GLY A 1 2.087 0.118 1.572 1.00 32.51 H new ATOM 0 H3 GLY A 1 3.432 1.090 1.213 1.00 32.51 H new ATOM 0 HA2 GLY A 1 1.291 0.342 -0.672 1.00 4.40 H new ATOM 0 HA3 GLY A 1 2.679 1.345 -1.043 1.00 4.40 H new ATOM 8 N ASN A 2 4.466 -0.608 -0.648 1.00 65.11 N ATOM 9 CA ASN A 2 5.354 -1.729 -0.938 1.00 12.33 C ATOM 10 C ASN A 2 6.438 -1.854 0.128 1.00 0.44 C ATOM 11 O ASN A 2 6.458 -1.099 1.101 1.00 50.55 O ATOM 12 CB ASN A 2 5.995 -1.555 -2.316 1.00 25.33 C ATOM 13 CG ASN A 2 5.022 -1.831 -3.446 1.00 22.15 C ATOM 14 OD1 ASN A 2 4.081 -2.609 -3.292 1.00 74.35 O ATOM 15 ND2 ASN A 2 5.246 -1.193 -4.588 1.00 41.42 N ATOM 0 H ASN A 2 4.945 0.248 -0.369 1.00 65.11 H new ATOM 0 HA ASN A 2 4.759 -2.642 -0.934 1.00 12.33 H new ATOM 0 HB2 ASN A 2 6.378 -0.539 -2.410 1.00 25.33 H new ATOM 0 HB3 ASN A 2 6.849 -2.226 -2.404 1.00 25.33 H new ATOM 0 HD21 ASN A 2 4.625 -1.339 -5.384 1.00 41.42 H new ATOM 0 HD22 ASN A 2 6.039 -0.557 -4.670 1.00 41.42 H new ATOM 22 N VAL A 3 7.339 -2.812 -0.061 1.00 62.23 N ATOM 23 CA VAL A 3 8.428 -3.036 0.882 1.00 10.54 C ATOM 24 C VAL A 3 9.784 -2.864 0.207 1.00 21.54 C ATOM 25 O VAL A 3 10.194 -3.693 -0.607 1.00 31.35 O ATOM 26 CB VAL A 3 8.351 -4.442 1.506 1.00 52.13 C ATOM 27 CG1 VAL A 3 7.299 -4.483 2.603 1.00 14.34 C ATOM 28 CG2 VAL A 3 8.058 -5.483 0.436 1.00 54.01 C ATOM 0 H VAL A 3 7.336 -3.446 -0.860 1.00 62.23 H new ATOM 0 HA VAL A 3 8.321 -2.291 1.671 1.00 10.54 H new ATOM 0 HB VAL A 3 9.317 -4.675 1.954 1.00 52.13 H new ATOM 0 HG11 VAL A 3 7.259 -5.484 3.032 1.00 14.34 H new ATOM 0 HG12 VAL A 3 7.557 -3.765 3.381 1.00 14.34 H new ATOM 0 HG13 VAL A 3 6.326 -4.229 2.183 1.00 14.34 H new ATOM 0 HG21 VAL A 3 8.007 -6.471 0.894 1.00 54.01 H new ATOM 0 HG22 VAL A 3 7.105 -5.255 -0.042 1.00 54.01 H new ATOM 0 HG23 VAL A 3 8.851 -5.470 -0.311 1.00 54.01 H new ATOM 38 N LEU A 4 10.477 -1.785 0.551 1.00 44.55 N ATOM 39 CA LEU A 4 11.790 -1.504 -0.022 1.00 14.11 C ATOM 40 C LEU A 4 12.790 -1.129 1.067 1.00 32.20 C ATOM 41 O LEU A 4 12.417 -0.587 2.108 1.00 63.50 O ATOM 42 CB LEU A 4 11.689 -0.374 -1.049 1.00 30.45 C ATOM 43 CG LEU A 4 10.777 0.794 -0.673 1.00 41.34 C ATOM 44 CD1 LEU A 4 11.326 2.099 -1.230 1.00 15.24 C ATOM 45 CD2 LEU A 4 9.362 0.550 -1.178 1.00 3.21 C ATOM 0 H LEU A 4 10.153 -1.090 1.223 1.00 44.55 H new ATOM 0 HA LEU A 4 12.143 -2.408 -0.519 1.00 14.11 H new ATOM 0 HB2 LEU A 4 12.690 0.016 -1.230 1.00 30.45 H new ATOM 0 HB3 LEU A 4 11.337 -0.796 -1.990 1.00 30.45 H new ATOM 0 HG LEU A 4 10.745 0.871 0.414 1.00 41.34 H new ATOM 0 HD11 LEU A 4 10.664 2.920 -0.953 1.00 15.24 H new ATOM 0 HD12 LEU A 4 12.320 2.280 -0.820 1.00 15.24 H new ATOM 0 HD13 LEU A 4 11.388 2.034 -2.316 1.00 15.24 H new ATOM 0 HD21 LEU A 4 8.727 1.391 -0.901 1.00 3.21 H new ATOM 0 HD22 LEU A 4 9.376 0.447 -2.263 1.00 3.21 H new ATOM 0 HD23 LEU A 4 8.969 -0.363 -0.732 1.00 3.21 H new ATOM 57 N LYS A 5 14.063 -1.419 0.819 1.00 34.32 N ATOM 58 CA LYS A 5 15.119 -1.110 1.776 1.00 74.21 C ATOM 59 C LYS A 5 16.491 -1.185 1.114 1.00 10.54 C ATOM 60 O LYS A 5 17.365 -0.361 1.382 1.00 54.20 O ATOM 61 CB LYS A 5 15.059 -2.076 2.962 1.00 43.23 C ATOM 62 CG LYS A 5 15.659 -1.510 4.237 1.00 21.14 C ATOM 63 CD LYS A 5 14.804 -0.391 4.807 1.00 35.13 C ATOM 64 CE LYS A 5 15.590 0.470 5.783 1.00 4.40 C ATOM 65 NZ LYS A 5 16.334 -0.354 6.776 1.00 53.31 N ATOM 0 H LYS A 5 14.388 -1.868 -0.037 1.00 34.32 H new ATOM 0 HA LYS A 5 14.964 -0.093 2.136 1.00 74.21 H new ATOM 0 HB2 LYS A 5 14.019 -2.346 3.148 1.00 43.23 H new ATOM 0 HB3 LYS A 5 15.585 -2.994 2.699 1.00 43.23 H new ATOM 0 HG2 LYS A 5 15.760 -2.304 4.976 1.00 21.14 H new ATOM 0 HG3 LYS A 5 16.662 -1.135 4.033 1.00 21.14 H new ATOM 0 HD2 LYS A 5 14.427 0.230 3.994 1.00 35.13 H new ATOM 0 HD3 LYS A 5 13.937 -0.816 5.312 1.00 35.13 H new ATOM 0 HE2 LYS A 5 16.292 1.095 5.231 1.00 4.40 H new ATOM 0 HE3 LYS A 5 14.908 1.141 6.306 1.00 4.40 H new ATOM 0 HZ1 LYS A 5 15.841 -0.324 7.691 1.00 53.31 H new ATOM 0 HZ2 LYS A 5 16.385 -1.338 6.442 1.00 53.31 H new ATOM 0 HZ3 LYS A 5 17.296 0.024 6.889 1.00 53.31 H new ATOM 79 N ASN A 6 16.673 -2.176 0.248 1.00 34.44 N ATOM 80 CA ASN A 6 17.939 -2.357 -0.452 1.00 72.12 C ATOM 81 C ASN A 6 17.832 -1.887 -1.900 1.00 35.13 C ATOM 82 O ASN A 6 16.744 -1.857 -2.474 1.00 0.21 O ATOM 83 CB ASN A 6 18.363 -3.827 -0.411 1.00 50.44 C ATOM 84 CG ASN A 6 19.422 -4.152 -1.447 1.00 52.32 C ATOM 85 OD1 ASN A 6 19.181 -4.923 -2.376 1.00 41.22 O ATOM 86 ND2 ASN A 6 20.602 -3.563 -1.291 1.00 61.43 N ATOM 0 H ASN A 6 15.959 -2.866 0.014 1.00 34.44 H new ATOM 0 HA ASN A 6 18.694 -1.754 0.052 1.00 72.12 H new ATOM 0 HB2 ASN A 6 18.745 -4.065 0.582 1.00 50.44 H new ATOM 0 HB3 ASN A 6 17.490 -4.459 -0.577 1.00 50.44 H new ATOM 0 HD21 ASN A 6 21.354 -3.743 -1.957 1.00 61.43 H new ATOM 0 HD22 ASN A 6 20.757 -2.931 -0.506 1.00 61.43 H new ATOM 93 N ASN A 7 18.968 -1.522 -2.483 1.00 64.04 N ATOM 94 CA ASN A 7 19.003 -1.054 -3.864 1.00 54.41 C ATOM 95 C ASN A 7 18.753 0.450 -3.935 1.00 24.13 C ATOM 96 O ASN A 7 19.644 1.223 -4.290 1.00 21.24 O ATOM 97 CB ASN A 7 17.959 -1.795 -4.702 1.00 51.20 C ATOM 98 CG ASN A 7 18.382 -1.946 -6.151 1.00 14.04 C ATOM 99 OD1 ASN A 7 19.069 -1.086 -6.701 1.00 42.11 O ATOM 100 ND2 ASN A 7 17.971 -3.044 -6.775 1.00 52.51 N ATOM 0 H ASN A 7 19.877 -1.541 -2.021 1.00 64.04 H new ATOM 0 HA ASN A 7 19.995 -1.260 -4.266 1.00 54.41 H new ATOM 0 HB2 ASN A 7 17.786 -2.782 -4.272 1.00 51.20 H new ATOM 0 HB3 ASN A 7 17.012 -1.257 -4.657 1.00 51.20 H new ATOM 0 HD21 ASN A 7 18.224 -3.201 -7.751 1.00 52.51 H new ATOM 0 HD22 ASN A 7 17.403 -3.730 -6.279 1.00 52.51 H new ATOM 107 N THR A 8 17.535 0.859 -3.594 1.00 2.13 N ATOM 108 CA THR A 8 17.168 2.269 -3.619 1.00 13.23 C ATOM 109 C THR A 8 16.562 2.703 -2.289 1.00 5.34 C ATOM 110 O THR A 8 15.535 2.186 -1.848 1.00 44.43 O ATOM 111 CB THR A 8 16.164 2.568 -4.748 1.00 42.44 C ATOM 112 OG1 THR A 8 16.619 1.985 -5.975 1.00 0.43 O ATOM 113 CG2 THR A 8 15.985 4.068 -4.930 1.00 12.03 C ATOM 0 H THR A 8 16.786 0.233 -3.297 1.00 2.13 H new ATOM 0 HA THR A 8 18.085 2.831 -3.799 1.00 13.23 H new ATOM 0 HB THR A 8 15.203 2.134 -4.474 1.00 42.44 H new ATOM 0 HG1 THR A 8 15.975 2.178 -6.688 1.00 0.43 H new ATOM 0 HG21 THR A 8 15.272 4.255 -5.733 1.00 12.03 H new ATOM 0 HG22 THR A 8 15.612 4.505 -4.004 1.00 12.03 H new ATOM 0 HG23 THR A 8 16.943 4.521 -5.184 1.00 12.03 H new ATOM 121 N PRO A 9 17.211 3.676 -1.632 1.00 4.13 N ATOM 122 CA PRO A 9 16.754 4.202 -0.342 1.00 54.12 C ATOM 123 C PRO A 9 15.468 5.011 -0.470 1.00 13.51 C ATOM 124 O PRO A 9 15.188 5.590 -1.520 1.00 1.11 O ATOM 125 CB PRO A 9 17.909 5.101 0.105 1.00 42.05 C ATOM 126 CG PRO A 9 18.586 5.505 -1.160 1.00 32.32 C ATOM 127 CD PRO A 9 18.442 4.338 -2.097 1.00 74.14 C ATOM 0 HA PRO A 9 16.520 3.405 0.363 1.00 54.12 H new ATOM 0 HB2 PRO A 9 17.545 5.969 0.654 1.00 42.05 H new ATOM 0 HB3 PRO A 9 18.592 4.568 0.767 1.00 42.05 H new ATOM 0 HG2 PRO A 9 18.128 6.401 -1.579 1.00 32.32 H new ATOM 0 HG3 PRO A 9 19.636 5.737 -0.984 1.00 32.32 H new ATOM 0 HD2 PRO A 9 18.356 4.663 -3.134 1.00 74.14 H new ATOM 0 HD3 PRO A 9 19.302 3.671 -2.043 1.00 74.14 H new ATOM 135 N VAL A 10 14.688 5.049 0.606 1.00 31.40 N ATOM 136 CA VAL A 10 13.432 5.789 0.615 1.00 72.23 C ATOM 137 C VAL A 10 13.677 7.285 0.771 1.00 11.41 C ATOM 138 O VAL A 10 14.178 7.739 1.800 1.00 61.50 O ATOM 139 CB VAL A 10 12.506 5.310 1.749 1.00 50.13 C ATOM 140 CG1 VAL A 10 11.198 6.086 1.733 1.00 34.25 C ATOM 141 CG2 VAL A 10 12.250 3.815 1.632 1.00 43.11 C ATOM 0 H VAL A 10 14.904 4.575 1.483 1.00 31.40 H new ATOM 0 HA VAL A 10 12.947 5.601 -0.343 1.00 72.23 H new ATOM 0 HB VAL A 10 13.000 5.497 2.702 1.00 50.13 H new ATOM 0 HG11 VAL A 10 10.556 5.734 2.541 1.00 34.25 H new ATOM 0 HG12 VAL A 10 11.403 7.148 1.869 1.00 34.25 H new ATOM 0 HG13 VAL A 10 10.696 5.933 0.778 1.00 34.25 H new ATOM 0 HG21 VAL A 10 11.594 3.494 2.441 1.00 43.11 H new ATOM 0 HG22 VAL A 10 11.776 3.601 0.674 1.00 43.11 H new ATOM 0 HG23 VAL A 10 13.196 3.278 1.697 1.00 43.11 H new ATOM 151 N SER A 11 13.319 8.049 -0.257 1.00 25.42 N ATOM 152 CA SER A 11 13.504 9.495 -0.235 1.00 55.02 C ATOM 153 C SER A 11 12.368 10.176 0.523 1.00 72.14 C ATOM 154 O SER A 11 11.212 9.767 0.429 1.00 75.25 O ATOM 155 CB SER A 11 13.580 10.042 -1.662 1.00 32.00 C ATOM 156 OG SER A 11 13.916 9.019 -2.583 1.00 72.11 O ATOM 0 H SER A 11 12.899 7.690 -1.115 1.00 25.42 H new ATOM 0 HA SER A 11 14.441 9.709 0.279 1.00 55.02 H new ATOM 0 HB2 SER A 11 12.622 10.483 -1.937 1.00 32.00 H new ATOM 0 HB3 SER A 11 14.323 10.838 -1.711 1.00 32.00 H new ATOM 0 HG SER A 11 13.957 9.394 -3.488 1.00 72.11 H new ATOM 162 N ASN A 12 12.708 11.218 1.274 1.00 13.11 N ATOM 163 CA ASN A 12 11.718 11.957 2.049 1.00 35.34 C ATOM 164 C ASN A 12 10.851 11.007 2.871 1.00 24.13 C ATOM 165 O ASN A 12 9.728 10.681 2.484 1.00 1.55 O ATOM 166 CB ASN A 12 10.836 12.796 1.122 1.00 32.33 C ATOM 167 CG ASN A 12 10.868 14.271 1.473 1.00 74.21 C ATOM 168 OD1 ASN A 12 11.767 15.000 1.055 1.00 2.13 O ATOM 169 ND2 ASN A 12 9.883 14.717 2.244 1.00 31.11 N ATOM 0 H ASN A 12 13.661 11.570 1.363 1.00 13.11 H new ATOM 0 HA ASN A 12 12.249 12.620 2.732 1.00 35.34 H new ATOM 0 HB2 ASN A 12 11.167 12.663 0.092 1.00 32.33 H new ATOM 0 HB3 ASN A 12 9.809 12.434 1.176 1.00 32.33 H new ATOM 0 HD21 ASN A 12 9.851 15.700 2.513 1.00 31.11 H new ATOM 0 HD22 ASN A 12 9.158 14.076 2.567 1.00 31.11 H new ATOM 176 N LEU A 13 11.381 10.566 4.007 1.00 34.11 N ATOM 177 CA LEU A 13 10.656 9.654 4.885 1.00 21.43 C ATOM 178 C LEU A 13 9.486 10.362 5.561 1.00 43.03 C ATOM 179 O LEU A 13 9.117 11.474 5.182 1.00 55.01 O ATOM 180 CB LEU A 13 11.598 9.078 5.944 1.00 62.52 C ATOM 181 CG LEU A 13 11.817 7.565 5.896 1.00 72.11 C ATOM 182 CD1 LEU A 13 10.487 6.831 5.977 1.00 64.44 C ATOM 183 CD2 LEU A 13 12.568 7.174 4.631 1.00 10.34 C ATOM 0 H LEU A 13 12.309 10.825 4.341 1.00 34.11 H new ATOM 0 HA LEU A 13 10.261 8.841 4.276 1.00 21.43 H new ATOM 0 HB2 LEU A 13 12.566 9.568 5.845 1.00 62.52 H new ATOM 0 HB3 LEU A 13 11.208 9.337 6.928 1.00 62.52 H new ATOM 0 HG LEU A 13 12.421 7.277 6.756 1.00 72.11 H new ATOM 0 HD11 LEU A 13 10.662 5.756 5.941 1.00 64.44 H new ATOM 0 HD12 LEU A 13 9.987 7.087 6.911 1.00 64.44 H new ATOM 0 HD13 LEU A 13 9.858 7.124 5.137 1.00 64.44 H new ATOM 0 HD21 LEU A 13 12.715 6.094 4.614 1.00 10.34 H new ATOM 0 HD22 LEU A 13 11.990 7.475 3.757 1.00 10.34 H new ATOM 0 HD23 LEU A 13 13.537 7.672 4.615 1.00 10.34 H new ATOM 195 N THR A 14 8.908 9.712 6.566 1.00 75.45 N ATOM 196 CA THR A 14 7.781 10.279 7.295 1.00 55.01 C ATOM 197 C THR A 14 7.823 9.883 8.766 1.00 13.24 C ATOM 198 O THR A 14 8.134 8.742 9.104 1.00 75.34 O ATOM 199 CB THR A 14 6.437 9.828 6.692 1.00 52.00 C ATOM 200 OG1 THR A 14 6.498 8.441 6.341 1.00 42.23 O ATOM 201 CG2 THR A 14 6.092 10.653 5.462 1.00 54.34 C ATOM 0 H THR A 14 9.202 8.792 6.894 1.00 75.45 H new ATOM 0 HA THR A 14 7.863 11.363 7.210 1.00 55.01 H new ATOM 0 HB THR A 14 5.659 9.979 7.441 1.00 52.00 H new ATOM 0 HG1 THR A 14 5.639 8.162 5.960 1.00 42.23 H new ATOM 0 HG21 THR A 14 5.139 10.316 5.054 1.00 54.34 H new ATOM 0 HG22 THR A 14 6.017 11.705 5.739 1.00 54.34 H new ATOM 0 HG23 THR A 14 6.872 10.530 4.711 1.00 54.34 H new ATOM 209 N GLY A 15 7.507 10.835 9.640 1.00 72.31 N ATOM 210 CA GLY A 15 7.514 10.565 11.066 1.00 63.22 C ATOM 211 C GLY A 15 6.401 11.287 11.798 1.00 30.14 C ATOM 212 O GLY A 15 6.658 12.116 12.670 1.00 43.22 O ATOM 0 H GLY A 15 7.246 11.788 9.386 1.00 72.31 H new ATOM 0 HA2 GLY A 15 7.416 9.492 11.230 1.00 63.22 H new ATOM 0 HA3 GLY A 15 8.475 10.865 11.485 1.00 63.22 H new ATOM 216 N ASN A 16 5.160 10.972 11.443 1.00 55.30 N ATOM 217 CA ASN A 16 4.002 11.599 12.072 1.00 44.14 C ATOM 218 C ASN A 16 3.759 11.020 13.462 1.00 14.40 C ATOM 219 O ASN A 16 4.066 9.858 13.726 1.00 62.33 O ATOM 220 CB ASN A 16 2.758 11.409 11.202 1.00 31.52 C ATOM 221 CG ASN A 16 2.865 12.132 9.873 1.00 34.54 C ATOM 222 OD1 ASN A 16 3.961 12.342 9.355 1.00 62.42 O ATOM 223 ND2 ASN A 16 1.722 12.516 9.316 1.00 4.40 N ATOM 0 H ASN A 16 4.930 10.287 10.723 1.00 55.30 H new ATOM 0 HA ASN A 16 4.206 12.665 12.173 1.00 44.14 H new ATOM 0 HB2 ASN A 16 2.603 10.345 11.022 1.00 31.52 H new ATOM 0 HB3 ASN A 16 1.883 11.772 11.740 1.00 31.52 H new ATOM 0 HD21 ASN A 16 1.730 13.007 8.422 1.00 4.40 H new ATOM 0 HD22 ASN A 16 0.836 12.320 9.782 1.00 4.40 H new ATOM 230 N LYS A 17 3.203 11.839 14.349 1.00 43.43 N ATOM 231 CA LYS A 17 2.915 11.410 15.712 1.00 5.21 C ATOM 232 C LYS A 17 2.135 10.099 15.717 1.00 43.53 C ATOM 233 O LYS A 17 2.332 9.252 16.586 1.00 21.23 O ATOM 234 CB LYS A 17 2.123 12.490 16.452 1.00 1.32 C ATOM 235 CG LYS A 17 2.955 13.703 16.830 1.00 1.43 C ATOM 236 CD LYS A 17 2.671 14.882 15.914 1.00 11.03 C ATOM 237 CE LYS A 17 3.431 16.125 16.353 1.00 75.42 C ATOM 238 NZ LYS A 17 2.644 16.944 17.316 1.00 43.31 N ATOM 0 H LYS A 17 2.943 12.804 14.147 1.00 43.43 H new ATOM 0 HA LYS A 17 3.864 11.249 16.224 1.00 5.21 H new ATOM 0 HB2 LYS A 17 1.291 12.812 15.826 1.00 1.32 H new ATOM 0 HB3 LYS A 17 1.694 12.058 17.356 1.00 1.32 H new ATOM 0 HG2 LYS A 17 2.743 13.983 17.862 1.00 1.43 H new ATOM 0 HG3 LYS A 17 4.014 13.449 16.780 1.00 1.43 H new ATOM 0 HD2 LYS A 17 2.950 14.626 14.892 1.00 11.03 H new ATOM 0 HD3 LYS A 17 1.601 15.091 15.909 1.00 11.03 H new ATOM 0 HE2 LYS A 17 4.374 15.831 16.813 1.00 75.42 H new ATOM 0 HE3 LYS A 17 3.677 16.728 15.479 1.00 75.42 H new ATOM 0 HZ1 LYS A 17 3.196 17.782 17.591 1.00 43.31 H new ATOM 0 HZ2 LYS A 17 1.755 17.246 16.869 1.00 43.31 H new ATOM 0 HZ3 LYS A 17 2.431 16.377 18.161 1.00 43.31 H new ATOM 252 N GLY A 18 1.250 9.940 14.738 1.00 74.51 N ATOM 253 CA GLY A 18 0.455 8.729 14.648 1.00 74.25 C ATOM 254 C GLY A 18 0.854 7.859 13.472 1.00 42.30 C ATOM 255 O GLY A 18 1.307 6.729 13.653 1.00 41.12 O ATOM 0 H GLY A 18 1.069 10.627 14.006 1.00 74.51 H new ATOM 0 HA2 GLY A 18 0.562 8.159 15.571 1.00 74.25 H new ATOM 0 HA3 GLY A 18 -0.598 8.995 14.558 1.00 74.25 H new ATOM 259 N SER A 19 0.685 8.386 12.263 1.00 12.35 N ATOM 260 CA SER A 19 1.026 7.648 11.053 1.00 11.20 C ATOM 261 C SER A 19 2.450 7.106 11.131 1.00 73.52 C ATOM 262 O SER A 19 3.357 7.781 11.616 1.00 54.12 O ATOM 263 CB SER A 19 0.877 8.546 9.824 1.00 53.34 C ATOM 264 OG SER A 19 0.008 7.963 8.868 1.00 62.30 O ATOM 0 H SER A 19 0.314 9.321 12.096 1.00 12.35 H new ATOM 0 HA SER A 19 0.339 6.806 10.965 1.00 11.20 H new ATOM 0 HB2 SER A 19 0.490 9.519 10.126 1.00 53.34 H new ATOM 0 HB3 SER A 19 1.855 8.717 9.374 1.00 53.34 H new ATOM 0 HG SER A 19 -0.072 8.557 8.093 1.00 62.30 H new ATOM 270 N GLU A 20 2.637 5.881 10.649 1.00 33.30 N ATOM 271 CA GLU A 20 3.950 5.247 10.665 1.00 73.43 C ATOM 272 C GLU A 20 4.246 4.576 9.326 1.00 20.04 C ATOM 273 O GLU A 20 3.377 4.484 8.459 1.00 31.14 O ATOM 274 CB GLU A 20 4.029 4.216 11.793 1.00 64.12 C ATOM 275 CG GLU A 20 3.453 4.709 13.109 1.00 35.53 C ATOM 276 CD GLU A 20 2.116 4.071 13.436 1.00 62.42 C ATOM 277 OE1 GLU A 20 1.453 3.570 12.503 1.00 4.05 O ATOM 278 OE2 GLU A 20 1.734 4.072 14.625 1.00 55.03 O ATOM 0 H GLU A 20 1.897 5.309 10.243 1.00 33.30 H new ATOM 0 HA GLU A 20 4.698 6.021 10.837 1.00 73.43 H new ATOM 0 HB2 GLU A 20 3.497 3.315 11.488 1.00 64.12 H new ATOM 0 HB3 GLU A 20 5.071 3.935 11.945 1.00 64.12 H new ATOM 0 HG2 GLU A 20 4.159 4.497 13.912 1.00 35.53 H new ATOM 0 HG3 GLU A 20 3.334 5.792 13.066 1.00 35.53 H new ATOM 285 N VAL A 21 5.480 4.109 9.165 1.00 3.44 N ATOM 286 CA VAL A 21 5.893 3.447 7.934 1.00 75.22 C ATOM 287 C VAL A 21 6.808 2.263 8.226 1.00 13.14 C ATOM 288 O VAL A 21 7.714 2.355 9.055 1.00 50.13 O ATOM 289 CB VAL A 21 6.619 4.422 6.988 1.00 73.40 C ATOM 290 CG1 VAL A 21 5.673 4.922 5.907 1.00 35.31 C ATOM 291 CG2 VAL A 21 7.208 5.584 7.772 1.00 10.50 C ATOM 0 H VAL A 21 6.211 4.177 9.873 1.00 3.44 H new ATOM 0 HA VAL A 21 4.985 3.089 7.448 1.00 75.22 H new ATOM 0 HB VAL A 21 7.437 3.889 6.503 1.00 73.40 H new ATOM 0 HG11 VAL A 21 6.204 5.610 5.249 1.00 35.31 H new ATOM 0 HG12 VAL A 21 5.304 4.076 5.327 1.00 35.31 H new ATOM 0 HG13 VAL A 21 4.832 5.439 6.370 1.00 35.31 H new ATOM 0 HG21 VAL A 21 7.717 6.263 7.088 1.00 10.50 H new ATOM 0 HG22 VAL A 21 6.409 6.118 8.286 1.00 10.50 H new ATOM 0 HG23 VAL A 21 7.921 5.205 8.504 1.00 10.50 H new ATOM 301 N PHE A 22 6.565 1.151 7.541 1.00 41.04 N ATOM 302 CA PHE A 22 7.367 -0.052 7.727 1.00 63.41 C ATOM 303 C PHE A 22 7.702 -0.696 6.385 1.00 42.05 C ATOM 304 O PHE A 22 6.875 -0.724 5.473 1.00 34.14 O ATOM 305 CB PHE A 22 6.625 -1.054 8.614 1.00 13.31 C ATOM 306 CG PHE A 22 5.515 -1.775 7.905 1.00 74.13 C ATOM 307 CD1 PHE A 22 4.304 -1.145 7.664 1.00 62.53 C ATOM 308 CD2 PHE A 22 5.681 -3.083 7.479 1.00 25.22 C ATOM 309 CE1 PHE A 22 3.281 -1.806 7.011 1.00 73.32 C ATOM 310 CE2 PHE A 22 4.662 -3.749 6.825 1.00 11.15 C ATOM 311 CZ PHE A 22 3.460 -3.110 6.592 1.00 34.21 C ATOM 0 H PHE A 22 5.819 1.058 6.852 1.00 41.04 H new ATOM 0 HA PHE A 22 8.298 0.235 8.215 1.00 63.41 H new ATOM 0 HB2 PHE A 22 7.337 -1.786 8.996 1.00 13.31 H new ATOM 0 HB3 PHE A 22 6.214 -0.529 9.476 1.00 13.31 H new ATOM 0 HD1 PHE A 22 4.158 -0.126 7.990 1.00 62.53 H new ATOM 0 HD2 PHE A 22 6.618 -3.588 7.660 1.00 25.22 H new ATOM 0 HE1 PHE A 22 2.343 -1.304 6.828 1.00 73.32 H new ATOM 0 HE2 PHE A 22 4.805 -4.768 6.497 1.00 11.15 H new ATOM 0 HZ PHE A 22 2.661 -3.629 6.083 1.00 34.21 H new ATOM 321 N TYR A 23 8.921 -1.211 6.270 1.00 22.23 N ATOM 322 CA TYR A 23 9.368 -1.852 5.039 1.00 11.10 C ATOM 323 C TYR A 23 9.991 -3.214 5.329 1.00 73.23 C ATOM 324 O TYR A 23 10.319 -3.530 6.473 1.00 60.32 O ATOM 325 CB TYR A 23 10.377 -0.961 4.313 1.00 24.10 C ATOM 326 CG TYR A 23 9.984 0.499 4.282 1.00 64.41 C ATOM 327 CD1 TYR A 23 8.953 0.944 3.464 1.00 65.32 C ATOM 328 CD2 TYR A 23 10.644 1.433 5.072 1.00 72.44 C ATOM 329 CE1 TYR A 23 8.592 2.277 3.432 1.00 72.43 C ATOM 330 CE2 TYR A 23 10.288 2.767 5.047 1.00 12.31 C ATOM 331 CZ TYR A 23 9.262 3.184 4.225 1.00 13.32 C ATOM 332 OH TYR A 23 8.903 4.513 4.197 1.00 24.32 O ATOM 0 H TYR A 23 9.618 -1.197 7.015 1.00 22.23 H new ATOM 0 HA TYR A 23 8.498 -2.000 4.399 1.00 11.10 H new ATOM 0 HB2 TYR A 23 11.348 -1.057 4.798 1.00 24.10 H new ATOM 0 HB3 TYR A 23 10.495 -1.319 3.290 1.00 24.10 H new ATOM 0 HD1 TYR A 23 8.425 0.236 2.843 1.00 65.32 H new ATOM 0 HD2 TYR A 23 11.449 1.110 5.716 1.00 72.44 H new ATOM 0 HE1 TYR A 23 7.789 2.607 2.789 1.00 72.43 H new ATOM 0 HE2 TYR A 23 10.810 3.480 5.668 1.00 12.31 H new ATOM 0 HH TYR A 23 7.966 4.604 4.468 1.00 24.32 H new ATOM 342 N THR A 24 10.152 -4.019 4.282 1.00 15.45 N ATOM 343 CA THR A 24 10.734 -5.347 4.422 1.00 21.13 C ATOM 344 C THR A 24 11.650 -5.672 3.248 1.00 74.53 C ATOM 345 O THR A 24 11.332 -5.369 2.097 1.00 31.25 O ATOM 346 CB THR A 24 9.644 -6.431 4.524 1.00 1.33 C ATOM 347 OG1 THR A 24 8.635 -6.025 5.456 1.00 4.40 O ATOM 348 CG2 THR A 24 10.241 -7.759 4.963 1.00 62.42 C ATOM 0 H THR A 24 9.887 -3.773 3.328 1.00 15.45 H new ATOM 0 HA THR A 24 11.317 -5.341 5.343 1.00 21.13 H new ATOM 0 HB THR A 24 9.197 -6.560 3.538 1.00 1.33 H new ATOM 0 HG1 THR A 24 8.786 -6.470 6.316 1.00 4.40 H new ATOM 0 HG21 THR A 24 9.452 -8.509 5.028 1.00 62.42 H new ATOM 0 HG22 THR A 24 10.988 -8.080 4.237 1.00 62.42 H new ATOM 0 HG23 THR A 24 10.711 -7.642 5.939 1.00 62.42 H new ATOM 356 N PHE A 25 12.787 -6.292 3.544 1.00 22.10 N ATOM 357 CA PHE A 25 13.750 -6.659 2.512 1.00 54.44 C ATOM 358 C PHE A 25 14.681 -7.762 3.004 1.00 62.44 C ATOM 359 O PHE A 25 14.822 -7.982 4.207 1.00 34.52 O ATOM 360 CB PHE A 25 14.567 -5.436 2.090 1.00 63.14 C ATOM 361 CG PHE A 25 14.646 -5.252 0.601 1.00 62.40 C ATOM 362 CD1 PHE A 25 15.521 -6.012 -0.159 1.00 4.14 C ATOM 363 CD2 PHE A 25 13.846 -4.320 -0.039 1.00 15.13 C ATOM 364 CE1 PHE A 25 15.596 -5.846 -1.529 1.00 3.32 C ATOM 365 CE2 PHE A 25 13.916 -4.150 -1.408 1.00 53.44 C ATOM 366 CZ PHE A 25 14.793 -4.912 -2.154 1.00 60.52 C ATOM 0 H PHE A 25 13.065 -6.551 4.491 1.00 22.10 H new ATOM 0 HA PHE A 25 13.197 -7.033 1.650 1.00 54.44 H new ATOM 0 HB2 PHE A 25 14.127 -4.544 2.535 1.00 63.14 H new ATOM 0 HB3 PHE A 25 15.577 -5.528 2.491 1.00 63.14 H new ATOM 0 HD1 PHE A 25 16.152 -6.743 0.325 1.00 4.14 H new ATOM 0 HD2 PHE A 25 13.159 -3.719 0.539 1.00 15.13 H new ATOM 0 HE1 PHE A 25 16.281 -6.446 -2.110 1.00 3.32 H new ATOM 0 HE2 PHE A 25 13.285 -3.421 -1.895 1.00 53.44 H new ATOM 0 HZ PHE A 25 14.851 -4.778 -3.224 1.00 60.52 H new ATOM 376 N THR A 26 15.316 -8.455 2.063 1.00 24.45 N ATOM 377 CA THR A 26 16.233 -9.537 2.400 1.00 61.45 C ATOM 378 C THR A 26 17.591 -9.333 1.738 1.00 3.34 C ATOM 379 O THR A 26 17.760 -8.441 0.907 1.00 41.13 O ATOM 380 CB THR A 26 15.668 -10.905 1.973 1.00 60.43 C ATOM 381 OG1 THR A 26 15.764 -11.053 0.552 1.00 73.14 O ATOM 382 CG2 THR A 26 14.217 -11.051 2.406 1.00 1.31 C ATOM 0 H THR A 26 15.212 -8.286 1.062 1.00 24.45 H new ATOM 0 HA THR A 26 16.354 -9.523 3.483 1.00 61.45 H new ATOM 0 HB THR A 26 16.256 -11.683 2.460 1.00 60.43 H new ATOM 0 HG1 THR A 26 15.404 -11.926 0.289 1.00 73.14 H new ATOM 0 HG21 THR A 26 13.840 -12.025 2.093 1.00 1.31 H new ATOM 0 HG22 THR A 26 14.151 -10.968 3.491 1.00 1.31 H new ATOM 0 HG23 THR A 26 13.619 -10.265 1.945 1.00 1.31 H new ATOM 390 N VAL A 27 18.558 -10.165 2.113 1.00 40.32 N ATOM 391 CA VAL A 27 19.902 -10.076 1.554 1.00 11.14 C ATOM 392 C VAL A 27 20.183 -11.239 0.610 1.00 75.22 C ATOM 393 O VAL A 27 19.772 -12.372 0.864 1.00 54.51 O ATOM 394 CB VAL A 27 20.971 -10.060 2.663 1.00 34.24 C ATOM 395 CG1 VAL A 27 22.329 -9.683 2.091 1.00 34.23 C ATOM 396 CG2 VAL A 27 20.568 -9.105 3.777 1.00 23.10 C ATOM 0 H VAL A 27 18.436 -10.908 2.801 1.00 40.32 H new ATOM 0 HA VAL A 27 19.952 -9.140 0.998 1.00 11.14 H new ATOM 0 HB VAL A 27 21.047 -11.062 3.085 1.00 34.24 H new ATOM 0 HG11 VAL A 27 23.071 -9.677 2.889 1.00 34.23 H new ATOM 0 HG12 VAL A 27 22.619 -10.410 1.332 1.00 34.23 H new ATOM 0 HG13 VAL A 27 22.272 -8.692 1.641 1.00 34.23 H new ATOM 0 HG21 VAL A 27 21.334 -9.106 4.552 1.00 23.10 H new ATOM 0 HG22 VAL A 27 20.462 -8.098 3.373 1.00 23.10 H new ATOM 0 HG23 VAL A 27 19.618 -9.426 4.205 1.00 23.10 H new ATOM 406 N ASP A 28 20.885 -10.952 -0.480 1.00 62.34 N ATOM 407 CA ASP A 28 21.223 -11.975 -1.464 1.00 32.25 C ATOM 408 C ASP A 28 22.582 -12.596 -1.157 1.00 44.52 C ATOM 409 O ASP A 28 22.756 -13.811 -1.248 1.00 34.03 O ATOM 410 CB ASP A 28 21.226 -11.378 -2.872 1.00 24.04 C ATOM 411 CG ASP A 28 19.827 -11.172 -3.417 1.00 12.14 C ATOM 412 OD1 ASP A 28 18.889 -11.028 -2.605 1.00 13.34 O ATOM 413 OD2 ASP A 28 19.670 -11.154 -4.655 1.00 54.11 O ATOM 0 H ASP A 28 21.232 -10.019 -0.705 1.00 62.34 H new ATOM 0 HA ASP A 28 20.466 -12.758 -1.412 1.00 32.25 H new ATOM 0 HB2 ASP A 28 21.751 -10.423 -2.857 1.00 24.04 H new ATOM 0 HB3 ASP A 28 21.780 -12.036 -3.541 1.00 24.04 H new ATOM 418 N ARG A 29 23.544 -11.752 -0.796 1.00 31.34 N ATOM 419 CA ARG A 29 24.889 -12.218 -0.478 1.00 53.43 C ATOM 420 C ARG A 29 25.381 -11.606 0.830 1.00 31.32 C ATOM 421 O ARG A 29 25.020 -10.482 1.176 1.00 63.03 O ATOM 422 CB ARG A 29 25.854 -11.867 -1.612 1.00 54.34 C ATOM 423 CG ARG A 29 27.239 -12.468 -1.441 1.00 72.45 C ATOM 424 CD ARG A 29 27.184 -13.987 -1.390 1.00 60.22 C ATOM 425 NE ARG A 29 28.392 -14.597 -1.938 1.00 63.44 N ATOM 426 CZ ARG A 29 28.519 -15.900 -2.168 1.00 54.55 C ATOM 427 NH1 ARG A 29 27.516 -16.724 -1.900 1.00 14.13 N ATOM 428 NH2 ARG A 29 29.650 -16.379 -2.669 1.00 71.41 N ATOM 0 H ARG A 29 23.417 -10.743 -0.717 1.00 31.34 H new ATOM 0 HA ARG A 29 24.854 -13.301 -0.362 1.00 53.43 H new ATOM 0 HB2 ARG A 29 25.432 -12.211 -2.556 1.00 54.34 H new ATOM 0 HB3 ARG A 29 25.943 -10.783 -1.679 1.00 54.34 H new ATOM 0 HG2 ARG A 29 27.878 -12.153 -2.266 1.00 72.45 H new ATOM 0 HG3 ARG A 29 27.691 -12.088 -0.525 1.00 72.45 H new ATOM 0 HD2 ARG A 29 27.051 -14.310 -0.358 1.00 60.22 H new ATOM 0 HD3 ARG A 29 26.316 -14.337 -1.948 1.00 60.22 H new ATOM 0 HE ARG A 29 29.182 -13.990 -2.156 1.00 63.44 H new ATOM 0 HH11 ARG A 29 26.644 -16.359 -1.516 1.00 14.13 H new ATOM 0 HH12 ARG A 29 27.616 -17.723 -2.077 1.00 14.13 H new ATOM 0 HH21 ARG A 29 30.423 -15.747 -2.878 1.00 71.41 H new ATOM 0 HH22 ARG A 29 29.747 -17.379 -2.845 1.00 71.41 H new ATOM 442 N ASN A 30 26.206 -12.356 1.554 1.00 44.42 N ATOM 443 CA ASN A 30 26.747 -11.888 2.825 1.00 43.11 C ATOM 444 C ASN A 30 27.805 -10.811 2.603 1.00 61.22 C ATOM 445 O ASN A 30 28.867 -11.077 2.041 1.00 4.22 O ATOM 446 CB ASN A 30 27.349 -13.057 3.608 1.00 45.54 C ATOM 447 CG ASN A 30 28.373 -13.829 2.797 1.00 11.45 C ATOM 448 OD1 ASN A 30 28.020 -14.644 1.945 1.00 14.32 O ATOM 449 ND2 ASN A 30 29.649 -13.575 3.061 1.00 45.30 N ATOM 0 H ASN A 30 26.514 -13.290 1.282 1.00 44.42 H new ATOM 0 HA ASN A 30 25.930 -11.455 3.402 1.00 43.11 H new ATOM 0 HB2 ASN A 30 27.819 -12.679 4.516 1.00 45.54 H new ATOM 0 HB3 ASN A 30 26.551 -13.732 3.919 1.00 45.54 H new ATOM 0 HD21 ASN A 30 30.383 -14.064 2.549 1.00 45.30 H new ATOM 0 HD22 ASN A 30 29.895 -12.891 3.776 1.00 45.30 H new ATOM 456 N ALA A 31 27.506 -9.595 3.048 1.00 24.21 N ATOM 457 CA ALA A 31 28.432 -8.479 2.901 1.00 40.13 C ATOM 458 C ALA A 31 28.364 -7.546 4.105 1.00 32.32 C ATOM 459 O ALA A 31 27.286 -7.283 4.640 1.00 23.23 O ATOM 460 CB ALA A 31 28.135 -7.713 1.620 1.00 1.31 C ATOM 0 H ALA A 31 26.630 -9.358 3.513 1.00 24.21 H new ATOM 0 HA ALA A 31 29.443 -8.883 2.845 1.00 40.13 H new ATOM 0 HB1 ALA A 31 28.834 -6.882 1.523 1.00 1.31 H new ATOM 0 HB2 ALA A 31 28.242 -8.380 0.764 1.00 1.31 H new ATOM 0 HB3 ALA A 31 27.116 -7.328 1.654 1.00 1.31 H new ATOM 466 N THR A 32 29.522 -7.049 4.529 1.00 54.40 N ATOM 467 CA THR A 32 29.593 -6.147 5.672 1.00 44.13 C ATOM 468 C THR A 32 29.682 -4.694 5.220 1.00 10.54 C ATOM 469 O THR A 32 30.718 -4.249 4.727 1.00 21.02 O ATOM 470 CB THR A 32 30.805 -6.469 6.567 1.00 71.54 C ATOM 471 OG1 THR A 32 30.963 -5.453 7.563 1.00 53.24 O ATOM 472 CG2 THR A 32 32.076 -6.577 5.738 1.00 2.22 C ATOM 0 H THR A 32 30.423 -7.256 4.098 1.00 54.40 H new ATOM 0 HA THR A 32 28.678 -6.291 6.246 1.00 44.13 H new ATOM 0 HB THR A 32 30.625 -7.428 7.053 1.00 71.54 H new ATOM 0 HG1 THR A 32 31.735 -5.666 8.128 1.00 53.24 H new ATOM 0 HG21 THR A 32 32.918 -6.805 6.391 1.00 2.22 H new ATOM 0 HG22 THR A 32 31.963 -7.372 5.001 1.00 2.22 H new ATOM 0 HG23 THR A 32 32.259 -5.632 5.227 1.00 2.22 H new ATOM 480 N ALA A 33 28.589 -3.957 5.393 1.00 20.42 N ATOM 481 CA ALA A 33 28.545 -2.553 5.006 1.00 11.11 C ATOM 482 C ALA A 33 27.882 -1.706 6.087 1.00 2.03 C ATOM 483 O ALA A 33 26.989 -2.172 6.795 1.00 70.03 O ATOM 484 CB ALA A 33 27.810 -2.393 3.683 1.00 1.13 C ATOM 0 H ALA A 33 27.722 -4.310 5.799 1.00 20.42 H new ATOM 0 HA ALA A 33 29.570 -2.203 4.885 1.00 11.11 H new ATOM 0 HB1 ALA A 33 27.785 -1.339 3.406 1.00 1.13 H new ATOM 0 HB2 ALA A 33 28.327 -2.959 2.909 1.00 1.13 H new ATOM 0 HB3 ALA A 33 26.791 -2.766 3.786 1.00 1.13 H new ATOM 490 N VAL A 34 28.326 -0.459 6.211 1.00 60.03 N ATOM 491 CA VAL A 34 27.776 0.453 7.206 1.00 54.41 C ATOM 492 C VAL A 34 26.893 1.511 6.553 1.00 34.10 C ATOM 493 O VAL A 34 27.379 2.384 5.834 1.00 70.42 O ATOM 494 CB VAL A 34 28.892 1.153 8.004 1.00 53.53 C ATOM 495 CG1 VAL A 34 29.970 1.676 7.067 1.00 4.02 C ATOM 496 CG2 VAL A 34 28.316 2.280 8.848 1.00 31.04 C ATOM 0 H VAL A 34 29.065 -0.058 5.634 1.00 60.03 H new ATOM 0 HA VAL A 34 27.174 -0.148 7.888 1.00 54.41 H new ATOM 0 HB VAL A 34 29.348 0.424 8.674 1.00 53.53 H new ATOM 0 HG11 VAL A 34 30.750 2.167 7.648 1.00 4.02 H new ATOM 0 HG12 VAL A 34 30.402 0.845 6.509 1.00 4.02 H new ATOM 0 HG13 VAL A 34 29.531 2.391 6.371 1.00 4.02 H new ATOM 0 HG21 VAL A 34 29.118 2.764 9.405 1.00 31.04 H new ATOM 0 HG22 VAL A 34 27.833 3.011 8.199 1.00 31.04 H new ATOM 0 HG23 VAL A 34 27.583 1.874 9.545 1.00 31.04 H new ATOM 506 N VAL A 35 25.591 1.427 6.809 1.00 52.30 N ATOM 507 CA VAL A 35 24.639 2.378 6.248 1.00 53.24 C ATOM 508 C VAL A 35 23.763 2.987 7.337 1.00 2.20 C ATOM 509 O VAL A 35 23.333 2.296 8.261 1.00 44.52 O ATOM 510 CB VAL A 35 23.737 1.712 5.192 1.00 54.12 C ATOM 511 CG1 VAL A 35 22.766 2.725 4.604 1.00 74.54 C ATOM 512 CG2 VAL A 35 24.579 1.072 4.099 1.00 43.11 C ATOM 0 H VAL A 35 25.172 0.710 7.401 1.00 52.30 H new ATOM 0 HA VAL A 35 25.222 3.166 5.772 1.00 53.24 H new ATOM 0 HB VAL A 35 23.157 0.928 5.678 1.00 54.12 H new ATOM 0 HG11 VAL A 35 22.137 2.237 3.860 1.00 74.54 H new ATOM 0 HG12 VAL A 35 22.140 3.132 5.398 1.00 74.54 H new ATOM 0 HG13 VAL A 35 23.325 3.533 4.132 1.00 74.54 H new ATOM 0 HG21 VAL A 35 23.925 0.606 3.362 1.00 43.11 H new ATOM 0 HG22 VAL A 35 25.187 1.836 3.614 1.00 43.11 H new ATOM 0 HG23 VAL A 35 25.229 0.315 4.537 1.00 43.11 H new ATOM 522 N SER A 36 23.502 4.285 7.222 1.00 40.41 N ATOM 523 CA SER A 36 22.680 4.989 8.199 1.00 12.31 C ATOM 524 C SER A 36 21.659 5.885 7.505 1.00 53.51 C ATOM 525 O SER A 36 21.758 6.144 6.305 1.00 74.30 O ATOM 526 CB SER A 36 23.560 5.826 9.130 1.00 61.32 C ATOM 527 OG SER A 36 24.909 5.820 8.697 1.00 44.11 O ATOM 0 H SER A 36 23.848 4.871 6.462 1.00 40.41 H new ATOM 0 HA SER A 36 22.144 4.245 8.789 1.00 12.31 H new ATOM 0 HB2 SER A 36 23.190 6.851 9.162 1.00 61.32 H new ATOM 0 HB3 SER A 36 23.499 5.433 10.145 1.00 61.32 H new ATOM 0 HG SER A 36 25.451 6.363 9.307 1.00 44.11 H new ATOM 533 N ILE A 37 20.678 6.356 8.268 1.00 5.34 N ATOM 534 CA ILE A 37 19.640 7.224 7.728 1.00 54.30 C ATOM 535 C ILE A 37 19.766 8.641 8.278 1.00 33.12 C ATOM 536 O ILE A 37 20.093 8.836 9.449 1.00 54.43 O ATOM 537 CB ILE A 37 18.233 6.685 8.047 1.00 31.14 C ATOM 538 CG1 ILE A 37 17.716 7.288 9.355 1.00 3.21 C ATOM 539 CG2 ILE A 37 18.254 5.166 8.131 1.00 64.14 C ATOM 540 CD1 ILE A 37 18.421 6.759 10.585 1.00 42.25 C ATOM 0 H ILE A 37 20.581 6.151 9.262 1.00 5.34 H new ATOM 0 HA ILE A 37 19.777 7.243 6.647 1.00 54.30 H new ATOM 0 HB ILE A 37 17.558 6.976 7.242 1.00 31.14 H new ATOM 0 HG12 ILE A 37 17.832 8.371 9.317 1.00 3.21 H new ATOM 0 HG13 ILE A 37 16.649 7.085 9.442 1.00 3.21 H new ATOM 0 HG21 ILE A 37 17.252 4.800 8.357 1.00 64.14 H new ATOM 0 HG22 ILE A 37 18.584 4.753 7.178 1.00 64.14 H new ATOM 0 HG23 ILE A 37 18.940 4.855 8.918 1.00 64.14 H new ATOM 0 HD11 ILE A 37 18.003 7.230 11.475 1.00 42.25 H new ATOM 0 HD12 ILE A 37 18.283 5.680 10.647 1.00 42.25 H new ATOM 0 HD13 ILE A 37 19.485 6.986 10.520 1.00 42.25 H new ATOM 552 N SER A 38 19.502 9.626 7.426 1.00 3.41 N ATOM 553 CA SER A 38 19.588 11.026 7.826 1.00 10.10 C ATOM 554 C SER A 38 19.264 11.947 6.653 1.00 24.04 C ATOM 555 O SER A 38 19.342 11.544 5.494 1.00 43.45 O ATOM 556 CB SER A 38 20.985 11.340 8.365 1.00 31.22 C ATOM 557 OG SER A 38 21.318 12.701 8.157 1.00 41.32 O ATOM 0 H SER A 38 19.227 9.481 6.455 1.00 3.41 H new ATOM 0 HA SER A 38 18.855 11.199 8.614 1.00 10.10 H new ATOM 0 HB2 SER A 38 21.027 11.111 9.430 1.00 31.22 H new ATOM 0 HB3 SER A 38 21.720 10.703 7.872 1.00 31.22 H new ATOM 0 HG SER A 38 22.215 12.876 8.512 1.00 41.32 H new ATOM 563 N GLY A 39 18.900 13.187 6.966 1.00 45.23 N ATOM 564 CA GLY A 39 18.570 14.147 5.928 1.00 21.24 C ATOM 565 C GLY A 39 18.236 15.515 6.489 1.00 31.22 C ATOM 566 O GLY A 39 18.498 16.535 5.853 1.00 34.14 O ATOM 0 H GLY A 39 18.828 13.544 7.919 1.00 45.23 H new ATOM 0 HA2 GLY A 39 19.410 14.235 5.239 1.00 21.24 H new ATOM 0 HA3 GLY A 39 17.722 13.777 5.351 1.00 21.24 H new ATOM 570 N GLY A 40 17.654 15.537 7.684 1.00 33.25 N ATOM 571 CA GLY A 40 17.291 16.795 8.310 1.00 50.12 C ATOM 572 C GLY A 40 17.430 16.754 9.819 1.00 71.03 C ATOM 573 O GLY A 40 18.441 17.191 10.368 1.00 51.50 O ATOM 0 H GLY A 40 17.427 14.706 8.230 1.00 33.25 H new ATOM 0 HA2 GLY A 40 17.921 17.590 7.912 1.00 50.12 H new ATOM 0 HA3 GLY A 40 16.262 17.043 8.050 1.00 50.12 H new ATOM 577 N SER A 41 16.411 16.228 10.491 1.00 11.31 N ATOM 578 CA SER A 41 16.421 16.137 11.946 1.00 23.24 C ATOM 579 C SER A 41 16.070 14.725 12.405 1.00 73.35 C ATOM 580 O SER A 41 15.488 13.943 11.653 1.00 24.13 O ATOM 581 CB SER A 41 15.436 17.141 12.549 1.00 64.43 C ATOM 582 OG SER A 41 15.537 18.401 11.908 1.00 75.40 O ATOM 0 H SER A 41 15.568 15.858 10.051 1.00 11.31 H new ATOM 0 HA SER A 41 17.427 16.374 12.292 1.00 23.24 H new ATOM 0 HB2 SER A 41 14.419 16.761 12.452 1.00 64.43 H new ATOM 0 HB3 SER A 41 15.634 17.255 13.615 1.00 64.43 H new ATOM 0 HG SER A 41 14.806 18.499 11.263 1.00 75.40 H new ATOM 588 N GLY A 42 16.428 14.405 13.645 1.00 53.04 N ATOM 589 CA GLY A 42 16.143 13.088 14.183 1.00 74.22 C ATOM 590 C GLY A 42 14.699 12.941 14.621 1.00 21.43 C ATOM 591 O GLY A 42 14.351 13.268 15.756 1.00 44.31 O ATOM 0 H GLY A 42 16.910 15.035 14.286 1.00 53.04 H new ATOM 0 HA2 GLY A 42 16.369 12.334 13.429 1.00 74.22 H new ATOM 0 HA3 GLY A 42 16.799 12.896 15.032 1.00 74.22 H new ATOM 595 N ASP A 43 13.856 12.448 13.720 1.00 2.04 N ATOM 596 CA ASP A 43 12.442 12.259 14.020 1.00 74.31 C ATOM 597 C ASP A 43 12.006 10.831 13.704 1.00 14.40 C ATOM 598 O ASP A 43 11.162 10.262 14.396 1.00 41.10 O ATOM 599 CB ASP A 43 11.593 13.252 13.225 1.00 13.23 C ATOM 600 CG ASP A 43 11.363 12.804 11.796 1.00 72.55 C ATOM 601 OD1 ASP A 43 12.282 12.970 10.967 1.00 53.52 O ATOM 602 OD2 ASP A 43 10.264 12.286 11.505 1.00 13.11 O ATOM 0 H ASP A 43 14.128 12.172 12.776 1.00 2.04 H new ATOM 0 HA ASP A 43 12.295 12.438 15.085 1.00 74.31 H new ATOM 0 HB2 ASP A 43 10.631 13.382 13.721 1.00 13.23 H new ATOM 0 HB3 ASP A 43 12.084 14.225 13.223 1.00 13.23 H new ATOM 607 N ALA A 44 12.586 10.260 12.654 1.00 74.42 N ATOM 608 CA ALA A 44 12.258 8.899 12.247 1.00 74.12 C ATOM 609 C ALA A 44 13.206 7.891 12.887 1.00 33.23 C ATOM 610 O ALA A 44 14.402 7.876 12.595 1.00 14.40 O ATOM 611 CB ALA A 44 12.300 8.777 10.731 1.00 71.22 C ATOM 0 H ALA A 44 13.285 10.718 12.070 1.00 74.42 H new ATOM 0 HA ALA A 44 11.248 8.677 12.591 1.00 74.12 H new ATOM 0 HB1 ALA A 44 12.053 7.756 10.441 1.00 71.22 H new ATOM 0 HB2 ALA A 44 11.577 9.464 10.291 1.00 71.22 H new ATOM 0 HB3 ALA A 44 13.300 9.024 10.374 1.00 71.22 H new ATOM 617 N ASP A 45 12.665 7.050 13.762 1.00 53.01 N ATOM 618 CA ASP A 45 13.463 6.038 14.444 1.00 72.22 C ATOM 619 C ASP A 45 13.794 4.883 13.504 1.00 60.21 C ATOM 620 O ASP A 45 13.204 4.753 12.431 1.00 75.23 O ATOM 621 CB ASP A 45 12.719 5.514 15.673 1.00 33.12 C ATOM 622 CG ASP A 45 12.009 6.617 16.434 1.00 61.41 C ATOM 623 OD1 ASP A 45 10.889 6.992 16.028 1.00 43.53 O ATOM 624 OD2 ASP A 45 12.573 7.103 17.436 1.00 40.20 O ATOM 0 H ASP A 45 11.677 7.049 14.016 1.00 53.01 H new ATOM 0 HA ASP A 45 14.396 6.502 14.764 1.00 72.22 H new ATOM 0 HB2 ASP A 45 11.991 4.765 15.361 1.00 33.12 H new ATOM 0 HB3 ASP A 45 13.425 5.015 16.337 1.00 33.12 H new ATOM 629 N LEU A 46 14.742 4.047 13.913 1.00 1.20 N ATOM 630 CA LEU A 46 15.153 2.903 13.107 1.00 24.21 C ATOM 631 C LEU A 46 15.015 1.604 13.895 1.00 41.10 C ATOM 632 O LEU A 46 15.225 1.577 15.108 1.00 64.52 O ATOM 633 CB LEU A 46 16.599 3.077 12.639 1.00 41.14 C ATOM 634 CG LEU A 46 17.264 1.838 12.037 1.00 55.43 C ATOM 635 CD1 LEU A 46 18.236 2.235 10.937 1.00 54.53 C ATOM 636 CD2 LEU A 46 17.976 1.037 13.117 1.00 52.32 C ATOM 0 H LEU A 46 15.240 4.140 14.798 1.00 1.20 H new ATOM 0 HA LEU A 46 14.499 2.850 12.236 1.00 24.21 H new ATOM 0 HB2 LEU A 46 16.626 3.876 11.898 1.00 41.14 H new ATOM 0 HB3 LEU A 46 17.197 3.409 13.488 1.00 41.14 H new ATOM 0 HG LEU A 46 16.488 1.210 11.599 1.00 55.43 H new ATOM 0 HD11 LEU A 46 18.699 1.341 10.521 1.00 54.53 H new ATOM 0 HD12 LEU A 46 17.699 2.765 10.151 1.00 54.53 H new ATOM 0 HD13 LEU A 46 19.008 2.884 11.350 1.00 54.53 H new ATOM 0 HD21 LEU A 46 18.443 0.159 12.671 1.00 52.32 H new ATOM 0 HD22 LEU A 46 18.741 1.657 13.585 1.00 52.32 H new ATOM 0 HD23 LEU A 46 17.255 0.720 13.870 1.00 52.32 H new ATOM 648 N TYR A 47 14.663 0.530 13.198 1.00 75.04 N ATOM 649 CA TYR A 47 14.496 -0.772 13.832 1.00 62.32 C ATOM 650 C TYR A 47 14.755 -1.900 12.837 1.00 54.31 C ATOM 651 O TYR A 47 14.502 -1.757 11.640 1.00 63.54 O ATOM 652 CB TYR A 47 13.088 -0.903 14.414 1.00 73.53 C ATOM 653 CG TYR A 47 12.860 -0.055 15.644 1.00 34.23 C ATOM 654 CD1 TYR A 47 13.260 -0.496 16.900 1.00 74.32 C ATOM 655 CD2 TYR A 47 12.243 1.187 15.552 1.00 23.51 C ATOM 656 CE1 TYR A 47 13.053 0.275 18.027 1.00 33.13 C ATOM 657 CE2 TYR A 47 12.034 1.965 16.674 1.00 53.02 C ATOM 658 CZ TYR A 47 12.440 1.505 17.909 1.00 31.10 C ATOM 659 OH TYR A 47 12.232 2.277 19.029 1.00 34.20 O ATOM 0 H TYR A 47 14.488 0.535 12.193 1.00 75.04 H new ATOM 0 HA TYR A 47 15.224 -0.850 14.640 1.00 62.32 H new ATOM 0 HB2 TYR A 47 12.361 -0.624 13.651 1.00 73.53 H new ATOM 0 HB3 TYR A 47 12.903 -1.948 14.664 1.00 73.53 H new ATOM 0 HD1 TYR A 47 13.741 -1.458 16.996 1.00 74.32 H new ATOM 0 HD2 TYR A 47 11.922 1.550 14.587 1.00 23.51 H new ATOM 0 HE1 TYR A 47 13.369 -0.083 18.995 1.00 33.13 H new ATOM 0 HE2 TYR A 47 11.555 2.929 16.585 1.00 53.02 H new ATOM 0 HH TYR A 47 11.790 3.113 18.772 1.00 34.20 H new ATOM 669 N LEU A 48 15.259 -3.021 13.341 1.00 12.41 N ATOM 670 CA LEU A 48 15.552 -4.175 12.498 1.00 15.23 C ATOM 671 C LEU A 48 15.465 -5.470 13.299 1.00 15.13 C ATOM 672 O LEU A 48 15.895 -5.531 14.451 1.00 12.43 O ATOM 673 CB LEU A 48 16.943 -4.038 11.878 1.00 71.14 C ATOM 674 CG LEU A 48 17.105 -4.598 10.464 1.00 42.20 C ATOM 675 CD1 LEU A 48 18.398 -4.099 9.838 1.00 62.24 C ATOM 676 CD2 LEU A 48 17.073 -6.119 10.486 1.00 71.03 C ATOM 0 H LEU A 48 15.473 -3.155 14.329 1.00 12.41 H new ATOM 0 HA LEU A 48 14.808 -4.211 11.702 1.00 15.23 H new ATOM 0 HB2 LEU A 48 17.209 -2.981 11.862 1.00 71.14 H new ATOM 0 HB3 LEU A 48 17.660 -4.537 12.530 1.00 71.14 H new ATOM 0 HG LEU A 48 16.271 -4.246 9.856 1.00 42.20 H new ATOM 0 HD11 LEU A 48 18.497 -4.507 8.832 1.00 62.24 H new ATOM 0 HD12 LEU A 48 18.381 -3.010 9.787 1.00 62.24 H new ATOM 0 HD13 LEU A 48 19.244 -4.421 10.445 1.00 62.24 H new ATOM 0 HD21 LEU A 48 17.190 -6.500 9.471 1.00 71.03 H new ATOM 0 HD22 LEU A 48 17.886 -6.491 11.109 1.00 71.03 H new ATOM 0 HD23 LEU A 48 16.120 -6.457 10.893 1.00 71.03 H new ATOM 688 N LYS A 49 14.907 -6.505 12.681 1.00 32.41 N ATOM 689 CA LYS A 49 14.766 -7.802 13.334 1.00 51.41 C ATOM 690 C LYS A 49 14.876 -8.936 12.320 1.00 31.12 C ATOM 691 O LYS A 49 14.214 -8.920 11.283 1.00 71.41 O ATOM 692 CB LYS A 49 13.424 -7.885 14.064 1.00 12.35 C ATOM 693 CG LYS A 49 13.547 -8.317 15.515 1.00 12.44 C ATOM 694 CD LYS A 49 12.209 -8.763 16.080 1.00 75.33 C ATOM 695 CE LYS A 49 12.214 -8.755 17.601 1.00 41.34 C ATOM 696 NZ LYS A 49 13.173 -9.749 18.157 1.00 2.44 N ATOM 0 H LYS A 49 14.545 -6.471 11.728 1.00 32.41 H new ATOM 0 HA LYS A 49 15.574 -7.906 14.058 1.00 51.41 H new ATOM 0 HB2 LYS A 49 12.937 -6.911 14.024 1.00 12.35 H new ATOM 0 HB3 LYS A 49 12.777 -8.587 13.538 1.00 12.35 H new ATOM 0 HG2 LYS A 49 14.266 -9.133 15.593 1.00 12.44 H new ATOM 0 HG3 LYS A 49 13.937 -7.491 16.110 1.00 12.44 H new ATOM 0 HD2 LYS A 49 11.421 -8.104 15.715 1.00 75.33 H new ATOM 0 HD3 LYS A 49 11.978 -9.766 15.721 1.00 75.33 H new ATOM 0 HE2 LYS A 49 12.475 -7.759 17.958 1.00 41.34 H new ATOM 0 HE3 LYS A 49 11.211 -8.973 17.969 1.00 41.34 H new ATOM 0 HZ1 LYS A 49 13.147 -9.713 19.196 1.00 2.44 H new ATOM 0 HZ2 LYS A 49 12.909 -10.703 17.837 1.00 2.44 H new ATOM 0 HZ3 LYS A 49 14.134 -9.527 17.827 1.00 2.44 H new ATOM 710 N ALA A 50 15.715 -9.920 12.628 1.00 1.52 N ATOM 711 CA ALA A 50 15.908 -11.063 11.746 1.00 65.34 C ATOM 712 C ALA A 50 14.832 -12.120 11.972 1.00 41.51 C ATOM 713 O ALA A 50 15.019 -13.053 12.751 1.00 71.22 O ATOM 714 CB ALA A 50 17.291 -11.663 11.954 1.00 2.01 C ATOM 0 H ALA A 50 16.272 -9.948 13.482 1.00 1.52 H new ATOM 0 HA ALA A 50 15.826 -10.713 10.717 1.00 65.34 H new ATOM 0 HB1 ALA A 50 17.421 -12.516 11.288 1.00 2.01 H new ATOM 0 HB2 ALA A 50 18.050 -10.912 11.734 1.00 2.01 H new ATOM 0 HB3 ALA A 50 17.394 -11.991 12.988 1.00 2.01 H new ATOM 720 N GLY A 51 13.704 -11.965 11.286 1.00 53.33 N ATOM 721 CA GLY A 51 12.614 -12.912 11.427 1.00 73.32 C ATOM 722 C GLY A 51 11.259 -12.234 11.475 1.00 32.51 C ATOM 723 O GLY A 51 10.591 -12.093 10.451 1.00 72.42 O ATOM 0 H GLY A 51 13.526 -11.200 10.635 1.00 53.33 H new ATOM 0 HA2 GLY A 51 12.636 -13.614 10.593 1.00 73.32 H new ATOM 0 HA3 GLY A 51 12.758 -13.494 12.337 1.00 73.32 H new ATOM 727 N SER A 52 10.851 -11.815 12.669 1.00 72.14 N ATOM 728 CA SER A 52 9.564 -11.153 12.847 1.00 33.34 C ATOM 729 C SER A 52 9.743 -9.644 12.977 1.00 15.33 C ATOM 730 O SER A 52 10.610 -9.170 13.712 1.00 54.11 O ATOM 731 CB SER A 52 8.852 -11.702 14.085 1.00 33.32 C ATOM 732 OG SER A 52 9.136 -13.078 14.269 1.00 71.44 O ATOM 0 H SER A 52 11.393 -11.922 13.527 1.00 72.14 H new ATOM 0 HA SER A 52 8.954 -11.354 11.966 1.00 33.34 H new ATOM 0 HB2 SER A 52 9.165 -11.142 14.966 1.00 33.32 H new ATOM 0 HB3 SER A 52 7.776 -11.560 13.982 1.00 33.32 H new ATOM 0 HG SER A 52 8.671 -13.404 15.067 1.00 71.44 H new ATOM 738 N LYS A 53 8.916 -8.892 12.258 1.00 34.42 N ATOM 739 CA LYS A 53 8.979 -7.436 12.292 1.00 62.11 C ATOM 740 C LYS A 53 9.169 -6.933 13.719 1.00 5.22 C ATOM 741 O LYS A 53 8.431 -7.296 14.635 1.00 61.41 O ATOM 742 CB LYS A 53 7.705 -6.835 11.694 1.00 61.54 C ATOM 743 CG LYS A 53 7.918 -5.478 11.047 1.00 2.30 C ATOM 744 CD LYS A 53 7.474 -4.349 11.962 1.00 40.44 C ATOM 745 CE LYS A 53 6.024 -3.965 11.710 1.00 51.13 C ATOM 746 NZ LYS A 53 5.152 -5.162 11.559 1.00 34.40 N ATOM 0 H LYS A 53 8.193 -9.268 11.644 1.00 34.42 H new ATOM 0 HA LYS A 53 9.836 -7.121 11.697 1.00 62.11 H new ATOM 0 HB2 LYS A 53 7.303 -7.523 10.951 1.00 61.54 H new ATOM 0 HB3 LYS A 53 6.955 -6.740 12.479 1.00 61.54 H new ATOM 0 HG2 LYS A 53 8.972 -5.353 10.799 1.00 2.30 H new ATOM 0 HG3 LYS A 53 7.362 -5.429 10.111 1.00 2.30 H new ATOM 0 HD2 LYS A 53 7.596 -4.653 13.002 1.00 40.44 H new ATOM 0 HD3 LYS A 53 8.114 -3.480 11.807 1.00 40.44 H new ATOM 0 HE2 LYS A 53 5.661 -3.353 12.536 1.00 51.13 H new ATOM 0 HE3 LYS A 53 5.961 -3.354 10.810 1.00 51.13 H new ATOM 0 HZ1 LYS A 53 4.162 -4.860 11.456 1.00 34.40 H new ATOM 0 HZ2 LYS A 53 5.440 -5.697 10.715 1.00 34.40 H new ATOM 0 HZ3 LYS A 53 5.244 -5.767 12.400 1.00 34.40 H new ATOM 760 N PRO A 54 10.182 -6.075 13.915 1.00 12.01 N ATOM 761 CA PRO A 54 10.491 -5.502 15.228 1.00 11.15 C ATOM 762 C PRO A 54 9.431 -4.509 15.692 1.00 55.12 C ATOM 763 O PRO A 54 8.879 -3.754 14.890 1.00 33.13 O ATOM 764 CB PRO A 54 11.827 -4.790 14.999 1.00 15.04 C ATOM 765 CG PRO A 54 11.844 -4.477 13.543 1.00 12.41 C ATOM 766 CD PRO A 54 11.102 -5.598 12.869 1.00 3.04 C ATOM 0 HA PRO A 54 10.526 -6.264 16.007 1.00 11.15 H new ATOM 0 HB2 PRO A 54 11.901 -3.883 15.600 1.00 15.04 H new ATOM 0 HB3 PRO A 54 12.667 -5.426 15.277 1.00 15.04 H new ATOM 0 HG2 PRO A 54 11.366 -3.518 13.345 1.00 12.41 H new ATOM 0 HG3 PRO A 54 12.866 -4.407 13.171 1.00 12.41 H new ATOM 0 HD2 PRO A 54 10.563 -5.250 11.988 1.00 3.04 H new ATOM 0 HD3 PRO A 54 11.778 -6.386 12.539 1.00 3.04 H new ATOM 774 N THR A 55 9.149 -4.514 16.991 1.00 3.52 N ATOM 775 CA THR A 55 8.155 -3.614 17.561 1.00 15.21 C ATOM 776 C THR A 55 8.812 -2.546 18.429 1.00 75.33 C ATOM 777 O THR A 55 10.033 -2.525 18.588 1.00 35.33 O ATOM 778 CB THR A 55 7.121 -4.382 18.407 1.00 41.14 C ATOM 779 OG1 THR A 55 7.558 -4.453 19.768 1.00 10.04 O ATOM 780 CG2 THR A 55 6.913 -5.787 17.862 1.00 53.35 C ATOM 0 H THR A 55 9.596 -5.132 17.668 1.00 3.52 H new ATOM 0 HA THR A 55 7.646 -3.135 16.724 1.00 15.21 H new ATOM 0 HB THR A 55 6.173 -3.846 18.358 1.00 41.14 H new ATOM 0 HG1 THR A 55 6.895 -4.941 20.299 1.00 10.04 H new ATOM 0 HG21 THR A 55 6.179 -6.310 18.475 1.00 53.35 H new ATOM 0 HG22 THR A 55 6.553 -5.729 16.835 1.00 53.35 H new ATOM 0 HG23 THR A 55 7.858 -6.330 17.885 1.00 53.35 H new ATOM 788 N THR A 56 7.994 -1.660 18.989 1.00 22.01 N ATOM 789 CA THR A 56 8.496 -0.589 19.841 1.00 62.04 C ATOM 790 C THR A 56 9.214 -1.149 21.063 1.00 65.21 C ATOM 791 O THR A 56 9.962 -0.439 21.735 1.00 65.13 O ATOM 792 CB THR A 56 7.358 0.337 20.308 1.00 52.40 C ATOM 793 OG1 THR A 56 6.448 -0.387 21.143 1.00 22.34 O ATOM 794 CG2 THR A 56 6.609 0.917 19.118 1.00 52.43 C ATOM 0 H THR A 56 6.981 -1.663 18.868 1.00 22.01 H new ATOM 0 HA THR A 56 9.201 -0.013 19.242 1.00 62.04 H new ATOM 0 HB THR A 56 7.798 1.157 20.876 1.00 52.40 H new ATOM 0 HG1 THR A 56 5.728 0.210 21.437 1.00 22.34 H new ATOM 0 HG21 THR A 56 5.810 1.568 19.473 1.00 52.43 H new ATOM 0 HG22 THR A 56 7.298 1.493 18.500 1.00 52.43 H new ATOM 0 HG23 THR A 56 6.182 0.107 18.527 1.00 52.43 H new ATOM 802 N SER A 57 8.983 -2.427 21.345 1.00 31.25 N ATOM 803 CA SER A 57 9.606 -3.082 22.490 1.00 61.13 C ATOM 804 C SER A 57 10.511 -4.223 22.036 1.00 65.22 C ATOM 805 O SER A 57 11.460 -4.590 22.729 1.00 64.45 O ATOM 806 CB SER A 57 8.536 -3.614 23.445 1.00 71.12 C ATOM 807 OG SER A 57 9.124 -4.269 24.556 1.00 52.04 O ATOM 0 H SER A 57 8.369 -3.030 20.797 1.00 31.25 H new ATOM 0 HA SER A 57 10.214 -2.344 23.013 1.00 61.13 H new ATOM 0 HB2 SER A 57 7.912 -2.790 23.793 1.00 71.12 H new ATOM 0 HB3 SER A 57 7.883 -4.307 22.915 1.00 71.12 H new ATOM 0 HG SER A 57 8.419 -4.599 25.152 1.00 52.04 H new ATOM 813 N SER A 58 10.210 -4.780 20.867 1.00 4.00 N ATOM 814 CA SER A 58 10.994 -5.882 20.321 1.00 72.00 C ATOM 815 C SER A 58 11.932 -5.390 19.223 1.00 3.14 C ATOM 816 O SER A 58 11.498 -4.770 18.252 1.00 22.05 O ATOM 817 CB SER A 58 10.069 -6.968 19.768 1.00 60.01 C ATOM 818 OG SER A 58 10.275 -8.201 20.434 1.00 22.54 O ATOM 0 H SER A 58 9.429 -4.486 20.280 1.00 4.00 H new ATOM 0 HA SER A 58 11.595 -6.302 21.127 1.00 72.00 H new ATOM 0 HB2 SER A 58 9.030 -6.658 19.883 1.00 60.01 H new ATOM 0 HB3 SER A 58 10.248 -7.094 18.700 1.00 60.01 H new ATOM 0 HG SER A 58 9.671 -8.878 20.063 1.00 22.54 H new ATOM 824 N TRP A 59 13.220 -5.671 19.386 1.00 41.35 N ATOM 825 CA TRP A 59 14.221 -5.257 18.409 1.00 43.21 C ATOM 826 C TRP A 59 15.420 -6.199 18.425 1.00 32.13 C ATOM 827 O TRP A 59 15.715 -6.825 19.444 1.00 41.04 O ATOM 828 CB TRP A 59 14.679 -3.825 18.692 1.00 14.01 C ATOM 829 CG TRP A 59 14.351 -3.360 20.079 1.00 61.21 C ATOM 830 CD1 TRP A 59 13.257 -2.640 20.465 1.00 73.21 C ATOM 831 CD2 TRP A 59 15.126 -3.582 21.262 1.00 12.23 C ATOM 832 NE1 TRP A 59 13.304 -2.401 21.817 1.00 4.11 N ATOM 833 CE2 TRP A 59 14.441 -2.969 22.330 1.00 54.14 C ATOM 834 CE3 TRP A 59 16.330 -4.240 21.525 1.00 62.13 C ATOM 835 CZ2 TRP A 59 14.922 -2.995 23.636 1.00 42.13 C ATOM 836 CZ3 TRP A 59 16.807 -4.265 22.822 1.00 51.25 C ATOM 837 CH2 TRP A 59 16.104 -3.646 23.864 1.00 72.31 C ATOM 0 H TRP A 59 13.595 -6.183 20.184 1.00 41.35 H new ATOM 0 HA TRP A 59 13.764 -5.296 17.420 1.00 43.21 H new ATOM 0 HB2 TRP A 59 15.756 -3.759 18.539 1.00 14.01 H new ATOM 0 HB3 TRP A 59 14.213 -3.153 17.971 1.00 14.01 H new ATOM 0 HD1 TRP A 59 12.470 -2.307 19.804 1.00 73.21 H new ATOM 0 HE1 TRP A 59 12.606 -1.885 22.352 1.00 4.11 H new ATOM 0 HE3 TRP A 59 16.879 -4.721 20.729 1.00 62.13 H new ATOM 0 HZ2 TRP A 59 14.382 -2.518 24.441 1.00 42.13 H new ATOM 0 HZ3 TRP A 59 17.737 -4.770 23.036 1.00 51.25 H new ATOM 0 HH2 TRP A 59 16.503 -3.683 24.867 1.00 72.31 H new ATOM 848 N ASP A 60 16.107 -6.295 17.292 1.00 33.34 N ATOM 849 CA ASP A 60 17.275 -7.161 17.178 1.00 53.14 C ATOM 850 C ASP A 60 18.541 -6.339 16.958 1.00 51.20 C ATOM 851 O ASP A 60 19.551 -6.545 17.632 1.00 42.15 O ATOM 852 CB ASP A 60 17.090 -8.153 16.028 1.00 0.30 C ATOM 853 CG ASP A 60 18.041 -9.330 16.121 1.00 74.12 C ATOM 854 OD1 ASP A 60 17.803 -10.219 16.965 1.00 2.55 O ATOM 855 OD2 ASP A 60 19.022 -9.363 15.349 1.00 4.34 O ATOM 0 H ASP A 60 15.876 -5.784 16.440 1.00 33.34 H new ATOM 0 HA ASP A 60 17.380 -7.714 18.112 1.00 53.14 H new ATOM 0 HB2 ASP A 60 16.063 -8.518 16.029 1.00 0.30 H new ATOM 0 HB3 ASP A 60 17.245 -7.639 15.080 1.00 0.30 H new ATOM 860 N CYS A 61 18.479 -5.409 16.012 1.00 42.51 N ATOM 861 CA CYS A 61 19.622 -4.556 15.702 1.00 73.21 C ATOM 862 C CYS A 61 19.254 -3.083 15.841 1.00 3.54 C ATOM 863 O CYS A 61 18.326 -2.600 15.192 1.00 2.24 O ATOM 864 CB CYS A 61 20.124 -4.837 14.285 1.00 25.12 C ATOM 865 SG CYS A 61 20.576 -6.563 13.991 1.00 60.02 S ATOM 0 H CYS A 61 17.650 -5.226 15.446 1.00 42.51 H new ATOM 0 HA CYS A 61 20.417 -4.782 16.413 1.00 73.21 H new ATOM 0 HB2 CYS A 61 19.350 -4.549 13.573 1.00 25.12 H new ATOM 0 HB3 CYS A 61 20.991 -4.207 14.086 1.00 25.12 H new ATOM 0 HG CYS A 61 19.794 -7.340 14.680 1.00 60.02 H new ATOM 871 N ARG A 62 19.987 -2.373 16.693 1.00 24.44 N ATOM 872 CA ARG A 62 19.737 -0.955 16.920 1.00 32.24 C ATOM 873 C ARG A 62 20.742 -0.378 17.913 1.00 54.41 C ATOM 874 O ARG A 62 21.064 -0.987 18.933 1.00 1.11 O ATOM 875 CB ARG A 62 18.313 -0.744 17.438 1.00 0.42 C ATOM 876 CG ARG A 62 18.168 -0.975 18.933 1.00 20.34 C ATOM 877 CD ARG A 62 16.736 -1.326 19.307 1.00 41.34 C ATOM 878 NE ARG A 62 16.232 -0.487 20.391 1.00 23.42 N ATOM 879 CZ ARG A 62 16.683 -0.551 21.639 1.00 34.43 C ATOM 880 NH1 ARG A 62 17.641 -1.410 21.958 1.00 4.45 N ATOM 881 NH2 ARG A 62 16.174 0.245 22.571 1.00 31.30 N ATOM 0 H ARG A 62 20.759 -2.757 17.238 1.00 24.44 H new ATOM 0 HA ARG A 62 19.852 -0.434 15.969 1.00 32.24 H new ATOM 0 HB2 ARG A 62 17.997 0.273 17.204 1.00 0.42 H new ATOM 0 HB3 ARG A 62 17.639 -1.417 16.908 1.00 0.42 H new ATOM 0 HG2 ARG A 62 18.834 -1.780 19.244 1.00 20.34 H new ATOM 0 HG3 ARG A 62 18.477 -0.079 19.472 1.00 20.34 H new ATOM 0 HD2 ARG A 62 16.095 -1.213 18.433 1.00 41.34 H new ATOM 0 HD3 ARG A 62 16.686 -2.373 19.606 1.00 41.34 H new ATOM 0 HE ARG A 62 15.494 0.184 20.178 1.00 23.42 H new ATOM 0 HH11 ARG A 62 18.034 -2.024 21.244 1.00 4.45 H new ATOM 0 HH12 ARG A 62 17.985 -1.457 22.917 1.00 4.45 H new ATOM 0 HH21 ARG A 62 15.436 0.906 22.329 1.00 31.30 H new ATOM 0 HH22 ARG A 62 16.521 0.195 23.529 1.00 31.30 H new ATOM 895 N PRO A 63 21.249 0.826 17.609 1.00 65.15 N ATOM 896 CA PRO A 63 22.225 1.512 18.461 1.00 51.10 C ATOM 897 C PRO A 63 21.612 1.993 19.772 1.00 50.54 C ATOM 898 O PRO A 63 22.306 2.544 20.627 1.00 35.33 O ATOM 899 CB PRO A 63 22.666 2.704 17.607 1.00 34.23 C ATOM 900 CG PRO A 63 21.521 2.955 16.688 1.00 14.40 C ATOM 901 CD PRO A 63 20.910 1.610 16.409 1.00 62.20 C ATOM 0 HA PRO A 63 23.044 0.855 18.754 1.00 51.10 H new ATOM 0 HB2 PRO A 63 22.877 3.577 18.225 1.00 34.23 H new ATOM 0 HB3 PRO A 63 23.577 2.478 17.052 1.00 34.23 H new ATOM 0 HG2 PRO A 63 20.794 3.626 17.145 1.00 14.40 H new ATOM 0 HG3 PRO A 63 21.858 3.429 15.766 1.00 14.40 H new ATOM 0 HD2 PRO A 63 19.832 1.680 16.266 1.00 62.20 H new ATOM 0 HD3 PRO A 63 21.323 1.161 15.506 1.00 62.20 H new ATOM 909 N TYR A 64 20.309 1.783 19.923 1.00 62.34 N ATOM 910 CA TYR A 64 19.603 2.197 21.129 1.00 54.12 C ATOM 911 C TYR A 64 19.417 3.711 21.158 1.00 14.12 C ATOM 912 O TYR A 64 20.099 4.417 21.900 1.00 3.24 O ATOM 913 CB TYR A 64 20.365 1.742 22.374 1.00 64.51 C ATOM 914 CG TYR A 64 19.481 1.530 23.582 1.00 3.21 C ATOM 915 CD1 TYR A 64 18.640 2.538 24.036 1.00 12.43 C ATOM 916 CD2 TYR A 64 19.488 0.323 24.270 1.00 11.11 C ATOM 917 CE1 TYR A 64 17.831 2.350 25.140 1.00 14.22 C ATOM 918 CE2 TYR A 64 18.681 0.126 25.374 1.00 62.42 C ATOM 919 CZ TYR A 64 17.855 1.142 25.805 1.00 15.12 C ATOM 920 OH TYR A 64 17.050 0.950 26.905 1.00 24.32 O ATOM 0 H TYR A 64 19.720 1.328 19.225 1.00 62.34 H new ATOM 0 HA TYR A 64 18.619 1.728 21.122 1.00 54.12 H new ATOM 0 HB2 TYR A 64 20.888 0.812 22.150 1.00 64.51 H new ATOM 0 HB3 TYR A 64 21.125 2.485 22.616 1.00 64.51 H new ATOM 0 HD1 TYR A 64 18.618 3.485 23.517 1.00 12.43 H new ATOM 0 HD2 TYR A 64 20.135 -0.475 23.936 1.00 11.11 H new ATOM 0 HE1 TYR A 64 17.183 3.145 25.480 1.00 14.22 H new ATOM 0 HE2 TYR A 64 18.697 -0.819 25.897 1.00 62.42 H new ATOM 0 HH TYR A 64 17.186 0.045 27.256 1.00 24.32 H new ATOM 930 N ARG A 65 18.487 4.202 20.346 1.00 52.35 N ATOM 931 CA ARG A 65 18.210 5.632 20.277 1.00 41.01 C ATOM 932 C ARG A 65 16.867 5.894 19.602 1.00 51.01 C ATOM 933 O ARG A 65 16.089 4.969 19.364 1.00 2.53 O ATOM 934 CB ARG A 65 19.324 6.353 19.516 1.00 25.12 C ATOM 935 CG ARG A 65 19.907 7.538 20.268 1.00 4.05 C ATOM 936 CD ARG A 65 21.127 8.104 19.557 1.00 14.15 C ATOM 937 NE ARG A 65 20.765 8.819 18.337 1.00 42.35 N ATOM 938 CZ ARG A 65 20.222 10.032 18.328 1.00 22.53 C ATOM 939 NH1 ARG A 65 19.980 10.661 19.470 1.00 74.41 N ATOM 940 NH2 ARG A 65 19.921 10.617 17.176 1.00 1.23 N ATOM 0 H ARG A 65 17.912 3.631 19.726 1.00 52.35 H new ATOM 0 HA ARG A 65 18.167 6.017 21.296 1.00 41.01 H new ATOM 0 HB2 ARG A 65 20.122 5.643 19.299 1.00 25.12 H new ATOM 0 HB3 ARG A 65 18.934 6.698 18.558 1.00 25.12 H new ATOM 0 HG2 ARG A 65 19.149 8.315 20.368 1.00 4.05 H new ATOM 0 HG3 ARG A 65 20.183 7.230 21.277 1.00 4.05 H new ATOM 0 HD2 ARG A 65 21.658 8.779 20.229 1.00 14.15 H new ATOM 0 HD3 ARG A 65 21.813 7.293 19.312 1.00 14.15 H new ATOM 0 HE ARG A 65 20.938 8.362 17.442 1.00 42.35 H new ATOM 0 HH11 ARG A 65 20.211 10.214 20.357 1.00 74.41 H new ATOM 0 HH12 ARG A 65 19.563 11.592 19.461 1.00 74.41 H new ATOM 0 HH21 ARG A 65 20.106 10.136 16.296 1.00 1.23 H new ATOM 0 HH22 ARG A 65 19.504 11.548 17.170 1.00 1.23 H new ATOM 954 N TYR A 66 16.601 7.159 19.296 1.00 2.13 N ATOM 955 CA TYR A 66 15.351 7.543 18.652 1.00 42.34 C ATOM 956 C TYR A 66 15.592 8.610 17.587 1.00 23.44 C ATOM 957 O TYR A 66 16.614 9.294 17.599 1.00 43.42 O ATOM 958 CB TYR A 66 14.355 8.060 19.691 1.00 52.22 C ATOM 959 CG TYR A 66 13.711 6.964 20.510 1.00 52.34 C ATOM 960 CD1 TYR A 66 14.437 6.267 21.467 1.00 11.55 C ATOM 961 CD2 TYR A 66 12.376 6.627 20.326 1.00 75.51 C ATOM 962 CE1 TYR A 66 13.853 5.265 22.217 1.00 14.12 C ATOM 963 CE2 TYR A 66 11.783 5.626 21.072 1.00 15.52 C ATOM 964 CZ TYR A 66 12.525 4.948 22.016 1.00 3.41 C ATOM 965 OH TYR A 66 11.939 3.951 22.762 1.00 43.51 O ATOM 0 H TYR A 66 17.235 7.936 19.484 1.00 2.13 H new ATOM 0 HA TYR A 66 14.935 6.659 18.168 1.00 42.34 H new ATOM 0 HB2 TYR A 66 14.867 8.750 20.362 1.00 52.22 H new ATOM 0 HB3 TYR A 66 13.576 8.629 19.184 1.00 52.22 H new ATOM 0 HD1 TYR A 66 15.476 6.513 21.628 1.00 11.55 H new ATOM 0 HD2 TYR A 66 11.792 7.156 19.588 1.00 75.51 H new ATOM 0 HE1 TYR A 66 14.432 4.733 22.957 1.00 14.12 H new ATOM 0 HE2 TYR A 66 10.744 5.376 20.916 1.00 15.52 H new ATOM 0 HH TYR A 66 11.000 3.854 22.498 1.00 43.51 H new ATOM 975 N GLY A 67 14.641 8.744 16.668 1.00 45.43 N ATOM 976 CA GLY A 67 14.768 9.729 15.609 1.00 33.10 C ATOM 977 C GLY A 67 15.796 9.332 14.568 1.00 13.21 C ATOM 978 O GLY A 67 16.595 8.424 14.790 1.00 20.12 O ATOM 0 H GLY A 67 13.786 8.189 16.637 1.00 45.43 H new ATOM 0 HA2 GLY A 67 13.800 9.865 15.126 1.00 33.10 H new ATOM 0 HA3 GLY A 67 15.046 10.690 16.042 1.00 33.10 H new ATOM 982 N ASN A 68 15.774 10.014 13.427 1.00 2.24 N ATOM 983 CA ASN A 68 16.710 9.726 12.347 1.00 44.21 C ATOM 984 C ASN A 68 18.152 9.838 12.832 1.00 4.24 C ATOM 985 O ASN A 68 18.404 10.079 14.012 1.00 12.22 O ATOM 986 CB ASN A 68 16.479 10.683 11.175 1.00 21.43 C ATOM 987 CG ASN A 68 15.280 10.288 10.335 1.00 60.01 C ATOM 988 OD1 ASN A 68 15.307 9.279 9.629 1.00 3.45 O ATOM 989 ND2 ASN A 68 14.220 11.084 10.407 1.00 53.24 N ATOM 0 H ASN A 68 15.118 10.769 13.227 1.00 2.24 H new ATOM 0 HA ASN A 68 16.536 8.703 12.013 1.00 44.21 H new ATOM 0 HB2 ASN A 68 16.334 11.693 11.557 1.00 21.43 H new ATOM 0 HB3 ASN A 68 17.369 10.704 10.546 1.00 21.43 H new ATOM 0 HD21 ASN A 68 13.384 10.870 9.864 1.00 53.24 H new ATOM 0 HD22 ASN A 68 14.242 11.910 11.005 1.00 53.24 H new ATOM 996 N ASN A 69 19.096 9.662 11.913 1.00 51.01 N ATOM 997 CA ASN A 69 20.513 9.743 12.247 1.00 42.41 C ATOM 998 C ASN A 69 20.910 8.628 13.210 1.00 41.34 C ATOM 999 O ASN A 69 21.983 8.668 13.812 1.00 74.24 O ATOM 1000 CB ASN A 69 20.835 11.105 12.865 1.00 5.25 C ATOM 1001 CG ASN A 69 22.323 11.402 12.867 1.00 14.11 C ATOM 1002 OD1 ASN A 69 23.087 10.804 12.110 1.00 22.20 O ATOM 1003 ND2 ASN A 69 22.740 12.330 13.720 1.00 15.24 N ATOM 0 H ASN A 69 18.905 9.462 10.931 1.00 51.01 H new ATOM 0 HA ASN A 69 21.085 9.624 11.327 1.00 42.41 H new ATOM 0 HB2 ASN A 69 20.312 11.885 12.311 1.00 5.25 H new ATOM 0 HB3 ASN A 69 20.460 11.135 13.888 1.00 5.25 H new ATOM 0 HD21 ASN A 69 23.730 12.573 13.766 1.00 15.24 H new ATOM 0 HD22 ASN A 69 22.071 12.800 14.329 1.00 15.24 H new ATOM 1010 N GLU A 70 20.037 7.635 13.348 1.00 4.14 N ATOM 1011 CA GLU A 70 20.297 6.509 14.238 1.00 4.40 C ATOM 1012 C GLU A 70 20.100 5.183 13.509 1.00 12.25 C ATOM 1013 O GLU A 70 18.970 4.751 13.280 1.00 23.14 O ATOM 1014 CB GLU A 70 19.379 6.574 15.460 1.00 2.14 C ATOM 1015 CG GLU A 70 19.121 5.220 16.100 1.00 54.23 C ATOM 1016 CD GLU A 70 17.722 4.703 15.826 1.00 53.33 C ATOM 1017 OE1 GLU A 70 16.797 5.534 15.699 1.00 23.44 O ATOM 1018 OE2 GLU A 70 17.551 3.470 15.738 1.00 61.52 O ATOM 0 H GLU A 70 19.145 7.587 12.856 1.00 4.14 H new ATOM 0 HA GLU A 70 21.334 6.571 14.568 1.00 4.40 H new ATOM 0 HB2 GLU A 70 19.822 7.239 16.202 1.00 2.14 H new ATOM 0 HB3 GLU A 70 18.427 7.015 15.165 1.00 2.14 H new ATOM 0 HG2 GLU A 70 19.850 4.501 15.726 1.00 54.23 H new ATOM 0 HG3 GLU A 70 19.272 5.296 17.177 1.00 54.23 H new ATOM 1025 N SER A 71 21.207 4.543 13.148 1.00 71.15 N ATOM 1026 CA SER A 71 21.157 3.268 12.441 1.00 55.30 C ATOM 1027 C SER A 71 22.151 2.277 13.038 1.00 74.32 C ATOM 1028 O SER A 71 22.944 2.627 13.912 1.00 24.21 O ATOM 1029 CB SER A 71 21.453 3.473 10.954 1.00 4.22 C ATOM 1030 OG SER A 71 20.727 4.574 10.436 1.00 73.20 O ATOM 0 H SER A 71 22.150 4.886 13.333 1.00 71.15 H new ATOM 0 HA SER A 71 20.153 2.859 12.550 1.00 55.30 H new ATOM 0 HB2 SER A 71 22.521 3.639 10.812 1.00 4.22 H new ATOM 0 HB3 SER A 71 21.194 2.570 10.401 1.00 4.22 H new ATOM 0 HG SER A 71 21.056 5.403 10.842 1.00 73.20 H new ATOM 1036 N CYS A 72 22.101 1.039 12.559 1.00 33.44 N ATOM 1037 CA CYS A 72 22.996 -0.006 13.045 1.00 11.44 C ATOM 1038 C CYS A 72 23.905 -0.506 11.928 1.00 50.13 C ATOM 1039 O CYS A 72 23.542 -0.463 10.752 1.00 34.43 O ATOM 1040 CB CYS A 72 22.189 -1.170 13.623 1.00 43.41 C ATOM 1041 SG CYS A 72 22.931 -1.927 15.088 1.00 40.51 S ATOM 0 H CYS A 72 21.451 0.734 11.835 1.00 33.44 H new ATOM 0 HA CYS A 72 23.619 0.420 13.832 1.00 11.44 H new ATOM 0 HB2 CYS A 72 21.190 -0.815 13.877 1.00 43.41 H new ATOM 0 HB3 CYS A 72 22.070 -1.933 12.854 1.00 43.41 H new ATOM 0 HG CYS A 72 22.175 -2.899 15.504 1.00 40.51 H new ATOM 1047 N SER A 73 25.090 -0.978 12.302 1.00 34.42 N ATOM 1048 CA SER A 73 26.054 -1.482 11.331 1.00 53.11 C ATOM 1049 C SER A 73 26.566 -2.860 11.739 1.00 44.25 C ATOM 1050 O SER A 73 27.322 -2.994 12.701 1.00 32.13 O ATOM 1051 CB SER A 73 27.226 -0.509 11.193 1.00 23.02 C ATOM 1052 OG SER A 73 27.912 -0.359 12.424 1.00 13.04 O ATOM 0 H SER A 73 25.406 -1.022 13.271 1.00 34.42 H new ATOM 0 HA SER A 73 25.551 -1.572 10.368 1.00 53.11 H new ATOM 0 HB2 SER A 73 27.916 -0.871 10.431 1.00 23.02 H new ATOM 0 HB3 SER A 73 26.860 0.461 10.857 1.00 23.02 H new ATOM 0 HG SER A 73 27.948 -1.223 12.886 1.00 13.04 H new ATOM 1058 N VAL A 74 26.150 -3.882 10.998 1.00 32.11 N ATOM 1059 CA VAL A 74 26.567 -5.250 11.280 1.00 33.53 C ATOM 1060 C VAL A 74 26.592 -6.091 10.009 1.00 53.35 C ATOM 1061 O VAL A 74 25.868 -5.811 9.053 1.00 40.21 O ATOM 1062 CB VAL A 74 25.634 -5.921 12.307 1.00 5.31 C ATOM 1063 CG1 VAL A 74 25.563 -5.095 13.583 1.00 63.14 C ATOM 1064 CG2 VAL A 74 24.248 -6.123 11.715 1.00 51.21 C ATOM 0 H VAL A 74 25.524 -3.788 10.198 1.00 32.11 H new ATOM 0 HA VAL A 74 27.573 -5.194 11.695 1.00 33.53 H new ATOM 0 HB VAL A 74 26.042 -6.900 12.558 1.00 5.31 H new ATOM 0 HG11 VAL A 74 24.900 -5.584 14.297 1.00 63.14 H new ATOM 0 HG12 VAL A 74 26.560 -5.007 14.015 1.00 63.14 H new ATOM 0 HG13 VAL A 74 25.179 -4.101 13.352 1.00 63.14 H new ATOM 0 HG21 VAL A 74 23.602 -6.598 12.454 1.00 51.21 H new ATOM 0 HG22 VAL A 74 23.828 -5.157 11.434 1.00 51.21 H new ATOM 0 HG23 VAL A 74 24.318 -6.759 10.833 1.00 51.21 H new ATOM 1074 N SER A 75 27.430 -7.123 10.004 1.00 55.40 N ATOM 1075 CA SER A 75 27.552 -8.003 8.848 1.00 52.11 C ATOM 1076 C SER A 75 26.320 -8.893 8.710 1.00 41.30 C ATOM 1077 O SER A 75 26.190 -9.902 9.401 1.00 33.34 O ATOM 1078 CB SER A 75 28.808 -8.867 8.969 1.00 23.20 C ATOM 1079 OG SER A 75 28.760 -9.677 10.131 1.00 63.01 O ATOM 0 H SER A 75 28.034 -7.370 10.788 1.00 55.40 H new ATOM 0 HA SER A 75 27.631 -7.382 7.956 1.00 52.11 H new ATOM 0 HB2 SER A 75 28.905 -9.498 8.086 1.00 23.20 H new ATOM 0 HB3 SER A 75 29.691 -8.228 9.003 1.00 23.20 H new ATOM 0 HG SER A 75 27.857 -10.043 10.238 1.00 63.01 H new ATOM 1085 N ALA A 76 25.419 -8.510 7.812 1.00 51.45 N ATOM 1086 CA ALA A 76 24.199 -9.273 7.580 1.00 15.54 C ATOM 1087 C ALA A 76 24.448 -10.429 6.619 1.00 61.33 C ATOM 1088 O ALA A 76 25.328 -10.357 5.762 1.00 63.53 O ATOM 1089 CB ALA A 76 23.102 -8.364 7.044 1.00 61.45 C ATOM 0 H ALA A 76 25.511 -7.675 7.233 1.00 51.45 H new ATOM 0 HA ALA A 76 23.875 -9.692 8.533 1.00 15.54 H new ATOM 0 HB1 ALA A 76 22.197 -8.947 6.875 1.00 61.45 H new ATOM 0 HB2 ALA A 76 22.896 -7.576 7.768 1.00 61.45 H new ATOM 0 HB3 ALA A 76 23.426 -7.917 6.104 1.00 61.45 H new ATOM 1095 N ALA A 77 23.668 -11.495 6.767 1.00 22.14 N ATOM 1096 CA ALA A 77 23.804 -12.667 5.911 1.00 43.30 C ATOM 1097 C ALA A 77 22.492 -12.983 5.201 1.00 45.45 C ATOM 1098 O ALA A 77 21.403 -12.781 5.738 1.00 43.42 O ATOM 1099 CB ALA A 77 24.267 -13.865 6.726 1.00 64.22 C ATOM 0 H ALA A 77 22.935 -11.571 7.472 1.00 22.14 H new ATOM 0 HA ALA A 77 24.554 -12.447 5.152 1.00 43.30 H new ATOM 0 HB1 ALA A 77 24.364 -14.733 6.074 1.00 64.22 H new ATOM 0 HB2 ALA A 77 25.232 -13.644 7.182 1.00 64.22 H new ATOM 0 HB3 ALA A 77 23.537 -14.078 7.507 1.00 64.22 H new ATOM 1105 N PRO A 78 22.596 -13.490 3.963 1.00 10.31 N ATOM 1106 CA PRO A 78 21.427 -13.844 3.152 1.00 21.15 C ATOM 1107 C PRO A 78 20.693 -15.064 3.697 1.00 75.42 C ATOM 1108 O PRO A 78 21.156 -15.713 4.634 1.00 13.10 O ATOM 1109 CB PRO A 78 22.028 -14.151 1.778 1.00 1.44 C ATOM 1110 CG PRO A 78 23.433 -14.557 2.062 1.00 61.13 C ATOM 1111 CD PRO A 78 23.862 -13.757 3.260 1.00 1.32 C ATOM 0 HA PRO A 78 20.683 -13.047 3.138 1.00 21.15 H new ATOM 0 HB2 PRO A 78 21.480 -14.947 1.275 1.00 1.44 H new ATOM 0 HB3 PRO A 78 21.992 -13.278 1.126 1.00 1.44 H new ATOM 0 HG2 PRO A 78 23.497 -15.626 2.264 1.00 61.13 H new ATOM 0 HG3 PRO A 78 24.078 -14.355 1.207 1.00 61.13 H new ATOM 0 HD2 PRO A 78 24.560 -14.313 3.886 1.00 1.32 H new ATOM 0 HD3 PRO A 78 24.362 -12.834 2.968 1.00 1.32 H new ATOM 1119 N GLY A 79 19.544 -15.372 3.102 1.00 33.12 N ATOM 1120 CA GLY A 79 18.764 -16.515 3.541 1.00 11.53 C ATOM 1121 C GLY A 79 17.656 -16.126 4.500 1.00 72.10 C ATOM 1122 O GLY A 79 16.513 -16.560 4.350 1.00 61.23 O ATOM 0 H GLY A 79 19.140 -14.851 2.324 1.00 33.12 H new ATOM 0 HA2 GLY A 79 18.331 -17.011 2.672 1.00 11.53 H new ATOM 0 HA3 GLY A 79 19.423 -17.236 4.025 1.00 11.53 H new ATOM 1126 N THR A 80 17.993 -15.306 5.491 1.00 71.50 N ATOM 1127 CA THR A 80 17.019 -14.862 6.480 1.00 50.11 C ATOM 1128 C THR A 80 16.414 -13.518 6.091 1.00 44.25 C ATOM 1129 O THR A 80 17.134 -12.563 5.795 1.00 62.10 O ATOM 1130 CB THR A 80 17.653 -14.741 7.878 1.00 5.22 C ATOM 1131 OG1 THR A 80 18.256 -15.985 8.252 1.00 10.22 O ATOM 1132 CG2 THR A 80 16.611 -14.345 8.913 1.00 30.10 C ATOM 0 H THR A 80 18.933 -14.936 5.630 1.00 71.50 H new ATOM 0 HA THR A 80 16.233 -15.616 6.510 1.00 50.11 H new ATOM 0 HB THR A 80 18.417 -13.964 7.840 1.00 5.22 H new ATOM 0 HG1 THR A 80 18.658 -15.899 9.141 1.00 10.22 H new ATOM 0 HG21 THR A 80 17.083 -14.266 9.892 1.00 30.10 H new ATOM 0 HG22 THR A 80 16.175 -13.383 8.641 1.00 30.10 H new ATOM 0 HG23 THR A 80 15.827 -15.102 8.948 1.00 30.10 H new ATOM 1140 N THR A 81 15.087 -13.448 6.092 1.00 32.25 N ATOM 1141 CA THR A 81 14.385 -12.221 5.739 1.00 1.30 C ATOM 1142 C THR A 81 14.553 -11.161 6.821 1.00 14.55 C ATOM 1143 O THR A 81 14.474 -11.459 8.013 1.00 14.45 O ATOM 1144 CB THR A 81 12.883 -12.477 5.515 1.00 12.12 C ATOM 1145 OG1 THR A 81 12.701 -13.625 4.679 1.00 52.45 O ATOM 1146 CG2 THR A 81 12.217 -11.267 4.877 1.00 32.12 C ATOM 0 H THR A 81 14.476 -14.228 6.334 1.00 32.25 H new ATOM 0 HA THR A 81 14.826 -11.861 4.810 1.00 1.30 H new ATOM 0 HB THR A 81 12.419 -12.658 6.485 1.00 12.12 H new ATOM 0 HG1 THR A 81 11.743 -13.782 4.543 1.00 52.45 H new ATOM 0 HG21 THR A 81 11.157 -11.471 4.728 1.00 32.12 H new ATOM 0 HG22 THR A 81 12.332 -10.402 5.530 1.00 32.12 H new ATOM 0 HG23 THR A 81 12.685 -11.060 3.915 1.00 32.12 H new ATOM 1154 N TYR A 82 14.783 -9.922 6.399 1.00 24.44 N ATOM 1155 CA TYR A 82 14.964 -8.818 7.334 1.00 53.43 C ATOM 1156 C TYR A 82 13.769 -7.869 7.293 1.00 21.42 C ATOM 1157 O TYR A 82 13.254 -7.547 6.222 1.00 15.24 O ATOM 1158 CB TYR A 82 16.248 -8.052 7.009 1.00 33.25 C ATOM 1159 CG TYR A 82 17.505 -8.763 7.456 1.00 4.11 C ATOM 1160 CD1 TYR A 82 17.790 -8.931 8.806 1.00 52.52 C ATOM 1161 CD2 TYR A 82 18.410 -9.266 6.529 1.00 54.32 C ATOM 1162 CE1 TYR A 82 18.938 -9.578 9.219 1.00 70.52 C ATOM 1163 CE2 TYR A 82 19.559 -9.916 6.933 1.00 64.24 C ATOM 1164 CZ TYR A 82 19.819 -10.070 8.278 1.00 2.14 C ATOM 1165 OH TYR A 82 20.964 -10.716 8.685 1.00 62.13 O ATOM 0 H TYR A 82 14.848 -9.658 5.416 1.00 24.44 H new ATOM 0 HA TYR A 82 15.041 -9.234 8.338 1.00 53.43 H new ATOM 0 HB2 TYR A 82 16.299 -7.884 5.933 1.00 33.25 H new ATOM 0 HB3 TYR A 82 16.207 -7.072 7.484 1.00 33.25 H new ATOM 0 HD1 TYR A 82 17.101 -8.549 9.545 1.00 52.52 H new ATOM 0 HD2 TYR A 82 18.211 -9.146 5.474 1.00 54.32 H new ATOM 0 HE1 TYR A 82 19.145 -9.698 10.272 1.00 70.52 H new ATOM 0 HE2 TYR A 82 20.251 -10.302 6.199 1.00 64.24 H new ATOM 0 HH TYR A 82 21.043 -11.571 8.213 1.00 62.13 H new ATOM 1175 N HIS A 83 13.334 -7.426 8.468 1.00 2.53 N ATOM 1176 CA HIS A 83 12.201 -6.513 8.569 1.00 51.22 C ATOM 1177 C HIS A 83 12.668 -5.104 8.922 1.00 13.14 C ATOM 1178 O HIS A 83 13.755 -4.918 9.469 1.00 42.02 O ATOM 1179 CB HIS A 83 11.208 -7.012 9.619 1.00 62.30 C ATOM 1180 CG HIS A 83 10.120 -7.872 9.054 1.00 63.55 C ATOM 1181 ND1 HIS A 83 8.897 -7.375 8.656 1.00 3.21 N ATOM 1182 CD2 HIS A 83 10.077 -9.205 8.818 1.00 3.30 C ATOM 1183 CE1 HIS A 83 8.148 -8.364 8.202 1.00 4.13 C ATOM 1184 NE2 HIS A 83 8.841 -9.485 8.289 1.00 3.03 N ATOM 0 H HIS A 83 13.749 -7.684 9.363 1.00 2.53 H new ATOM 0 HA HIS A 83 11.706 -6.480 7.599 1.00 51.22 H new ATOM 0 HB2 HIS A 83 11.748 -7.577 10.379 1.00 62.30 H new ATOM 0 HB3 HIS A 83 10.759 -6.154 10.119 1.00 62.30 H new ATOM 0 HD2 HIS A 83 10.867 -9.915 9.010 1.00 3.30 H new ATOM 0 HE1 HIS A 83 7.141 -8.272 7.824 1.00 4.13 H new ATOM 0 HE2 HIS A 83 8.512 -10.409 8.009 1.00 3.03 H new ATOM 1192 N VAL A 84 11.839 -4.114 8.606 1.00 34.14 N ATOM 1193 CA VAL A 84 12.166 -2.722 8.891 1.00 62.11 C ATOM 1194 C VAL A 84 10.954 -1.971 9.429 1.00 34.22 C ATOM 1195 O VAL A 84 9.839 -2.137 8.935 1.00 52.40 O ATOM 1196 CB VAL A 84 12.687 -2.000 7.634 1.00 2.01 C ATOM 1197 CG1 VAL A 84 13.213 -0.618 7.992 1.00 65.34 C ATOM 1198 CG2 VAL A 84 13.764 -2.830 6.951 1.00 1.54 C ATOM 0 H VAL A 84 10.936 -4.250 8.152 1.00 34.14 H new ATOM 0 HA VAL A 84 12.950 -2.730 9.648 1.00 62.11 H new ATOM 0 HB VAL A 84 11.859 -1.877 6.936 1.00 2.01 H new ATOM 0 HG11 VAL A 84 13.577 -0.123 7.092 1.00 65.34 H new ATOM 0 HG12 VAL A 84 12.411 -0.026 8.433 1.00 65.34 H new ATOM 0 HG13 VAL A 84 14.029 -0.714 8.708 1.00 65.34 H new ATOM 0 HG21 VAL A 84 14.121 -2.305 6.065 1.00 1.54 H new ATOM 0 HG22 VAL A 84 14.595 -2.986 7.639 1.00 1.54 H new ATOM 0 HG23 VAL A 84 13.349 -3.795 6.659 1.00 1.54 H new ATOM 1208 N MET A 85 11.179 -1.145 10.445 1.00 5.32 N ATOM 1209 CA MET A 85 10.105 -0.366 11.050 1.00 72.20 C ATOM 1210 C MET A 85 10.549 1.072 11.299 1.00 31.42 C ATOM 1211 O MET A 85 11.549 1.313 11.976 1.00 13.51 O ATOM 1212 CB MET A 85 9.658 -1.009 12.364 1.00 34.31 C ATOM 1213 CG MET A 85 8.448 -0.335 12.990 1.00 54.21 C ATOM 1214 SD MET A 85 6.910 -0.736 12.137 1.00 23.44 S ATOM 1215 CE MET A 85 5.703 -0.143 13.319 1.00 13.35 C ATOM 0 H MET A 85 12.096 -0.998 10.867 1.00 5.32 H new ATOM 0 HA MET A 85 9.265 -0.352 10.356 1.00 72.20 H new ATOM 0 HB2 MET A 85 9.426 -2.059 12.185 1.00 34.31 H new ATOM 0 HB3 MET A 85 10.486 -0.982 13.072 1.00 34.31 H new ATOM 0 HG2 MET A 85 8.369 -0.637 14.034 1.00 54.21 H new ATOM 0 HG3 MET A 85 8.593 0.745 12.980 1.00 54.21 H new ATOM 0 HE1 MET A 85 4.699 -0.321 12.934 1.00 13.35 H new ATOM 0 HE2 MET A 85 5.828 -0.672 14.264 1.00 13.35 H new ATOM 0 HE3 MET A 85 5.846 0.925 13.480 1.00 13.35 H new ATOM 1225 N ILE A 86 9.800 2.021 10.748 1.00 4.24 N ATOM 1226 CA ILE A 86 10.118 3.434 10.912 1.00 15.43 C ATOM 1227 C ILE A 86 9.068 4.138 11.766 1.00 72.02 C ATOM 1228 O ILE A 86 7.921 4.301 11.350 1.00 54.43 O ATOM 1229 CB ILE A 86 10.221 4.150 9.552 1.00 34.23 C ATOM 1230 CG1 ILE A 86 11.141 3.371 8.610 1.00 1.03 C ATOM 1231 CG2 ILE A 86 10.726 5.573 9.739 1.00 31.51 C ATOM 1232 CD1 ILE A 86 12.594 3.393 9.030 1.00 1.44 C ATOM 0 H ILE A 86 8.970 1.837 10.185 1.00 4.24 H new ATOM 0 HA ILE A 86 11.085 3.484 11.413 1.00 15.43 H new ATOM 0 HB ILE A 86 9.228 4.194 9.105 1.00 34.23 H new ATOM 0 HG12 ILE A 86 10.802 2.336 8.557 1.00 1.03 H new ATOM 0 HG13 ILE A 86 11.055 3.786 7.606 1.00 1.03 H new ATOM 0 HG21 ILE A 86 10.793 6.066 8.769 1.00 31.51 H new ATOM 0 HG22 ILE A 86 10.035 6.123 10.378 1.00 31.51 H new ATOM 0 HG23 ILE A 86 11.712 5.551 10.204 1.00 31.51 H new ATOM 0 HD11 ILE A 86 13.188 2.821 8.317 1.00 1.44 H new ATOM 0 HD12 ILE A 86 12.950 4.423 9.055 1.00 1.44 H new ATOM 0 HD13 ILE A 86 12.693 2.951 10.021 1.00 1.44 H new ATOM 1244 N LYS A 87 9.468 4.555 12.962 1.00 24.32 N ATOM 1245 CA LYS A 87 8.564 5.244 13.875 1.00 4.20 C ATOM 1246 C LYS A 87 8.818 6.748 13.859 1.00 0.21 C ATOM 1247 O LYS A 87 9.941 7.196 13.631 1.00 21.23 O ATOM 1248 CB LYS A 87 8.732 4.703 15.297 1.00 55.13 C ATOM 1249 CG LYS A 87 7.424 4.279 15.944 1.00 64.45 C ATOM 1250 CD LYS A 87 6.802 5.413 16.739 1.00 13.43 C ATOM 1251 CE LYS A 87 5.408 5.751 16.232 1.00 61.21 C ATOM 1252 NZ LYS A 87 4.348 5.072 17.028 1.00 5.02 N ATOM 0 H LYS A 87 10.414 4.428 13.322 1.00 24.32 H new ATOM 0 HA LYS A 87 7.542 5.062 13.542 1.00 4.20 H new ATOM 0 HB2 LYS A 87 9.410 3.850 15.275 1.00 55.13 H new ATOM 0 HB3 LYS A 87 9.202 5.468 15.915 1.00 55.13 H new ATOM 0 HG2 LYS A 87 6.727 3.948 15.174 1.00 64.45 H new ATOM 0 HG3 LYS A 87 7.601 3.427 16.601 1.00 64.45 H new ATOM 0 HD2 LYS A 87 6.750 5.135 17.792 1.00 13.43 H new ATOM 0 HD3 LYS A 87 7.438 6.296 16.674 1.00 13.43 H new ATOM 0 HE2 LYS A 87 5.258 6.830 16.274 1.00 61.21 H new ATOM 0 HE3 LYS A 87 5.321 5.457 15.186 1.00 61.21 H new ATOM 0 HZ1 LYS A 87 3.413 5.328 16.651 1.00 5.02 H new ATOM 0 HZ2 LYS A 87 4.475 4.042 16.968 1.00 5.02 H new ATOM 0 HZ3 LYS A 87 4.414 5.372 18.022 1.00 5.02 H new ATOM 1266 N GLY A 88 7.766 7.524 14.104 1.00 3.13 N ATOM 1267 CA GLY A 88 7.897 8.969 14.115 1.00 50.33 C ATOM 1268 C GLY A 88 7.479 9.580 15.437 1.00 35.25 C ATOM 1269 O GLY A 88 6.723 8.973 16.198 1.00 45.42 O ATOM 0 H GLY A 88 6.826 7.177 14.295 1.00 3.13 H new ATOM 0 HA2 GLY A 88 8.932 9.238 13.905 1.00 50.33 H new ATOM 0 HA3 GLY A 88 7.289 9.392 13.315 1.00 50.33 H new ATOM 1273 N TYR A 89 7.971 10.782 15.714 1.00 13.22 N ATOM 1274 CA TYR A 89 7.647 11.473 16.957 1.00 54.35 C ATOM 1275 C TYR A 89 6.833 12.734 16.682 1.00 2.51 C ATOM 1276 O TYR A 89 6.133 13.238 17.560 1.00 13.21 O ATOM 1277 CB TYR A 89 8.926 11.833 17.713 1.00 23.13 C ATOM 1278 CG TYR A 89 8.780 11.765 19.217 1.00 51.53 C ATOM 1279 CD1 TYR A 89 8.227 12.822 19.929 1.00 54.31 C ATOM 1280 CD2 TYR A 89 9.194 10.644 19.925 1.00 62.01 C ATOM 1281 CE1 TYR A 89 8.092 12.765 21.303 1.00 52.05 C ATOM 1282 CE2 TYR A 89 9.062 10.577 21.298 1.00 11.45 C ATOM 1283 CZ TYR A 89 8.511 11.641 21.983 1.00 74.43 C ATOM 1284 OH TYR A 89 8.377 11.579 23.351 1.00 53.11 O ATOM 0 H TYR A 89 8.596 11.298 15.095 1.00 13.22 H new ATOM 0 HA TYR A 89 7.047 10.801 17.571 1.00 54.35 H new ATOM 0 HB2 TYR A 89 9.724 11.158 17.403 1.00 23.13 H new ATOM 0 HB3 TYR A 89 9.233 12.840 17.431 1.00 23.13 H new ATOM 0 HD1 TYR A 89 7.897 13.703 19.399 1.00 54.31 H new ATOM 0 HD2 TYR A 89 9.627 9.810 19.392 1.00 62.01 H new ATOM 0 HE1 TYR A 89 7.661 13.596 21.841 1.00 52.05 H new ATOM 0 HE2 TYR A 89 9.388 9.697 21.833 1.00 11.45 H new ATOM 0 HH TYR A 89 8.719 10.720 23.675 1.00 53.11 H new ATOM 1294 N SER A 90 6.931 13.239 15.456 1.00 4.03 N ATOM 1295 CA SER A 90 6.208 14.443 15.065 1.00 11.11 C ATOM 1296 C SER A 90 6.297 14.665 13.558 1.00 3.13 C ATOM 1297 O SER A 90 7.368 14.543 12.965 1.00 53.35 O ATOM 1298 CB SER A 90 6.764 15.661 15.805 1.00 22.04 C ATOM 1299 OG SER A 90 8.055 16.001 15.329 1.00 12.54 O ATOM 0 H SER A 90 7.504 12.833 14.717 1.00 4.03 H new ATOM 0 HA SER A 90 5.160 14.311 15.334 1.00 11.11 H new ATOM 0 HB2 SER A 90 6.090 16.508 15.675 1.00 22.04 H new ATOM 0 HB3 SER A 90 6.810 15.451 16.874 1.00 22.04 H new ATOM 0 HG SER A 90 8.388 16.783 15.816 1.00 12.54 H new ATOM 1305 N ASN A 91 5.164 14.992 12.946 1.00 35.25 N ATOM 1306 CA ASN A 91 5.112 15.231 11.509 1.00 63.43 C ATOM 1307 C ASN A 91 6.409 15.866 11.016 1.00 20.22 C ATOM 1308 O ASN A 91 6.672 17.042 11.270 1.00 21.51 O ATOM 1309 CB ASN A 91 3.926 16.132 11.162 1.00 12.44 C ATOM 1310 CG ASN A 91 3.684 17.199 12.213 1.00 3.00 C ATOM 1311 OD1 ASN A 91 4.485 18.121 12.373 1.00 34.43 O ATOM 1312 ND2 ASN A 91 2.576 17.078 12.935 1.00 25.22 N ATOM 0 H ASN A 91 4.269 15.098 13.423 1.00 35.25 H new ATOM 0 HA ASN A 91 4.986 14.270 11.011 1.00 63.43 H new ATOM 0 HB2 ASN A 91 4.105 16.609 10.198 1.00 12.44 H new ATOM 0 HB3 ASN A 91 3.029 15.522 11.054 1.00 12.44 H new ATOM 0 HD21 ASN A 91 2.360 17.766 13.657 1.00 25.22 H new ATOM 0 HD22 ASN A 91 1.941 16.298 12.768 1.00 25.22 H new ATOM 1319 N TYR A 92 7.215 15.081 10.310 1.00 21.44 N ATOM 1320 CA TYR A 92 8.485 15.565 9.784 1.00 43.15 C ATOM 1321 C TYR A 92 9.023 14.626 8.708 1.00 31.11 C ATOM 1322 O TYR A 92 9.373 13.480 8.988 1.00 63.41 O ATOM 1323 CB TYR A 92 9.509 15.706 10.911 1.00 31.15 C ATOM 1324 CG TYR A 92 10.608 16.700 10.611 1.00 12.13 C ATOM 1325 CD1 TYR A 92 10.311 18.025 10.315 1.00 31.04 C ATOM 1326 CD2 TYR A 92 11.943 16.315 10.622 1.00 35.25 C ATOM 1327 CE1 TYR A 92 11.311 18.937 10.040 1.00 64.22 C ATOM 1328 CE2 TYR A 92 12.950 17.220 10.350 1.00 54.14 C ATOM 1329 CZ TYR A 92 12.629 18.530 10.059 1.00 61.33 C ATOM 1330 OH TYR A 92 13.629 19.434 9.785 1.00 44.21 O ATOM 0 H TYR A 92 7.011 14.106 10.089 1.00 21.44 H new ATOM 0 HA TYR A 92 8.313 16.543 9.335 1.00 43.15 H new ATOM 0 HB2 TYR A 92 8.994 16.011 11.822 1.00 31.15 H new ATOM 0 HB3 TYR A 92 9.956 14.732 11.108 1.00 31.15 H new ATOM 0 HD1 TYR A 92 9.280 18.347 10.300 1.00 31.04 H new ATOM 0 HD2 TYR A 92 12.198 15.290 10.847 1.00 35.25 H new ATOM 0 HE1 TYR A 92 11.063 19.963 9.811 1.00 64.22 H new ATOM 0 HE2 TYR A 92 13.983 16.904 10.365 1.00 54.14 H new ATOM 0 HH TYR A 92 13.345 20.330 10.063 1.00 44.21 H new ATOM 1340 N SER A 93 9.085 15.121 7.476 1.00 3.43 N ATOM 1341 CA SER A 93 9.577 14.327 6.357 1.00 70.12 C ATOM 1342 C SER A 93 10.782 14.997 5.703 1.00 30.42 C ATOM 1343 O SER A 93 11.028 16.186 5.900 1.00 73.14 O ATOM 1344 CB SER A 93 8.468 14.124 5.322 1.00 4.11 C ATOM 1345 OG SER A 93 7.893 15.362 4.942 1.00 50.10 O ATOM 0 H SER A 93 8.800 16.069 7.228 1.00 3.43 H new ATOM 0 HA SER A 93 9.888 13.356 6.742 1.00 70.12 H new ATOM 0 HB2 SER A 93 8.874 13.623 4.443 1.00 4.11 H new ATOM 0 HB3 SER A 93 7.697 13.472 5.733 1.00 4.11 H new ATOM 0 HG SER A 93 7.189 15.206 4.279 1.00 50.10 H new ATOM 1351 N GLY A 94 11.531 14.222 4.924 1.00 42.30 N ATOM 1352 CA GLY A 94 12.702 14.756 4.253 1.00 52.41 C ATOM 1353 C GLY A 94 13.969 14.006 4.612 1.00 72.23 C ATOM 1354 O GLY A 94 15.074 14.517 4.432 1.00 2.35 O ATOM 0 H GLY A 94 11.348 13.235 4.746 1.00 42.30 H new ATOM 0 HA2 GLY A 94 12.551 14.712 3.174 1.00 52.41 H new ATOM 0 HA3 GLY A 94 12.819 15.807 4.515 1.00 52.41 H new ATOM 1358 N VAL A 95 13.809 12.789 5.122 1.00 25.30 N ATOM 1359 CA VAL A 95 14.950 11.966 5.508 1.00 52.21 C ATOM 1360 C VAL A 95 15.082 10.749 4.600 1.00 75.32 C ATOM 1361 O VAL A 95 14.086 10.215 4.109 1.00 20.44 O ATOM 1362 CB VAL A 95 14.832 11.493 6.969 1.00 73.11 C ATOM 1363 CG1 VAL A 95 16.167 10.962 7.468 1.00 10.51 C ATOM 1364 CG2 VAL A 95 14.332 12.623 7.856 1.00 44.41 C ATOM 0 H VAL A 95 12.901 12.351 5.278 1.00 25.30 H new ATOM 0 HA VAL A 95 15.839 12.589 5.406 1.00 52.21 H new ATOM 0 HB VAL A 95 14.107 10.681 7.012 1.00 73.11 H new ATOM 0 HG11 VAL A 95 16.064 10.633 8.502 1.00 10.51 H new ATOM 0 HG12 VAL A 95 16.479 10.121 6.848 1.00 10.51 H new ATOM 0 HG13 VAL A 95 16.917 11.751 7.412 1.00 10.51 H new ATOM 0 HG21 VAL A 95 14.255 12.271 8.885 1.00 44.41 H new ATOM 0 HG22 VAL A 95 15.031 13.458 7.810 1.00 44.41 H new ATOM 0 HG23 VAL A 95 13.352 12.951 7.510 1.00 44.41 H new ATOM 1374 N THR A 96 16.318 10.313 4.379 1.00 30.33 N ATOM 1375 CA THR A 96 16.581 9.158 3.530 1.00 41.24 C ATOM 1376 C THR A 96 16.830 7.907 4.364 1.00 73.22 C ATOM 1377 O THR A 96 17.640 7.917 5.291 1.00 3.22 O ATOM 1378 CB THR A 96 17.795 9.400 2.613 1.00 4.13 C ATOM 1379 OG1 THR A 96 17.726 10.712 2.044 1.00 1.44 O ATOM 1380 CG2 THR A 96 17.850 8.362 1.502 1.00 3.53 C ATOM 0 H THR A 96 17.153 10.743 4.777 1.00 30.33 H new ATOM 0 HA THR A 96 15.694 9.010 2.915 1.00 41.24 H new ATOM 0 HB THR A 96 18.700 9.313 3.215 1.00 4.13 H new ATOM 0 HG1 THR A 96 18.502 10.858 1.464 1.00 1.44 H new ATOM 0 HG21 THR A 96 18.715 8.554 0.868 1.00 3.53 H new ATOM 0 HG22 THR A 96 17.933 7.366 1.938 1.00 3.53 H new ATOM 0 HG23 THR A 96 16.941 8.421 0.903 1.00 3.53 H new ATOM 1388 N LEU A 97 16.129 6.829 4.029 1.00 55.32 N ATOM 1389 CA LEU A 97 16.274 5.568 4.747 1.00 11.02 C ATOM 1390 C LEU A 97 16.898 4.501 3.853 1.00 13.03 C ATOM 1391 O LEU A 97 16.693 4.495 2.639 1.00 4.32 O ATOM 1392 CB LEU A 97 14.914 5.090 5.258 1.00 32.14 C ATOM 1393 CG LEU A 97 14.848 3.638 5.732 1.00 35.51 C ATOM 1394 CD1 LEU A 97 15.535 3.484 7.080 1.00 62.43 C ATOM 1395 CD2 LEU A 97 13.402 3.168 5.812 1.00 2.11 C ATOM 0 H LEU A 97 15.454 6.803 3.264 1.00 55.32 H new ATOM 0 HA LEU A 97 16.936 5.736 5.597 1.00 11.02 H new ATOM 0 HB2 LEU A 97 14.611 5.735 6.083 1.00 32.14 H new ATOM 0 HB3 LEU A 97 14.181 5.225 4.462 1.00 32.14 H new ATOM 0 HG LEU A 97 15.372 3.016 5.007 1.00 35.51 H new ATOM 0 HD11 LEU A 97 15.478 2.444 7.401 1.00 62.43 H new ATOM 0 HD12 LEU A 97 16.580 3.779 6.991 1.00 62.43 H new ATOM 0 HD13 LEU A 97 15.040 4.118 7.815 1.00 62.43 H new ATOM 0 HD21 LEU A 97 13.374 2.132 6.151 1.00 2.11 H new ATOM 0 HD22 LEU A 97 12.854 3.795 6.515 1.00 2.11 H new ATOM 0 HD23 LEU A 97 12.941 3.240 4.827 1.00 2.11 H new ATOM 1407 N LYS A 98 17.658 3.597 4.462 1.00 0.21 N ATOM 1408 CA LYS A 98 18.310 2.522 3.723 1.00 15.23 C ATOM 1409 C LYS A 98 18.635 1.350 4.643 1.00 63.30 C ATOM 1410 O LYS A 98 18.585 1.475 5.867 1.00 1.23 O ATOM 1411 CB LYS A 98 19.590 3.035 3.060 1.00 72.44 C ATOM 1412 CG LYS A 98 20.161 2.082 2.023 1.00 11.15 C ATOM 1413 CD LYS A 98 20.774 2.833 0.854 1.00 41.24 C ATOM 1414 CE LYS A 98 21.700 3.943 1.327 1.00 24.44 C ATOM 1415 NZ LYS A 98 22.923 4.043 0.483 1.00 54.44 N ATOM 0 H LYS A 98 17.838 3.587 5.466 1.00 0.21 H new ATOM 0 HA LYS A 98 17.623 2.175 2.951 1.00 15.23 H new ATOM 0 HB2 LYS A 98 19.384 3.994 2.585 1.00 72.44 H new ATOM 0 HB3 LYS A 98 20.341 3.214 3.829 1.00 72.44 H new ATOM 0 HG2 LYS A 98 20.917 1.449 2.487 1.00 11.15 H new ATOM 0 HG3 LYS A 98 19.372 1.423 1.660 1.00 11.15 H new ATOM 0 HD2 LYS A 98 21.330 2.138 0.225 1.00 41.24 H new ATOM 0 HD3 LYS A 98 19.982 3.257 0.237 1.00 41.24 H new ATOM 0 HE2 LYS A 98 21.167 4.894 1.308 1.00 24.44 H new ATOM 0 HE3 LYS A 98 21.987 3.760 2.362 1.00 24.44 H new ATOM 0 HZ1 LYS A 98 23.528 4.811 0.838 1.00 54.44 H new ATOM 0 HZ2 LYS A 98 23.446 3.145 0.521 1.00 54.44 H new ATOM 0 HZ3 LYS A 98 22.651 4.243 -0.500 1.00 54.44 H new ATOM 1429 N LEU A 99 18.970 0.211 4.046 1.00 5.23 N ATOM 1430 CA LEU A 99 19.306 -0.984 4.812 1.00 25.12 C ATOM 1431 C LEU A 99 20.792 -1.009 5.158 1.00 32.42 C ATOM 1432 O LEU A 99 21.625 -0.528 4.391 1.00 1.24 O ATOM 1433 CB LEU A 99 18.933 -2.241 4.024 1.00 43.32 C ATOM 1434 CG LEU A 99 20.096 -3.144 3.612 1.00 71.35 C ATOM 1435 CD1 LEU A 99 19.612 -4.569 3.392 1.00 64.33 C ATOM 1436 CD2 LEU A 99 20.769 -2.608 2.357 1.00 62.04 C ATOM 0 H LEU A 99 19.016 0.090 3.034 1.00 5.23 H new ATOM 0 HA LEU A 99 18.736 -0.962 5.741 1.00 25.12 H new ATOM 0 HB2 LEU A 99 18.238 -2.829 4.624 1.00 43.32 H new ATOM 0 HB3 LEU A 99 18.399 -1.936 3.124 1.00 43.32 H new ATOM 0 HG LEU A 99 20.829 -3.151 4.418 1.00 71.35 H new ATOM 0 HD11 LEU A 99 20.453 -5.198 3.099 1.00 64.33 H new ATOM 0 HD12 LEU A 99 19.177 -4.952 4.315 1.00 64.33 H new ATOM 0 HD13 LEU A 99 18.859 -4.580 2.604 1.00 64.33 H new ATOM 0 HD21 LEU A 99 21.594 -3.263 2.079 1.00 62.04 H new ATOM 0 HD22 LEU A 99 20.045 -2.571 1.543 1.00 62.04 H new ATOM 0 HD23 LEU A 99 21.151 -1.605 2.549 1.00 62.04 H new ATOM 1448 N GLN A 100 21.115 -1.576 6.316 1.00 12.03 N ATOM 1449 CA GLN A 100 22.500 -1.665 6.762 1.00 21.25 C ATOM 1450 C GLN A 100 23.024 -3.092 6.630 1.00 12.51 C ATOM 1451 O GLN A 100 22.686 -3.964 7.431 1.00 64.14 O ATOM 1452 CB GLN A 100 22.622 -1.197 8.214 1.00 72.23 C ATOM 1453 CG GLN A 100 21.624 -1.857 9.151 1.00 14.24 C ATOM 1454 CD GLN A 100 22.143 -3.154 9.738 1.00 24.50 C ATOM 1455 OE1 GLN A 100 21.465 -4.181 9.701 1.00 20.53 O ATOM 1456 NE2 GLN A 100 23.353 -3.115 10.283 1.00 25.15 N ATOM 0 H GLN A 100 20.437 -1.980 6.962 1.00 12.03 H new ATOM 0 HA GLN A 100 23.102 -1.016 6.126 1.00 21.25 H new ATOM 0 HB2 GLN A 100 23.632 -1.402 8.569 1.00 72.23 H new ATOM 0 HB3 GLN A 100 22.484 -0.116 8.252 1.00 72.23 H new ATOM 0 HG2 GLN A 100 21.381 -1.168 9.960 1.00 14.24 H new ATOM 0 HG3 GLN A 100 20.698 -2.053 8.610 1.00 14.24 H new ATOM 0 HE21 GLN A 100 23.880 -2.242 10.292 1.00 25.15 H new ATOM 0 HE22 GLN A 100 23.755 -3.958 10.693 1.00 25.15 H new ATOM 1465 N TYR A 101 23.849 -3.321 5.615 1.00 21.41 N ATOM 1466 CA TYR A 101 24.417 -4.643 5.376 1.00 3.22 C ATOM 1467 C TYR A 101 25.526 -4.948 6.378 1.00 24.22 C ATOM 1468 O TYR A 101 25.970 -6.089 6.499 1.00 12.13 O ATOM 1469 CB TYR A 101 24.963 -4.736 3.950 1.00 21.13 C ATOM 1470 CG TYR A 101 23.904 -5.043 2.915 1.00 1.35 C ATOM 1471 CD1 TYR A 101 23.062 -6.139 3.058 1.00 2.25 C ATOM 1472 CD2 TYR A 101 23.746 -4.237 1.794 1.00 21.35 C ATOM 1473 CE1 TYR A 101 22.094 -6.423 2.115 1.00 34.43 C ATOM 1474 CE2 TYR A 101 22.779 -4.513 0.847 1.00 25.41 C ATOM 1475 CZ TYR A 101 21.956 -5.608 1.012 1.00 51.52 C ATOM 1476 OH TYR A 101 20.993 -5.887 0.070 1.00 53.25 O ATOM 0 H TYR A 101 24.140 -2.609 4.945 1.00 21.41 H new ATOM 0 HA TYR A 101 23.624 -5.380 5.503 1.00 3.22 H new ATOM 0 HB2 TYR A 101 25.448 -3.794 3.693 1.00 21.13 H new ATOM 0 HB3 TYR A 101 25.730 -5.510 3.913 1.00 21.13 H new ATOM 0 HD1 TYR A 101 23.166 -6.780 3.921 1.00 2.25 H new ATOM 0 HD2 TYR A 101 24.390 -3.380 1.661 1.00 21.35 H new ATOM 0 HE1 TYR A 101 21.448 -7.279 2.241 1.00 34.43 H new ATOM 0 HE2 TYR A 101 22.668 -3.875 -0.018 1.00 25.41 H new ATOM 0 HH TYR A 101 20.233 -6.331 0.501 1.00 53.25 H new TER 1486 TYR A 101