USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 880 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 34 LYS NZ :NH3+ -166:sc= 1.1 (180deg=0.941) USER MOD Set 1.2: B 74 SER OG : rot 137:sc= 1.18 USER MOD Set 2.1: A 44 GLN : amide:sc= -0.123 K(o=-1.2,f=-3.5!) USER MOD Set 2.2: B 64 HIS : no HE2:sc= -1.06 K(o=-1.2,f=-3.1) USER MOD Set 3.1: B 43 MET CE :methyl 147:sc= -2.38 (180deg=-2.59!) USER MOD Set 3.2: B 46 MET CE :methyl -133:sc= -1.76 (180deg=-3!) USER MOD Set 4.1: A 74 SER OG : rot 40:sc= 0.838 USER MOD Set 4.2: B 34 LYS NZ :NH3+ 175:sc= 1.89 (180deg=0.915) USER MOD Set 5.1: A 64 HIS : no HE2:sc= -1.08 K(o=-1.3,f=-3.3) USER MOD Set 5.2: B 44 GLN : amide:sc= -0.228 K(o=-1.3,f=-3.5!) USER MOD Set 6.1: A 43 MET CE :methyl 148:sc= -2.39 (180deg=-2.6!) USER MOD Set 6.2: A 46 MET CE :methyl -128:sc= -1.79! (180deg=-3.07!) USER MOD Single : A -1 SER OG : rot 180:sc= -0.0447 USER MOD Single : A -2 GLY N :NH3+ 141:sc= 0.0352 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 170:sc= 1.08 (180deg=0.731) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot -87:sc= 0.928 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -113:sc= -3.78! (180deg=-5.56!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -36:sc= 0.408 USER MOD Single : A 57 ASN : amide:sc= -0.43 K(o=-0.43,f=-2.2) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 63 THR OG1 : rot 75:sc= 0.604 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -141:sc= -1.5 (180deg=-5.13!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : B -1 SER OG : rot 180:sc= -0.0408 USER MOD Single : B -2 GLY N :NH3+ -110:sc= 0.0304 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 163:sc= 1.01 (180deg=0.676) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 TYR OH : rot -88:sc= 0.922 USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 MET CE :methyl -115:sc= -3.87! (180deg=-5.6!) USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 54 SER OG : rot -31:sc= 0.328 USER MOD Single : B 57 ASN : amide:sc= -0.421 K(o=-0.42,f=-2.4) USER MOD Single : B 59 SER OG : rot 180:sc= 0.0106 USER MOD Single : B 63 THR OG1 : rot 75:sc= 0.603 USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 MET CE :methyl -142:sc= -1.46 (180deg=-4.97!) USER MOD Single : B 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -9.812 -12.474 -12.040 1.00 7.36 N ATOM 2 CA GLY A -2 -8.486 -11.826 -11.901 1.00 7.04 C ATOM 3 C GLY A -2 -8.565 -10.329 -12.105 1.00 6.49 C ATOM 4 O GLY A -2 -9.424 -9.841 -12.839 1.00 6.41 O ATOM 0 H1 GLY A -2 -9.705 -13.381 -12.537 1.00 7.36 H new ATOM 0 H2 GLY A -2 -10.217 -12.642 -11.097 1.00 7.36 H new ATOM 0 H3 GLY A -2 -10.446 -11.854 -12.584 1.00 7.36 H new ATOM 0 HA2 GLY A -2 -8.081 -12.037 -10.911 1.00 7.04 H new ATOM 0 HA3 GLY A -2 -7.795 -12.255 -12.626 1.00 7.04 H new ATOM 10 N SER A -1 -7.684 -9.595 -11.441 1.00 6.40 N ATOM 11 CA SER A -1 -7.640 -8.146 -11.564 1.00 6.10 C ATOM 12 C SER A -1 -6.220 -7.638 -11.335 1.00 5.78 C ATOM 13 O SER A -1 -5.764 -7.558 -10.193 1.00 6.08 O ATOM 14 CB SER A -1 -8.600 -7.496 -10.563 1.00 6.39 C ATOM 15 OG SER A -1 -9.922 -7.987 -10.730 1.00 6.63 O ATOM 0 H SER A -1 -6.985 -9.983 -10.807 1.00 6.40 H new ATOM 0 HA SER A -1 -7.951 -7.875 -12.573 1.00 6.10 H new ATOM 0 HB2 SER A -1 -8.260 -7.695 -9.547 1.00 6.39 H new ATOM 0 HB3 SER A -1 -8.591 -6.414 -10.696 1.00 6.39 H new ATOM 0 HG SER A -1 -10.515 -7.558 -10.078 1.00 6.63 H new ATOM 21 N LYS A 32 -5.532 -7.323 -12.433 1.00 5.46 N ATOM 22 CA LYS A 32 -4.169 -6.783 -12.398 1.00 5.30 C ATOM 23 C LYS A 32 -3.145 -7.833 -11.973 1.00 4.83 C ATOM 24 O LYS A 32 -3.354 -8.587 -11.017 1.00 4.65 O ATOM 25 CB LYS A 32 -4.073 -5.571 -11.467 1.00 5.58 C ATOM 26 CG LYS A 32 -4.849 -4.357 -11.945 1.00 6.00 C ATOM 27 CD LYS A 32 -4.292 -3.814 -13.248 1.00 6.38 C ATOM 28 CE LYS A 32 -4.883 -2.454 -13.576 1.00 7.09 C ATOM 29 NZ LYS A 32 -4.485 -1.424 -12.578 1.00 7.47 N ATOM 0 H LYS A 32 -5.904 -7.435 -13.376 1.00 5.46 H new ATOM 0 HA LYS A 32 -3.937 -6.471 -13.416 1.00 5.30 H new ATOM 0 HB2 LYS A 32 -4.437 -5.855 -10.480 1.00 5.58 H new ATOM 0 HB3 LYS A 32 -3.024 -5.296 -11.353 1.00 5.58 H new ATOM 0 HG2 LYS A 32 -5.897 -4.625 -12.080 1.00 6.00 H new ATOM 0 HG3 LYS A 32 -4.815 -3.579 -11.182 1.00 6.00 H new ATOM 0 HD2 LYS A 32 -3.207 -3.734 -13.177 1.00 6.38 H new ATOM 0 HD3 LYS A 32 -4.508 -4.512 -14.057 1.00 6.38 H new ATOM 0 HE2 LYS A 32 -4.555 -2.145 -14.568 1.00 7.09 H new ATOM 0 HE3 LYS A 32 -5.970 -2.528 -13.608 1.00 7.09 H new ATOM 0 HZ1 LYS A 32 -4.762 -0.482 -12.921 1.00 7.47 H new ATOM 0 HZ2 LYS A 32 -4.960 -1.616 -11.673 1.00 7.47 H new ATOM 0 HZ3 LYS A 32 -3.454 -1.453 -12.441 1.00 7.47 H new ATOM 43 N GLU A 33 -2.034 -7.873 -12.691 1.00 4.81 N ATOM 44 CA GLU A 33 -0.930 -8.749 -12.341 1.00 4.46 C ATOM 45 C GLU A 33 -0.036 -8.045 -11.329 1.00 3.99 C ATOM 46 O GLU A 33 0.308 -6.876 -11.507 1.00 4.06 O ATOM 47 CB GLU A 33 -0.135 -9.122 -13.594 1.00 4.70 C ATOM 48 CG GLU A 33 0.980 -10.122 -13.341 1.00 4.79 C ATOM 49 CD GLU A 33 1.688 -10.529 -14.613 1.00 4.98 C ATOM 50 OE1 GLU A 33 1.242 -11.497 -15.264 1.00 5.29 O ATOM 51 OE2 GLU A 33 2.696 -9.884 -14.975 1.00 5.18 O ATOM 0 H GLU A 33 -1.874 -7.306 -13.523 1.00 4.81 H new ATOM 0 HA GLU A 33 -1.317 -9.667 -11.899 1.00 4.46 H new ATOM 0 HB2 GLU A 33 -0.818 -9.535 -14.336 1.00 4.70 H new ATOM 0 HB3 GLU A 33 0.293 -8.216 -14.024 1.00 4.70 H new ATOM 0 HG2 GLU A 33 1.702 -9.689 -12.649 1.00 4.79 H new ATOM 0 HG3 GLU A 33 0.567 -11.008 -12.859 1.00 4.79 H new ATOM 58 N LYS A 34 0.320 -8.744 -10.261 1.00 3.73 N ATOM 59 CA LYS A 34 1.109 -8.147 -9.193 1.00 3.43 C ATOM 60 C LYS A 34 2.603 -8.352 -9.439 1.00 3.03 C ATOM 61 O LYS A 34 3.101 -9.479 -9.393 1.00 3.00 O ATOM 62 CB LYS A 34 0.706 -8.720 -7.828 1.00 3.71 C ATOM 63 CG LYS A 34 -0.727 -8.391 -7.422 1.00 4.14 C ATOM 64 CD LYS A 34 -1.733 -9.350 -8.047 1.00 4.58 C ATOM 65 CE LYS A 34 -3.166 -9.007 -7.661 1.00 5.29 C ATOM 66 NZ LYS A 34 -3.648 -7.771 -8.330 1.00 5.78 N ATOM 0 H LYS A 34 0.076 -9.723 -10.111 1.00 3.73 H new ATOM 0 HA LYS A 34 0.907 -7.076 -9.187 1.00 3.43 H new ATOM 0 HB2 LYS A 34 0.829 -9.803 -7.848 1.00 3.71 H new ATOM 0 HB3 LYS A 34 1.386 -8.336 -7.068 1.00 3.71 H new ATOM 0 HG2 LYS A 34 -0.814 -8.431 -6.336 1.00 4.14 H new ATOM 0 HG3 LYS A 34 -0.964 -7.371 -7.723 1.00 4.14 H new ATOM 0 HD2 LYS A 34 -1.634 -9.323 -9.132 1.00 4.58 H new ATOM 0 HD3 LYS A 34 -1.507 -10.369 -7.732 1.00 4.58 H new ATOM 0 HE2 LYS A 34 -3.820 -9.839 -7.924 1.00 5.29 H new ATOM 0 HE3 LYS A 34 -3.229 -8.881 -6.580 1.00 5.29 H new ATOM 0 HZ1 LYS A 34 -4.521 -7.445 -7.869 1.00 5.78 H new ATOM 0 HZ2 LYS A 34 -2.921 -7.031 -8.258 1.00 5.78 H new ATOM 0 HZ3 LYS A 34 -3.840 -7.971 -9.332 1.00 5.78 H new ATOM 80 N PRO A 35 3.329 -7.258 -9.729 1.00 2.87 N ATOM 81 CA PRO A 35 4.773 -7.297 -9.998 1.00 2.61 C ATOM 82 C PRO A 35 5.594 -7.620 -8.747 1.00 2.27 C ATOM 83 O PRO A 35 5.175 -7.344 -7.619 1.00 2.34 O ATOM 84 CB PRO A 35 5.092 -5.879 -10.496 1.00 2.80 C ATOM 85 CG PRO A 35 3.769 -5.252 -10.787 1.00 3.20 C ATOM 86 CD PRO A 35 2.802 -5.893 -9.838 1.00 3.15 C ATOM 0 HA PRO A 35 5.026 -8.079 -10.714 1.00 2.61 H new ATOM 0 HB2 PRO A 35 5.638 -5.312 -9.742 1.00 2.80 H new ATOM 0 HB3 PRO A 35 5.718 -5.908 -11.388 1.00 2.80 H new ATOM 0 HG2 PRO A 35 3.806 -4.173 -10.640 1.00 3.20 H new ATOM 0 HG3 PRO A 35 3.474 -5.422 -11.822 1.00 3.20 H new ATOM 0 HD2 PRO A 35 2.783 -5.386 -8.873 1.00 3.15 H new ATOM 0 HD3 PRO A 35 1.783 -5.880 -10.225 1.00 3.15 H new ATOM 94 N LYS A 36 6.772 -8.191 -8.970 1.00 2.07 N ATOM 95 CA LYS A 36 7.642 -8.662 -7.895 1.00 1.82 C ATOM 96 C LYS A 36 8.243 -7.504 -7.098 1.00 1.56 C ATOM 97 O LYS A 36 8.410 -6.400 -7.618 1.00 1.53 O ATOM 98 CB LYS A 36 8.770 -9.516 -8.483 1.00 1.80 C ATOM 99 CG LYS A 36 9.689 -8.750 -9.426 1.00 2.24 C ATOM 100 CD LYS A 36 10.701 -9.663 -10.103 1.00 2.52 C ATOM 101 CE LYS A 36 11.625 -10.330 -9.097 1.00 3.04 C ATOM 102 NZ LYS A 36 12.623 -11.208 -9.758 1.00 3.62 N ATOM 0 H LYS A 36 7.153 -8.342 -9.904 1.00 2.07 H new ATOM 0 HA LYS A 36 7.034 -9.257 -7.214 1.00 1.82 H new ATOM 0 HB2 LYS A 36 9.364 -9.930 -7.668 1.00 1.80 H new ATOM 0 HB3 LYS A 36 8.334 -10.359 -9.019 1.00 1.80 H new ATOM 0 HG2 LYS A 36 9.091 -8.246 -10.185 1.00 2.24 H new ATOM 0 HG3 LYS A 36 10.216 -7.975 -8.869 1.00 2.24 H new ATOM 0 HD2 LYS A 36 10.175 -10.427 -10.675 1.00 2.52 H new ATOM 0 HD3 LYS A 36 11.293 -9.085 -10.813 1.00 2.52 H new ATOM 0 HE2 LYS A 36 12.142 -9.566 -8.517 1.00 3.04 H new ATOM 0 HE3 LYS A 36 11.033 -10.917 -8.395 1.00 3.04 H new ATOM 0 HZ1 LYS A 36 13.233 -11.644 -9.037 1.00 3.62 H new ATOM 0 HZ2 LYS A 36 12.131 -11.953 -10.291 1.00 3.62 H new ATOM 0 HZ3 LYS A 36 13.205 -10.643 -10.409 1.00 3.62 H new ATOM 116 N PRO A 37 8.566 -7.748 -5.819 1.00 1.50 N ATOM 117 CA PRO A 37 9.236 -6.774 -4.970 1.00 1.33 C ATOM 118 C PRO A 37 10.760 -6.867 -5.078 1.00 1.14 C ATOM 119 O PRO A 37 11.343 -7.946 -4.935 1.00 1.27 O ATOM 120 CB PRO A 37 8.768 -7.165 -3.572 1.00 1.52 C ATOM 121 CG PRO A 37 8.487 -8.632 -3.635 1.00 1.74 C ATOM 122 CD PRO A 37 8.284 -8.996 -5.089 1.00 1.75 C ATOM 0 HA PRO A 37 8.998 -5.746 -5.244 1.00 1.33 H new ATOM 0 HB2 PRO A 37 9.533 -6.944 -2.827 1.00 1.52 H new ATOM 0 HB3 PRO A 37 7.876 -6.607 -3.288 1.00 1.52 H new ATOM 0 HG2 PRO A 37 9.315 -9.199 -3.210 1.00 1.74 H new ATOM 0 HG3 PRO A 37 7.600 -8.878 -3.051 1.00 1.74 H new ATOM 0 HD2 PRO A 37 8.956 -9.797 -5.396 1.00 1.75 H new ATOM 0 HD3 PRO A 37 7.268 -9.344 -5.274 1.00 1.75 H new ATOM 130 N THR A 38 11.394 -5.734 -5.341 1.00 0.97 N ATOM 131 CA THR A 38 12.841 -5.675 -5.488 1.00 0.83 C ATOM 132 C THR A 38 13.425 -4.588 -4.579 1.00 0.72 C ATOM 133 O THR A 38 12.666 -3.838 -3.965 1.00 0.65 O ATOM 134 CB THR A 38 13.220 -5.389 -6.957 1.00 0.79 C ATOM 135 OG1 THR A 38 12.536 -4.214 -7.415 1.00 0.85 O ATOM 136 CG2 THR A 38 12.867 -6.572 -7.852 1.00 0.95 C ATOM 0 H THR A 38 10.925 -4.836 -5.458 1.00 0.97 H new ATOM 0 HA THR A 38 13.256 -6.640 -5.197 1.00 0.83 H new ATOM 0 HB THR A 38 14.297 -5.229 -7.008 1.00 0.79 H new ATOM 0 HG1 THR A 38 12.781 -4.035 -8.347 1.00 0.85 H new ATOM 0 HG21 THR A 38 13.144 -6.345 -8.881 1.00 0.95 H new ATOM 0 HG22 THR A 38 13.409 -7.456 -7.517 1.00 0.95 H new ATOM 0 HG23 THR A 38 11.795 -6.762 -7.798 1.00 0.95 H new ATOM 144 N PRO A 39 14.763 -4.491 -4.442 1.00 0.74 N ATOM 145 CA PRO A 39 15.384 -3.417 -3.656 1.00 0.70 C ATOM 146 C PRO A 39 14.935 -2.032 -4.113 1.00 0.62 C ATOM 147 O PRO A 39 14.684 -1.154 -3.292 1.00 0.56 O ATOM 148 CB PRO A 39 16.879 -3.610 -3.897 1.00 0.78 C ATOM 149 CG PRO A 39 17.018 -5.057 -4.227 1.00 0.87 C ATOM 150 CD PRO A 39 15.770 -5.423 -4.985 1.00 0.83 C ATOM 0 HA PRO A 39 15.106 -3.470 -2.603 1.00 0.70 H new ATOM 0 HB2 PRO A 39 17.234 -2.981 -4.713 1.00 0.78 H new ATOM 0 HB3 PRO A 39 17.461 -3.346 -3.014 1.00 0.78 H new ATOM 0 HG2 PRO A 39 17.909 -5.238 -4.829 1.00 0.87 H new ATOM 0 HG3 PRO A 39 17.117 -5.657 -3.323 1.00 0.87 H new ATOM 0 HD2 PRO A 39 15.899 -5.295 -6.060 1.00 0.83 H new ATOM 0 HD3 PRO A 39 15.488 -6.463 -4.819 1.00 0.83 H new ATOM 158 N ASP A 40 14.804 -1.852 -5.424 1.00 0.66 N ATOM 159 CA ASP A 40 14.334 -0.583 -5.980 1.00 0.64 C ATOM 160 C ASP A 40 12.973 -0.226 -5.400 1.00 0.58 C ATOM 161 O ASP A 40 12.705 0.928 -5.061 1.00 0.58 O ATOM 162 CB ASP A 40 14.235 -0.664 -7.503 1.00 0.72 C ATOM 163 CG ASP A 40 15.571 -0.927 -8.158 1.00 1.44 C ATOM 164 OD1 ASP A 40 16.339 0.034 -8.359 1.00 2.22 O ATOM 165 OD2 ASP A 40 15.862 -2.099 -8.474 1.00 2.15 O ATOM 0 H ASP A 40 15.016 -2.566 -6.121 1.00 0.66 H new ATOM 0 HA ASP A 40 15.054 0.191 -5.714 1.00 0.64 H new ATOM 0 HB2 ASP A 40 13.538 -1.456 -7.777 1.00 0.72 H new ATOM 0 HB3 ASP A 40 13.824 0.269 -7.887 1.00 0.72 H new ATOM 170 N TYR A 41 12.121 -1.235 -5.286 1.00 0.57 N ATOM 171 CA TYR A 41 10.811 -1.088 -4.669 1.00 0.54 C ATOM 172 C TYR A 41 10.963 -0.594 -3.229 1.00 0.46 C ATOM 173 O TYR A 41 10.220 0.277 -2.777 1.00 0.43 O ATOM 174 CB TYR A 41 10.077 -2.439 -4.687 1.00 0.61 C ATOM 175 CG TYR A 41 8.579 -2.357 -4.477 1.00 0.63 C ATOM 176 CD1 TYR A 41 8.034 -1.664 -3.405 1.00 0.64 C ATOM 177 CD2 TYR A 41 7.709 -2.984 -5.356 1.00 0.83 C ATOM 178 CE1 TYR A 41 6.670 -1.595 -3.219 1.00 0.69 C ATOM 179 CE2 TYR A 41 6.343 -2.918 -5.174 1.00 0.88 C ATOM 180 CZ TYR A 41 5.830 -2.221 -4.103 1.00 0.73 C ATOM 181 OH TYR A 41 4.473 -2.149 -3.914 1.00 0.81 O ATOM 0 H TYR A 41 12.319 -2.179 -5.619 1.00 0.57 H new ATOM 0 HA TYR A 41 10.230 -0.357 -5.232 1.00 0.54 H new ATOM 0 HB2 TYR A 41 10.268 -2.927 -5.643 1.00 0.61 H new ATOM 0 HB3 TYR A 41 10.503 -3.077 -3.913 1.00 0.61 H new ATOM 0 HD1 TYR A 41 8.690 -1.170 -2.704 1.00 0.64 H new ATOM 0 HD2 TYR A 41 8.107 -3.533 -6.197 1.00 0.83 H new ATOM 0 HE1 TYR A 41 6.264 -1.050 -2.380 1.00 0.69 H new ATOM 0 HE2 TYR A 41 5.679 -3.411 -5.869 1.00 0.88 H new ATOM 0 HH TYR A 41 4.188 -2.867 -3.311 1.00 0.81 H new ATOM 191 N LEU A 42 11.975 -1.105 -2.543 1.00 0.44 N ATOM 192 CA LEU A 42 12.139 -0.856 -1.117 1.00 0.39 C ATOM 193 C LEU A 42 12.778 0.505 -0.862 1.00 0.37 C ATOM 194 O LEU A 42 12.414 1.194 0.086 1.00 0.34 O ATOM 195 CB LEU A 42 12.989 -1.955 -0.472 1.00 0.43 C ATOM 196 CG LEU A 42 13.266 -1.771 1.023 1.00 0.41 C ATOM 197 CD1 LEU A 42 11.970 -1.742 1.812 1.00 0.37 C ATOM 198 CD2 LEU A 42 14.181 -2.868 1.538 1.00 0.48 C ATOM 0 H LEU A 42 12.698 -1.697 -2.952 1.00 0.44 H new ATOM 0 HA LEU A 42 11.146 -0.861 -0.667 1.00 0.39 H new ATOM 0 HB2 LEU A 42 12.488 -2.912 -0.617 1.00 0.43 H new ATOM 0 HB3 LEU A 42 13.942 -2.011 -0.998 1.00 0.43 H new ATOM 0 HG LEU A 42 13.769 -0.813 1.159 1.00 0.41 H new ATOM 0 HD11 LEU A 42 12.192 -1.610 2.871 1.00 0.37 H new ATOM 0 HD12 LEU A 42 11.351 -0.914 1.465 1.00 0.37 H new ATOM 0 HD13 LEU A 42 11.435 -2.680 1.667 1.00 0.37 H new ATOM 0 HD21 LEU A 42 14.365 -2.719 2.602 1.00 0.48 H new ATOM 0 HD22 LEU A 42 13.708 -3.838 1.384 1.00 0.48 H new ATOM 0 HD23 LEU A 42 15.127 -2.836 0.998 1.00 0.48 H new ATOM 210 N MET A 43 13.704 0.907 -1.726 1.00 0.40 N ATOM 211 CA MET A 43 14.421 2.163 -1.531 1.00 0.40 C ATOM 212 C MET A 43 13.472 3.324 -1.743 1.00 0.37 C ATOM 213 O MET A 43 13.570 4.362 -1.090 1.00 0.36 O ATOM 214 CB MET A 43 15.617 2.283 -2.484 1.00 0.47 C ATOM 215 CG MET A 43 16.938 1.808 -1.917 1.00 0.63 C ATOM 216 SD MET A 43 17.169 0.016 -1.984 1.00 0.85 S ATOM 217 CE MET A 43 16.308 -0.534 -0.511 1.00 0.55 C ATOM 0 H MET A 43 13.974 0.387 -2.561 1.00 0.40 H new ATOM 0 HA MET A 43 14.806 2.181 -0.512 1.00 0.40 H new ATOM 0 HB2 MET A 43 15.401 1.713 -3.388 1.00 0.47 H new ATOM 0 HB3 MET A 43 15.721 3.326 -2.782 1.00 0.47 H new ATOM 0 HG2 MET A 43 17.749 2.289 -2.463 1.00 0.63 H new ATOM 0 HG3 MET A 43 17.014 2.135 -0.880 1.00 0.63 H new ATOM 0 HE1 MET A 43 15.878 -1.520 -0.688 1.00 0.55 H new ATOM 0 HE2 MET A 43 17.009 -0.588 0.322 1.00 0.55 H new ATOM 0 HE3 MET A 43 15.512 0.171 -0.270 1.00 0.55 H new ATOM 227 N GLN A 44 12.528 3.115 -2.641 1.00 0.36 N ATOM 228 CA GLN A 44 11.516 4.117 -2.920 1.00 0.35 C ATOM 229 C GLN A 44 10.476 4.126 -1.808 1.00 0.30 C ATOM 230 O GLN A 44 9.981 5.181 -1.423 1.00 0.30 O ATOM 231 CB GLN A 44 10.862 3.858 -4.275 1.00 0.42 C ATOM 232 CG GLN A 44 11.817 4.027 -5.444 1.00 0.52 C ATOM 233 CD GLN A 44 11.204 3.592 -6.756 1.00 0.64 C ATOM 234 OE1 GLN A 44 10.587 4.384 -7.460 1.00 0.91 O ATOM 235 NE2 GLN A 44 11.373 2.325 -7.090 1.00 0.75 N ATOM 0 H GLN A 44 12.440 2.260 -3.190 1.00 0.36 H new ATOM 0 HA GLN A 44 11.991 5.097 -2.960 1.00 0.35 H new ATOM 0 HB2 GLN A 44 10.458 2.846 -4.288 1.00 0.42 H new ATOM 0 HB3 GLN A 44 10.020 4.539 -4.401 1.00 0.42 H new ATOM 0 HG2 GLN A 44 12.118 5.072 -5.516 1.00 0.52 H new ATOM 0 HG3 GLN A 44 12.721 3.447 -5.258 1.00 0.52 H new ATOM 0 HE21 GLN A 44 11.894 1.700 -6.474 1.00 0.75 H new ATOM 0 HE22 GLN A 44 10.983 1.971 -7.964 1.00 0.75 H new ATOM 244 N LEU A 45 10.164 2.945 -1.275 1.00 0.27 N ATOM 245 CA LEU A 45 9.248 2.829 -0.145 1.00 0.25 C ATOM 246 C LEU A 45 9.770 3.573 1.070 1.00 0.23 C ATOM 247 O LEU A 45 9.002 4.191 1.806 1.00 0.23 O ATOM 248 CB LEU A 45 9.050 1.367 0.239 1.00 0.29 C ATOM 249 CG LEU A 45 7.990 0.606 -0.547 1.00 0.32 C ATOM 250 CD1 LEU A 45 7.929 -0.837 -0.074 1.00 0.38 C ATOM 251 CD2 LEU A 45 6.637 1.271 -0.380 1.00 0.31 C ATOM 0 H LEU A 45 10.534 2.055 -1.609 1.00 0.27 H new ATOM 0 HA LEU A 45 8.300 3.267 -0.458 1.00 0.25 H new ATOM 0 HB2 LEU A 45 10.002 0.849 0.121 1.00 0.29 H new ATOM 0 HB3 LEU A 45 8.791 1.322 1.297 1.00 0.29 H new ATOM 0 HG LEU A 45 8.256 0.619 -1.604 1.00 0.32 H new ATOM 0 HD11 LEU A 45 7.169 -1.374 -0.641 1.00 0.38 H new ATOM 0 HD12 LEU A 45 8.898 -1.311 -0.227 1.00 0.38 H new ATOM 0 HD13 LEU A 45 7.676 -0.862 0.986 1.00 0.38 H new ATOM 0 HD21 LEU A 45 5.887 0.718 -0.946 1.00 0.31 H new ATOM 0 HD22 LEU A 45 6.363 1.278 0.675 1.00 0.31 H new ATOM 0 HD23 LEU A 45 6.687 2.296 -0.748 1.00 0.31 H new ATOM 263 N MET A 46 11.081 3.518 1.273 1.00 0.26 N ATOM 264 CA MET A 46 11.685 4.126 2.447 1.00 0.28 C ATOM 265 C MET A 46 11.518 5.629 2.400 1.00 0.27 C ATOM 266 O MET A 46 11.381 6.277 3.433 1.00 0.41 O ATOM 267 CB MET A 46 13.168 3.785 2.557 1.00 0.33 C ATOM 268 CG MET A 46 13.454 2.306 2.744 1.00 0.39 C ATOM 269 SD MET A 46 15.169 1.986 3.202 1.00 0.49 S ATOM 270 CE MET A 46 16.039 2.900 1.929 1.00 0.49 C ATOM 0 H MET A 46 11.741 3.061 0.643 1.00 0.26 H new ATOM 0 HA MET A 46 11.175 3.724 3.323 1.00 0.28 H new ATOM 0 HB2 MET A 46 13.677 4.131 1.657 1.00 0.33 H new ATOM 0 HB3 MET A 46 13.595 4.335 3.396 1.00 0.33 H new ATOM 0 HG2 MET A 46 12.795 1.907 3.515 1.00 0.39 H new ATOM 0 HG3 MET A 46 13.223 1.775 1.821 1.00 0.39 H new ATOM 0 HE1 MET A 46 16.771 2.250 1.451 1.00 0.49 H new ATOM 0 HE2 MET A 46 15.327 3.254 1.184 1.00 0.49 H new ATOM 0 HE3 MET A 46 16.549 3.753 2.377 1.00 0.49 H new ATOM 280 N ASN A 47 11.494 6.184 1.196 1.00 0.24 N ATOM 281 CA ASN A 47 11.376 7.622 1.031 1.00 0.30 C ATOM 282 C ASN A 47 9.905 8.032 1.039 1.00 0.26 C ATOM 283 O ASN A 47 9.560 9.129 1.475 1.00 0.27 O ATOM 284 CB ASN A 47 12.056 8.054 -0.274 1.00 0.42 C ATOM 285 CG ASN A 47 12.068 9.559 -0.467 1.00 0.80 C ATOM 286 OD1 ASN A 47 11.186 10.122 -1.112 1.00 1.61 O ATOM 287 ND2 ASN A 47 13.077 10.219 0.083 1.00 1.42 N ATOM 0 H ASN A 47 11.555 5.660 0.323 1.00 0.24 H new ATOM 0 HA ASN A 47 11.874 8.122 1.862 1.00 0.30 H new ATOM 0 HB2 ASN A 47 13.081 7.684 -0.283 1.00 0.42 H new ATOM 0 HB3 ASN A 47 11.542 7.589 -1.116 1.00 0.42 H new ATOM 0 HD21 ASN A 47 13.142 11.232 -0.022 1.00 1.42 H new ATOM 0 HD22 ASN A 47 13.789 9.714 0.611 1.00 1.42 H new ATOM 294 N ASP A 48 9.035 7.115 0.610 1.00 0.24 N ATOM 295 CA ASP A 48 7.595 7.366 0.593 1.00 0.24 C ATOM 296 C ASP A 48 7.072 7.400 2.024 1.00 0.25 C ATOM 297 O ASP A 48 6.318 8.295 2.413 1.00 0.30 O ATOM 298 CB ASP A 48 6.844 6.271 -0.187 1.00 0.25 C ATOM 299 CG ASP A 48 6.922 6.401 -1.703 1.00 0.29 C ATOM 300 OD1 ASP A 48 7.289 7.481 -2.209 1.00 0.93 O ATOM 301 OD2 ASP A 48 6.570 5.421 -2.404 1.00 0.74 O ATOM 0 H ASP A 48 9.304 6.192 0.270 1.00 0.24 H new ATOM 0 HA ASP A 48 7.424 8.323 0.099 1.00 0.24 H new ATOM 0 HB2 ASP A 48 7.244 5.299 0.102 1.00 0.25 H new ATOM 0 HB3 ASP A 48 5.796 6.285 0.112 1.00 0.25 H new ATOM 306 N LYS A 49 7.499 6.407 2.803 1.00 0.22 N ATOM 307 CA LYS A 49 7.127 6.288 4.210 1.00 0.27 C ATOM 308 C LYS A 49 7.613 7.500 5.009 1.00 0.32 C ATOM 309 O LYS A 49 7.016 7.875 6.019 1.00 0.44 O ATOM 310 CB LYS A 49 7.717 4.995 4.789 1.00 0.31 C ATOM 311 CG LYS A 49 6.837 4.319 5.836 1.00 0.59 C ATOM 312 CD LYS A 49 6.785 5.103 7.137 1.00 0.92 C ATOM 313 CE LYS A 49 8.102 5.020 7.893 1.00 1.45 C ATOM 314 NZ LYS A 49 8.047 5.748 9.187 1.00 2.10 N ATOM 0 H LYS A 49 8.113 5.662 2.475 1.00 0.22 H new ATOM 0 HA LYS A 49 6.040 6.253 4.283 1.00 0.27 H new ATOM 0 HB2 LYS A 49 7.896 4.294 3.974 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.686 5.219 5.235 1.00 0.31 H new ATOM 0 HG2 LYS A 49 5.827 4.207 5.441 1.00 0.59 H new ATOM 0 HG3 LYS A 49 7.216 3.316 6.033 1.00 0.59 H new ATOM 0 HD2 LYS A 49 6.552 6.146 6.925 1.00 0.92 H new ATOM 0 HD3 LYS A 49 5.980 4.717 7.763 1.00 0.92 H new ATOM 0 HE2 LYS A 49 8.350 3.974 8.075 1.00 1.45 H new ATOM 0 HE3 LYS A 49 8.900 5.434 7.277 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 8.964 5.667 9.670 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 7.836 6.751 9.012 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 7.303 5.336 9.785 1.00 2.10 H new ATOM 328 N LYS A 50 8.674 8.137 4.538 1.00 0.30 N ATOM 329 CA LYS A 50 9.215 9.300 5.224 1.00 0.37 C ATOM 330 C LYS A 50 8.477 10.554 4.782 1.00 0.39 C ATOM 331 O LYS A 50 8.132 11.403 5.603 1.00 0.43 O ATOM 332 CB LYS A 50 10.715 9.448 4.966 1.00 0.42 C ATOM 333 CG LYS A 50 11.557 8.380 5.645 1.00 1.14 C ATOM 334 CD LYS A 50 13.043 8.596 5.404 1.00 1.67 C ATOM 335 CE LYS A 50 13.535 9.895 6.026 1.00 2.35 C ATOM 336 NZ LYS A 50 14.994 10.093 5.820 1.00 3.05 N ATOM 0 H LYS A 50 9.174 7.871 3.690 1.00 0.30 H new ATOM 0 HA LYS A 50 9.073 9.160 6.296 1.00 0.37 H new ATOM 0 HB2 LYS A 50 10.896 9.413 3.892 1.00 0.42 H new ATOM 0 HB3 LYS A 50 11.040 10.429 5.312 1.00 0.42 H new ATOM 0 HG2 LYS A 50 11.358 8.387 6.717 1.00 1.14 H new ATOM 0 HG3 LYS A 50 11.267 7.397 5.273 1.00 1.14 H new ATOM 0 HD2 LYS A 50 13.604 7.759 5.820 1.00 1.67 H new ATOM 0 HD3 LYS A 50 13.239 8.610 4.332 1.00 1.67 H new ATOM 0 HE2 LYS A 50 12.990 10.734 5.592 1.00 2.35 H new ATOM 0 HE3 LYS A 50 13.317 9.891 7.094 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 15.288 10.989 6.259 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 15.516 9.306 6.256 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 15.200 10.123 4.801 1.00 3.05 H new ATOM 350 N LEU A 51 8.223 10.651 3.479 1.00 0.38 N ATOM 351 CA LEU A 51 7.463 11.761 2.921 1.00 0.44 C ATOM 352 C LEU A 51 6.098 11.888 3.581 1.00 0.42 C ATOM 353 O LEU A 51 5.677 12.990 3.930 1.00 0.47 O ATOM 354 CB LEU A 51 7.301 11.592 1.409 1.00 0.48 C ATOM 355 CG LEU A 51 8.463 12.126 0.572 1.00 0.70 C ATOM 356 CD1 LEU A 51 8.374 11.615 -0.852 1.00 1.10 C ATOM 357 CD2 LEU A 51 8.458 13.644 0.581 1.00 1.22 C ATOM 0 H LEU A 51 8.536 9.969 2.788 1.00 0.38 H new ATOM 0 HA LEU A 51 8.021 12.676 3.120 1.00 0.44 H new ATOM 0 HB2 LEU A 51 7.171 10.532 1.189 1.00 0.48 H new ATOM 0 HB3 LEU A 51 6.386 12.097 1.098 1.00 0.48 H new ATOM 0 HG LEU A 51 9.396 11.770 1.010 1.00 0.70 H new ATOM 0 HD11 LEU A 51 9.210 12.006 -1.432 1.00 1.10 H new ATOM 0 HD12 LEU A 51 8.412 10.526 -0.851 1.00 1.10 H new ATOM 0 HD13 LEU A 51 7.436 11.945 -1.299 1.00 1.10 H new ATOM 0 HD21 LEU A 51 9.290 14.014 -0.018 1.00 1.22 H new ATOM 0 HD22 LEU A 51 7.519 14.007 0.162 1.00 1.22 H new ATOM 0 HD23 LEU A 51 8.561 14.002 1.605 1.00 1.22 H new ATOM 369 N MET A 52 5.415 10.767 3.781 1.00 0.39 N ATOM 370 CA MET A 52 4.091 10.784 4.390 1.00 0.37 C ATOM 371 C MET A 52 4.178 11.168 5.865 1.00 0.41 C ATOM 372 O MET A 52 3.277 11.809 6.404 1.00 0.47 O ATOM 373 CB MET A 52 3.420 9.412 4.246 1.00 0.33 C ATOM 374 CG MET A 52 4.120 8.303 5.013 1.00 1.29 C ATOM 375 SD MET A 52 3.345 6.693 4.786 1.00 1.25 S ATOM 376 CE MET A 52 3.525 6.492 3.015 1.00 0.31 C ATOM 0 H MET A 52 5.755 9.838 3.531 1.00 0.39 H new ATOM 0 HA MET A 52 3.489 11.530 3.872 1.00 0.37 H new ATOM 0 HB2 MET A 52 2.389 9.484 4.591 1.00 0.33 H new ATOM 0 HB3 MET A 52 3.385 9.144 3.190 1.00 0.33 H new ATOM 0 HG2 MET A 52 5.160 8.248 4.692 1.00 1.29 H new ATOM 0 HG3 MET A 52 4.126 8.551 6.074 1.00 1.29 H new ATOM 0 HE1 MET A 52 2.542 6.516 2.544 1.00 0.31 H new ATOM 0 HE2 MET A 52 4.138 7.301 2.617 1.00 0.31 H new ATOM 0 HE3 MET A 52 4.005 5.536 2.804 1.00 0.31 H new ATOM 386 N SER A 53 5.276 10.786 6.508 1.00 0.40 N ATOM 387 CA SER A 53 5.475 11.075 7.919 1.00 0.47 C ATOM 388 C SER A 53 5.790 12.554 8.123 1.00 0.50 C ATOM 389 O SER A 53 5.654 13.084 9.227 1.00 0.62 O ATOM 390 CB SER A 53 6.601 10.202 8.483 1.00 0.52 C ATOM 391 OG SER A 53 6.643 10.259 9.903 1.00 1.15 O ATOM 0 H SER A 53 6.042 10.274 6.071 1.00 0.40 H new ATOM 0 HA SER A 53 4.554 10.845 8.455 1.00 0.47 H new ATOM 0 HB2 SER A 53 6.457 9.170 8.163 1.00 0.52 H new ATOM 0 HB3 SER A 53 7.557 10.532 8.076 1.00 0.52 H new ATOM 0 HG SER A 53 7.371 9.691 10.232 1.00 1.15 H new ATOM 397 N SER A 54 6.191 13.221 7.050 1.00 0.49 N ATOM 398 CA SER A 54 6.498 14.637 7.104 1.00 0.53 C ATOM 399 C SER A 54 5.261 15.446 6.728 1.00 0.53 C ATOM 400 O SER A 54 5.290 16.677 6.688 1.00 0.53 O ATOM 401 CB SER A 54 7.658 14.959 6.155 1.00 0.60 C ATOM 402 OG SER A 54 8.067 16.312 6.274 1.00 1.30 O ATOM 0 H SER A 54 6.311 12.799 6.129 1.00 0.49 H new ATOM 0 HA SER A 54 6.797 14.902 8.118 1.00 0.53 H new ATOM 0 HB2 SER A 54 8.501 14.303 6.373 1.00 0.60 H new ATOM 0 HB3 SER A 54 7.355 14.758 5.127 1.00 0.60 H new ATOM 0 HG SER A 54 7.283 16.878 6.432 1.00 1.30 H new ATOM 408 N LEU A 55 4.177 14.738 6.445 1.00 0.54 N ATOM 409 CA LEU A 55 2.918 15.366 6.087 1.00 0.57 C ATOM 410 C LEU A 55 1.870 15.109 7.163 1.00 0.65 C ATOM 411 O LEU A 55 1.365 13.993 7.289 1.00 0.65 O ATOM 412 CB LEU A 55 2.413 14.822 4.749 1.00 0.51 C ATOM 413 CG LEU A 55 3.335 15.051 3.550 1.00 0.53 C ATOM 414 CD1 LEU A 55 2.800 14.321 2.329 1.00 0.56 C ATOM 415 CD2 LEU A 55 3.478 16.537 3.257 1.00 0.64 C ATOM 0 H LEU A 55 4.147 13.719 6.457 1.00 0.54 H new ATOM 0 HA LEU A 55 3.087 16.439 5.999 1.00 0.57 H new ATOM 0 HB2 LEU A 55 2.243 13.750 4.854 1.00 0.51 H new ATOM 0 HB3 LEU A 55 1.447 15.278 4.533 1.00 0.51 H new ATOM 0 HG LEU A 55 4.321 14.654 3.793 1.00 0.53 H new ATOM 0 HD11 LEU A 55 3.465 14.492 1.482 1.00 0.56 H new ATOM 0 HD12 LEU A 55 2.746 13.253 2.538 1.00 0.56 H new ATOM 0 HD13 LEU A 55 1.804 14.694 2.089 1.00 0.56 H new ATOM 0 HD21 LEU A 55 4.138 16.677 2.401 1.00 0.64 H new ATOM 0 HD22 LEU A 55 2.498 16.960 3.033 1.00 0.64 H new ATOM 0 HD23 LEU A 55 3.900 17.040 4.127 1.00 0.64 H new ATOM 427 N PRO A 56 1.515 16.136 7.945 1.00 0.81 N ATOM 428 CA PRO A 56 0.483 16.018 8.976 1.00 0.94 C ATOM 429 C PRO A 56 -0.912 16.006 8.359 1.00 0.88 C ATOM 430 O PRO A 56 -1.917 15.800 9.039 1.00 1.19 O ATOM 431 CB PRO A 56 0.694 17.264 9.832 1.00 1.14 C ATOM 432 CG PRO A 56 1.293 18.267 8.909 1.00 1.26 C ATOM 433 CD PRO A 56 2.085 17.495 7.886 1.00 0.98 C ATOM 0 HA PRO A 56 0.557 15.092 9.547 1.00 0.94 H new ATOM 0 HB2 PRO A 56 -0.248 17.622 10.247 1.00 1.14 H new ATOM 0 HB3 PRO A 56 1.355 17.058 10.674 1.00 1.14 H new ATOM 0 HG2 PRO A 56 0.517 18.863 8.429 1.00 1.26 H new ATOM 0 HG3 PRO A 56 1.935 18.959 9.454 1.00 1.26 H new ATOM 0 HD2 PRO A 56 1.982 17.928 6.891 1.00 0.98 H new ATOM 0 HD3 PRO A 56 3.149 17.492 8.124 1.00 0.98 H new ATOM 441 N ASN A 57 -0.950 16.229 7.054 1.00 0.63 N ATOM 442 CA ASN A 57 -2.191 16.205 6.300 1.00 0.62 C ATOM 443 C ASN A 57 -2.409 14.813 5.719 1.00 0.57 C ATOM 444 O ASN A 57 -3.539 14.410 5.452 1.00 0.59 O ATOM 445 CB ASN A 57 -2.156 17.258 5.185 1.00 0.68 C ATOM 446 CG ASN A 57 -1.059 17.003 4.168 1.00 1.32 C ATOM 447 OD1 ASN A 57 0.104 17.334 4.397 1.00 2.22 O ATOM 448 ND2 ASN A 57 -1.423 16.448 3.022 1.00 1.73 N ATOM 0 H ASN A 57 -0.124 16.431 6.491 1.00 0.63 H new ATOM 0 HA ASN A 57 -3.021 16.443 6.966 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -3.120 17.274 4.676 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -2.013 18.244 5.627 1.00 0.68 H new ATOM 0 HD21 ASN A 57 -0.729 16.282 2.293 1.00 1.73 H new ATOM 0 HD22 ASN A 57 -2.397 16.187 2.868 1.00 1.73 H new ATOM 455 N PHE A 58 -1.306 14.086 5.535 1.00 0.62 N ATOM 456 CA PHE A 58 -1.339 12.724 5.005 1.00 0.70 C ATOM 457 C PHE A 58 -2.265 11.827 5.817 1.00 0.90 C ATOM 458 O PHE A 58 -3.108 11.127 5.255 1.00 1.77 O ATOM 459 CB PHE A 58 0.068 12.125 4.981 1.00 0.69 C ATOM 460 CG PHE A 58 0.087 10.655 4.682 1.00 0.65 C ATOM 461 CD1 PHE A 58 -0.060 10.198 3.385 1.00 0.89 C ATOM 462 CD2 PHE A 58 0.251 9.730 5.701 1.00 1.13 C ATOM 463 CE1 PHE A 58 -0.047 8.846 3.106 1.00 0.90 C ATOM 464 CE2 PHE A 58 0.264 8.378 5.429 1.00 1.15 C ATOM 465 CZ PHE A 58 0.115 7.935 4.129 1.00 0.69 C ATOM 0 H PHE A 58 -0.368 14.424 5.749 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.726 12.780 3.988 1.00 0.70 H new ATOM 0 HB2 PHE A 58 0.664 12.648 4.233 1.00 0.69 H new ATOM 0 HB3 PHE A 58 0.544 12.298 5.946 1.00 0.69 H new ATOM 0 HD1 PHE A 58 -0.187 10.907 2.581 1.00 0.89 H new ATOM 0 HD2 PHE A 58 0.370 10.072 6.719 1.00 1.13 H new ATOM 0 HE1 PHE A 58 -0.163 8.502 2.089 1.00 0.90 H new ATOM 0 HE2 PHE A 58 0.391 7.666 6.231 1.00 1.15 H new ATOM 0 HZ PHE A 58 0.125 6.877 3.914 1.00 0.69 H new ATOM 475 N SER A 59 -2.088 11.847 7.130 1.00 0.91 N ATOM 476 CA SER A 59 -2.877 11.022 8.035 1.00 1.02 C ATOM 477 C SER A 59 -4.381 11.202 7.824 1.00 1.10 C ATOM 478 O SER A 59 -5.157 10.261 8.012 1.00 1.84 O ATOM 479 CB SER A 59 -2.493 11.356 9.475 1.00 1.21 C ATOM 480 OG SER A 59 -2.378 12.757 9.653 1.00 1.84 O ATOM 0 H SER A 59 -1.396 12.433 7.597 1.00 0.91 H new ATOM 0 HA SER A 59 -2.656 9.976 7.822 1.00 1.02 H new ATOM 0 HB2 SER A 59 -3.244 10.959 10.158 1.00 1.21 H new ATOM 0 HB3 SER A 59 -1.548 10.874 9.725 1.00 1.21 H new ATOM 0 HG SER A 59 -2.133 12.950 10.582 1.00 1.84 H new ATOM 486 N GLY A 60 -4.794 12.398 7.421 1.00 0.91 N ATOM 487 CA GLY A 60 -6.201 12.655 7.212 1.00 0.87 C ATOM 488 C GLY A 60 -6.662 12.323 5.808 1.00 0.66 C ATOM 489 O GLY A 60 -7.802 11.901 5.617 1.00 0.73 O ATOM 0 H GLY A 60 -4.179 13.191 7.236 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -6.781 12.071 7.926 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -6.407 13.706 7.417 1.00 0.87 H new ATOM 493 N ILE A 61 -5.790 12.500 4.820 1.00 0.50 N ATOM 494 CA ILE A 61 -6.187 12.276 3.436 1.00 0.54 C ATOM 495 C ILE A 61 -6.194 10.805 3.056 1.00 0.73 C ATOM 496 O ILE A 61 -7.034 10.387 2.268 1.00 1.81 O ATOM 497 CB ILE A 61 -5.342 13.065 2.409 1.00 0.58 C ATOM 498 CG1 ILE A 61 -3.837 12.909 2.668 1.00 0.64 C ATOM 499 CG2 ILE A 61 -5.748 14.529 2.413 1.00 0.79 C ATOM 500 CD1 ILE A 61 -2.971 13.687 1.700 1.00 0.78 C ATOM 0 H ILE A 61 -4.821 12.793 4.948 1.00 0.50 H new ATOM 0 HA ILE A 61 -7.207 12.657 3.391 1.00 0.54 H new ATOM 0 HB ILE A 61 -5.539 12.649 1.421 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -3.616 13.236 3.684 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -3.574 11.853 2.609 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -5.147 15.075 1.686 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -6.802 14.615 2.150 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -5.587 14.949 3.406 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -1.920 13.529 1.944 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -3.163 13.344 0.683 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -3.205 14.749 1.775 1.00 0.78 H new ATOM 512 N PHE A 62 -5.293 9.995 3.603 1.00 0.58 N ATOM 513 CA PHE A 62 -5.238 8.592 3.226 1.00 0.50 C ATOM 514 C PHE A 62 -5.314 7.714 4.470 1.00 0.51 C ATOM 515 O PHE A 62 -4.604 7.946 5.450 1.00 0.76 O ATOM 516 CB PHE A 62 -3.945 8.303 2.464 1.00 0.50 C ATOM 517 CG PHE A 62 -3.761 9.144 1.231 1.00 0.48 C ATOM 518 CD1 PHE A 62 -4.725 9.172 0.235 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.617 9.898 1.064 1.00 0.63 C ATOM 520 CE1 PHE A 62 -4.547 9.938 -0.898 1.00 0.53 C ATOM 521 CE2 PHE A 62 -2.437 10.667 -0.066 1.00 0.68 C ATOM 522 CZ PHE A 62 -3.399 10.686 -1.047 1.00 0.59 C ATOM 0 H PHE A 62 -4.603 10.282 4.297 1.00 0.58 H new ATOM 0 HA PHE A 62 -6.087 8.368 2.580 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -3.098 8.464 3.131 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -3.930 7.251 2.179 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -5.626 8.587 0.348 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -1.854 9.885 1.828 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -5.305 9.952 -1.667 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -1.539 11.255 -0.180 1.00 0.68 H new ATOM 0 HZ PHE A 62 -3.256 11.286 -1.933 1.00 0.59 H new ATOM 532 N THR A 63 -6.179 6.712 4.426 1.00 0.34 N ATOM 533 CA THR A 63 -6.445 5.873 5.584 1.00 0.38 C ATOM 534 C THR A 63 -5.521 4.651 5.636 1.00 0.30 C ATOM 535 O THR A 63 -4.783 4.456 6.600 1.00 0.38 O ATOM 536 CB THR A 63 -7.904 5.385 5.565 1.00 0.48 C ATOM 537 OG1 THR A 63 -8.765 6.436 5.112 1.00 0.78 O ATOM 538 CG2 THR A 63 -8.339 4.929 6.949 1.00 0.66 C ATOM 0 H THR A 63 -6.712 6.459 3.594 1.00 0.34 H new ATOM 0 HA THR A 63 -6.260 6.485 6.466 1.00 0.38 H new ATOM 0 HB THR A 63 -7.973 4.538 4.882 1.00 0.48 H new ATOM 0 HG1 THR A 63 -8.667 6.544 4.143 1.00 0.78 H new ATOM 0 HG21 THR A 63 -9.374 4.588 6.911 1.00 0.66 H new ATOM 0 HG22 THR A 63 -7.699 4.111 7.280 1.00 0.66 H new ATOM 0 HG23 THR A 63 -8.256 5.761 7.649 1.00 0.66 H new ATOM 546 N HIS A 64 -5.562 3.844 4.587 1.00 0.26 N ATOM 547 CA HIS A 64 -4.880 2.547 4.602 1.00 0.25 C ATOM 548 C HIS A 64 -3.488 2.625 4.002 1.00 0.25 C ATOM 549 O HIS A 64 -2.691 1.700 4.144 1.00 0.54 O ATOM 550 CB HIS A 64 -5.709 1.477 3.903 1.00 0.33 C ATOM 551 CG HIS A 64 -6.885 1.052 4.715 1.00 0.43 C ATOM 552 ND1 HIS A 64 -6.771 0.280 5.847 1.00 0.86 N ATOM 553 CD2 HIS A 64 -8.197 1.328 4.580 1.00 0.71 C ATOM 554 CE1 HIS A 64 -7.964 0.096 6.375 1.00 0.83 C ATOM 555 NE2 HIS A 64 -8.853 0.724 5.627 1.00 0.68 N ATOM 0 H HIS A 64 -6.054 4.056 3.719 1.00 0.26 H new ATOM 0 HA HIS A 64 -4.768 2.264 5.649 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -6.053 1.858 2.941 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -5.080 0.611 3.697 1.00 0.33 H new ATOM 0 HD1 HIS A 64 -5.898 -0.093 6.220 1.00 0.86 H new ATOM 0 HD2 HIS A 64 -8.650 1.915 3.795 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -8.179 -0.472 7.268 1.00 0.83 H new ATOM 564 N LEU A 65 -3.204 3.739 3.352 1.00 0.32 N ATOM 565 CA LEU A 65 -1.952 3.914 2.626 1.00 0.22 C ATOM 566 C LEU A 65 -0.744 3.767 3.551 1.00 0.20 C ATOM 567 O LEU A 65 0.271 3.188 3.168 1.00 0.24 O ATOM 568 CB LEU A 65 -1.940 5.282 1.930 1.00 0.29 C ATOM 569 CG LEU A 65 -2.715 5.365 0.601 1.00 0.36 C ATOM 570 CD1 LEU A 65 -2.094 4.457 -0.440 1.00 0.84 C ATOM 571 CD2 LEU A 65 -4.179 5.001 0.789 1.00 0.99 C ATOM 0 H LEU A 65 -3.828 4.545 3.310 1.00 0.32 H new ATOM 0 HA LEU A 65 -1.882 3.130 1.872 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.353 6.021 2.616 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -0.904 5.564 1.743 1.00 0.29 H new ATOM 0 HG LEU A 65 -2.657 6.397 0.255 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -2.657 4.531 -1.370 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -1.061 4.758 -0.616 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -2.116 3.427 -0.084 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -4.697 5.070 -0.168 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -4.255 3.983 1.170 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -4.637 5.689 1.500 1.00 0.99 H new ATOM 583 N GLU A 66 -0.864 4.279 4.771 1.00 0.30 N ATOM 584 CA GLU A 66 0.213 4.180 5.750 1.00 0.40 C ATOM 585 C GLU A 66 0.515 2.725 6.103 1.00 0.38 C ATOM 586 O GLU A 66 1.664 2.285 6.032 1.00 0.38 O ATOM 587 CB GLU A 66 -0.148 4.939 7.024 1.00 0.53 C ATOM 588 CG GLU A 66 0.938 4.879 8.084 1.00 0.88 C ATOM 589 CD GLU A 66 0.521 5.517 9.387 1.00 1.12 C ATOM 590 OE1 GLU A 66 -0.119 4.831 10.210 1.00 1.75 O ATOM 591 OE2 GLU A 66 0.844 6.701 9.604 1.00 1.75 O ATOM 0 H GLU A 66 -1.695 4.766 5.106 1.00 0.30 H new ATOM 0 HA GLU A 66 1.101 4.623 5.299 1.00 0.40 H new ATOM 0 HB2 GLU A 66 -0.346 5.981 6.774 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -1.071 4.529 7.435 1.00 0.53 H new ATOM 0 HG2 GLU A 66 1.206 3.838 8.264 1.00 0.88 H new ATOM 0 HG3 GLU A 66 1.832 5.378 7.710 1.00 0.88 H new ATOM 598 N ARG A 67 -0.521 1.977 6.470 1.00 0.42 N ATOM 599 CA ARG A 67 -0.341 0.608 6.943 1.00 0.44 C ATOM 600 C ARG A 67 0.200 -0.270 5.826 1.00 0.39 C ATOM 601 O ARG A 67 0.954 -1.210 6.069 1.00 0.40 O ATOM 602 CB ARG A 67 -1.658 0.026 7.456 1.00 0.54 C ATOM 603 CG ARG A 67 -1.461 -1.110 8.451 1.00 0.74 C ATOM 604 CD ARG A 67 -2.725 -1.932 8.639 1.00 0.86 C ATOM 605 NE ARG A 67 -2.822 -3.011 7.660 1.00 1.08 N ATOM 606 CZ ARG A 67 -3.766 -3.946 7.662 1.00 1.45 C ATOM 607 NH1 ARG A 67 -4.791 -3.870 8.505 1.00 1.71 N ATOM 608 NH2 ARG A 67 -3.694 -4.946 6.795 1.00 2.07 N ATOM 0 H ARG A 67 -1.490 2.294 6.449 1.00 0.42 H new ATOM 0 HA ARG A 67 0.374 0.631 7.765 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -2.239 0.818 7.928 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -2.242 -0.337 6.610 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -0.656 -1.758 8.105 1.00 0.74 H new ATOM 0 HG3 ARG A 67 -1.150 -0.700 9.412 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -2.739 -2.352 9.645 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -3.597 -1.283 8.552 1.00 0.86 H new ATOM 0 HE ARG A 67 -2.117 -3.050 6.924 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -4.858 -3.089 9.158 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -5.511 -4.593 8.499 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -2.919 -4.993 6.134 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -4.414 -5.669 6.789 1.00 2.07 H new ATOM 622 N LEU A 68 -0.174 0.060 4.599 1.00 0.35 N ATOM 623 CA LEU A 68 0.270 -0.693 3.439 1.00 0.34 C ATOM 624 C LEU A 68 1.774 -0.562 3.223 1.00 0.31 C ATOM 625 O LEU A 68 2.390 -1.429 2.617 1.00 0.40 O ATOM 626 CB LEU A 68 -0.508 -0.265 2.196 1.00 0.33 C ATOM 627 CG LEU A 68 -1.861 -0.955 2.029 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.588 -0.413 0.814 1.00 0.37 C ATOM 629 CD2 LEU A 68 -1.676 -2.460 1.912 1.00 0.61 C ATOM 0 H LEU A 68 -0.786 0.847 4.382 1.00 0.35 H new ATOM 0 HA LEU A 68 0.066 -1.747 3.626 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.666 0.813 2.234 1.00 0.33 H new ATOM 0 HB3 LEU A 68 0.100 -0.467 1.314 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.466 -0.748 2.911 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.549 -0.916 0.711 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.750 0.658 0.935 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -1.988 -0.591 -0.078 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -2.648 -2.938 1.794 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -1.054 -2.684 1.046 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -1.193 -2.838 2.813 1.00 0.61 H new ATOM 641 N LEU A 69 2.376 0.492 3.758 1.00 0.27 N ATOM 642 CA LEU A 69 3.830 0.617 3.716 1.00 0.24 C ATOM 643 C LEU A 69 4.423 -0.234 4.827 1.00 0.25 C ATOM 644 O LEU A 69 5.433 -0.928 4.654 1.00 0.26 O ATOM 645 CB LEU A 69 4.294 2.076 3.872 1.00 0.25 C ATOM 646 CG LEU A 69 4.344 2.919 2.588 1.00 0.23 C ATOM 647 CD1 LEU A 69 5.739 3.463 2.360 1.00 0.25 C ATOM 648 CD2 LEU A 69 3.896 2.118 1.381 1.00 0.30 C ATOM 0 H LEU A 69 1.891 1.262 4.219 1.00 0.27 H new ATOM 0 HA LEU A 69 4.175 0.274 2.740 1.00 0.24 H new ATOM 0 HB2 LEU A 69 3.630 2.572 4.580 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.289 2.072 4.317 1.00 0.25 H new ATOM 0 HG LEU A 69 3.655 3.753 2.717 1.00 0.23 H new ATOM 0 HD11 LEU A 69 5.753 4.057 1.446 1.00 0.25 H new ATOM 0 HD12 LEU A 69 6.028 4.089 3.204 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.441 2.635 2.265 1.00 0.25 H new ATOM 0 HD21 LEU A 69 3.944 2.745 0.490 1.00 0.30 H new ATOM 0 HD22 LEU A 69 4.550 1.256 1.253 1.00 0.30 H new ATOM 0 HD23 LEU A 69 2.871 1.777 1.530 1.00 0.30 H new ATOM 660 N ASP A 70 3.727 -0.252 5.947 1.00 0.29 N ATOM 661 CA ASP A 70 4.214 -0.953 7.112 1.00 0.35 C ATOM 662 C ASP A 70 4.201 -2.445 6.841 1.00 0.38 C ATOM 663 O ASP A 70 5.037 -3.181 7.355 1.00 0.43 O ATOM 664 CB ASP A 70 3.379 -0.606 8.344 1.00 0.43 C ATOM 665 CG ASP A 70 3.851 -1.323 9.594 1.00 0.91 C ATOM 666 OD1 ASP A 70 3.212 -2.319 9.987 1.00 1.62 O ATOM 667 OD2 ASP A 70 4.852 -0.877 10.202 1.00 1.56 O ATOM 0 H ASP A 70 2.826 0.210 6.072 1.00 0.29 H new ATOM 0 HA ASP A 70 5.238 -0.641 7.318 1.00 0.35 H new ATOM 0 HB2 ASP A 70 3.417 0.470 8.512 1.00 0.43 H new ATOM 0 HB3 ASP A 70 2.337 -0.863 8.155 1.00 0.43 H new ATOM 672 N GLU A 71 3.260 -2.892 6.010 1.00 0.42 N ATOM 673 CA GLU A 71 3.237 -4.271 5.561 1.00 0.50 C ATOM 674 C GLU A 71 4.157 -4.488 4.366 1.00 0.45 C ATOM 675 O GLU A 71 4.956 -5.412 4.378 1.00 0.48 O ATOM 676 CB GLU A 71 1.823 -4.684 5.178 1.00 0.61 C ATOM 677 CG GLU A 71 0.819 -4.530 6.303 1.00 0.94 C ATOM 678 CD GLU A 71 -0.582 -4.883 5.870 1.00 1.47 C ATOM 679 OE1 GLU A 71 -0.891 -6.087 5.766 1.00 2.14 O ATOM 680 OE2 GLU A 71 -1.384 -3.961 5.642 1.00 2.18 O ATOM 0 H GLU A 71 2.506 -2.314 5.638 1.00 0.42 H new ATOM 0 HA GLU A 71 3.590 -4.884 6.390 1.00 0.50 H new ATOM 0 HB2 GLU A 71 1.497 -4.086 4.327 1.00 0.61 H new ATOM 0 HB3 GLU A 71 1.833 -5.724 4.851 1.00 0.61 H new ATOM 0 HG2 GLU A 71 1.111 -5.168 7.138 1.00 0.94 H new ATOM 0 HG3 GLU A 71 0.837 -3.502 6.665 1.00 0.94 H new ATOM 687 N GLU A 72 4.055 -3.636 3.340 1.00 0.43 N ATOM 688 CA GLU A 72 4.821 -3.840 2.104 1.00 0.45 C ATOM 689 C GLU A 72 6.313 -3.712 2.379 1.00 0.42 C ATOM 690 O GLU A 72 7.099 -4.559 1.981 1.00 0.47 O ATOM 691 CB GLU A 72 4.408 -2.850 1.011 1.00 0.46 C ATOM 692 CG GLU A 72 5.117 -3.075 -0.321 1.00 0.57 C ATOM 693 CD GLU A 72 4.725 -4.380 -0.998 1.00 0.91 C ATOM 694 OE1 GLU A 72 4.771 -5.434 -0.338 1.00 1.69 O ATOM 695 OE2 GLU A 72 4.389 -4.355 -2.202 1.00 1.33 O ATOM 0 H GLU A 72 3.458 -2.809 3.339 1.00 0.43 H new ATOM 0 HA GLU A 72 4.603 -4.846 1.747 1.00 0.45 H new ATOM 0 HB2 GLU A 72 3.331 -2.922 0.856 1.00 0.46 H new ATOM 0 HB3 GLU A 72 4.613 -1.836 1.355 1.00 0.46 H new ATOM 0 HG2 GLU A 72 4.891 -2.245 -0.990 1.00 0.57 H new ATOM 0 HG3 GLU A 72 6.195 -3.068 -0.157 1.00 0.57 H new ATOM 702 N ILE A 73 6.680 -2.682 3.120 1.00 0.35 N ATOM 703 CA ILE A 73 8.071 -2.469 3.490 1.00 0.34 C ATOM 704 C ILE A 73 8.540 -3.639 4.328 1.00 0.40 C ATOM 705 O ILE A 73 9.659 -4.124 4.184 1.00 0.45 O ATOM 706 CB ILE A 73 8.256 -1.147 4.270 1.00 0.29 C ATOM 707 CG1 ILE A 73 8.107 0.032 3.316 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.600 -1.099 4.985 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.242 1.379 3.980 1.00 0.27 C ATOM 0 H ILE A 73 6.035 -1.978 3.479 1.00 0.35 H new ATOM 0 HA ILE A 73 8.667 -2.396 2.580 1.00 0.34 H new ATOM 0 HB ILE A 73 7.484 -1.089 5.037 1.00 0.29 H new ATOM 0 HG12 ILE A 73 8.859 -0.052 2.531 1.00 0.27 H new ATOM 0 HG13 ILE A 73 7.132 -0.027 2.832 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.693 -0.155 5.522 1.00 0.33 H new ATOM 0 HG22 ILE A 73 9.666 -1.926 5.692 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.404 -1.181 4.254 1.00 0.33 H new ATOM 0 HD11 ILE A 73 8.124 2.166 3.235 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.474 1.486 4.746 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.227 1.461 4.440 1.00 0.27 H new ATOM 721 N SER A 74 7.646 -4.120 5.171 1.00 0.41 N ATOM 722 CA SER A 74 7.946 -5.266 6.023 1.00 0.49 C ATOM 723 C SER A 74 8.147 -6.553 5.205 1.00 0.54 C ATOM 724 O SER A 74 9.114 -7.287 5.411 1.00 0.60 O ATOM 725 CB SER A 74 6.826 -5.457 7.050 1.00 0.52 C ATOM 726 OG SER A 74 6.981 -6.656 7.790 1.00 1.34 O ATOM 0 H SER A 74 6.707 -3.739 5.288 1.00 0.41 H new ATOM 0 HA SER A 74 8.883 -5.061 6.540 1.00 0.49 H new ATOM 0 HB2 SER A 74 6.813 -4.608 7.734 1.00 0.52 H new ATOM 0 HB3 SER A 74 5.864 -5.469 6.538 1.00 0.52 H new ATOM 0 HG SER A 74 7.928 -6.789 8.002 1.00 1.34 H new ATOM 732 N ARG A 75 7.256 -6.805 4.257 1.00 0.55 N ATOM 733 CA ARG A 75 7.272 -8.065 3.520 1.00 0.63 C ATOM 734 C ARG A 75 8.330 -8.045 2.424 1.00 0.65 C ATOM 735 O ARG A 75 8.927 -9.076 2.115 1.00 0.72 O ATOM 736 CB ARG A 75 5.889 -8.398 2.947 1.00 0.74 C ATOM 737 CG ARG A 75 5.309 -7.319 2.053 1.00 0.76 C ATOM 738 CD ARG A 75 3.956 -7.715 1.488 1.00 1.25 C ATOM 739 NE ARG A 75 4.026 -8.925 0.668 1.00 1.84 N ATOM 740 CZ ARG A 75 4.098 -8.919 -0.662 1.00 2.73 C ATOM 741 NH1 ARG A 75 4.234 -7.777 -1.324 1.00 3.05 N ATOM 742 NH2 ARG A 75 4.066 -10.065 -1.330 1.00 3.67 N ATOM 0 H ARG A 75 6.516 -6.160 3.980 1.00 0.55 H new ATOM 0 HA ARG A 75 7.533 -8.855 4.225 1.00 0.63 H new ATOM 0 HB2 ARG A 75 5.957 -9.326 2.379 1.00 0.74 H new ATOM 0 HB3 ARG A 75 5.200 -8.579 3.772 1.00 0.74 H new ATOM 0 HG2 ARG A 75 5.208 -6.394 2.620 1.00 0.76 H new ATOM 0 HG3 ARG A 75 5.999 -7.117 1.234 1.00 0.76 H new ATOM 0 HD2 ARG A 75 3.256 -7.875 2.308 1.00 1.25 H new ATOM 0 HD3 ARG A 75 3.562 -6.895 0.888 1.00 1.25 H new ATOM 0 HE ARG A 75 4.019 -9.827 1.144 1.00 1.84 H new ATOM 0 HH11 ARG A 75 4.284 -6.895 -0.814 1.00 3.05 H new ATOM 0 HH12 ARG A 75 4.288 -7.781 -2.343 1.00 3.05 H new ATOM 0 HH21 ARG A 75 3.986 -10.948 -0.825 1.00 3.67 H new ATOM 0 HH22 ARG A 75 4.121 -10.063 -2.349 1.00 3.67 H new ATOM 756 N VAL A 76 8.576 -6.868 1.862 1.00 0.62 N ATOM 757 CA VAL A 76 9.633 -6.686 0.873 1.00 0.67 C ATOM 758 C VAL A 76 11.001 -6.943 1.500 1.00 0.71 C ATOM 759 O VAL A 76 11.905 -7.460 0.851 1.00 0.84 O ATOM 760 CB VAL A 76 9.592 -5.262 0.261 1.00 0.61 C ATOM 761 CG1 VAL A 76 10.859 -4.955 -0.518 1.00 0.64 C ATOM 762 CG2 VAL A 76 8.377 -5.097 -0.640 1.00 0.58 C ATOM 0 H VAL A 76 8.054 -6.019 2.076 1.00 0.62 H new ATOM 0 HA VAL A 76 9.466 -7.407 0.073 1.00 0.67 H new ATOM 0 HB VAL A 76 9.520 -4.555 1.087 1.00 0.61 H new ATOM 0 HG11 VAL A 76 10.796 -3.949 -0.933 1.00 0.64 H new ATOM 0 HG12 VAL A 76 11.720 -5.020 0.147 1.00 0.64 H new ATOM 0 HG13 VAL A 76 10.972 -5.675 -1.328 1.00 0.64 H new ATOM 0 HG21 VAL A 76 8.368 -4.091 -1.059 1.00 0.58 H new ATOM 0 HG22 VAL A 76 8.422 -5.826 -1.449 1.00 0.58 H new ATOM 0 HG23 VAL A 76 7.469 -5.256 -0.059 1.00 0.58 H new ATOM 772 N ARG A 77 11.128 -6.629 2.786 1.00 0.65 N ATOM 773 CA ARG A 77 12.395 -6.804 3.491 1.00 0.73 C ATOM 774 C ARG A 77 12.601 -8.266 3.864 1.00 0.86 C ATOM 775 O ARG A 77 13.733 -8.732 3.993 1.00 0.98 O ATOM 776 CB ARG A 77 12.450 -5.931 4.747 1.00 0.75 C ATOM 777 CG ARG A 77 12.618 -4.449 4.454 1.00 0.81 C ATOM 778 CD ARG A 77 12.550 -3.614 5.723 1.00 0.84 C ATOM 779 NE ARG A 77 13.618 -3.950 6.663 1.00 1.39 N ATOM 780 CZ ARG A 77 13.537 -3.772 7.980 1.00 1.71 C ATOM 781 NH1 ARG A 77 12.435 -3.263 8.521 1.00 1.45 N ATOM 782 NH2 ARG A 77 14.561 -4.101 8.754 1.00 2.73 N ATOM 0 H ARG A 77 10.373 -6.254 3.360 1.00 0.65 H new ATOM 0 HA ARG A 77 13.196 -6.493 2.820 1.00 0.73 H new ATOM 0 HB2 ARG A 77 11.535 -6.077 5.321 1.00 0.75 H new ATOM 0 HB3 ARG A 77 13.277 -6.264 5.375 1.00 0.75 H new ATOM 0 HG2 ARG A 77 13.575 -4.282 3.959 1.00 0.81 H new ATOM 0 HG3 ARG A 77 11.841 -4.124 3.762 1.00 0.81 H new ATOM 0 HD2 ARG A 77 12.615 -2.557 5.464 1.00 0.84 H new ATOM 0 HD3 ARG A 77 11.584 -3.765 6.204 1.00 0.84 H new ATOM 0 HE ARG A 77 14.479 -4.346 6.286 1.00 1.39 H new ATOM 0 HH11 ARG A 77 11.647 -3.007 7.927 1.00 1.45 H new ATOM 0 HH12 ARG A 77 12.378 -3.129 9.530 1.00 1.45 H new ATOM 0 HH21 ARG A 77 15.409 -4.490 8.341 1.00 2.73 H new ATOM 0 HH22 ARG A 77 14.502 -3.966 9.763 1.00 2.73 H new ATOM 796 N LYS A 78 11.499 -8.987 4.024 1.00 0.90 N ATOM 797 CA LYS A 78 11.551 -10.388 4.389 1.00 1.08 C ATOM 798 C LYS A 78 11.749 -11.261 3.148 1.00 1.11 C ATOM 799 O LYS A 78 12.502 -12.233 3.177 1.00 1.32 O ATOM 800 CB LYS A 78 10.278 -10.765 5.171 1.00 1.13 C ATOM 801 CG LYS A 78 9.802 -12.196 4.968 1.00 1.35 C ATOM 802 CD LYS A 78 8.729 -12.265 3.892 1.00 2.01 C ATOM 803 CE LYS A 78 7.371 -11.835 4.424 1.00 2.67 C ATOM 804 NZ LYS A 78 6.290 -12.019 3.417 1.00 3.44 N ATOM 0 H LYS A 78 10.556 -8.618 3.905 1.00 0.90 H new ATOM 0 HA LYS A 78 12.408 -10.566 5.039 1.00 1.08 H new ATOM 0 HB2 LYS A 78 10.461 -10.606 6.234 1.00 1.13 H new ATOM 0 HB3 LYS A 78 9.476 -10.086 4.881 1.00 1.13 H new ATOM 0 HG2 LYS A 78 10.645 -12.827 4.687 1.00 1.35 H new ATOM 0 HG3 LYS A 78 9.408 -12.589 5.905 1.00 1.35 H new ATOM 0 HD2 LYS A 78 9.011 -11.626 3.055 1.00 2.01 H new ATOM 0 HD3 LYS A 78 8.664 -13.283 3.508 1.00 2.01 H new ATOM 0 HE2 LYS A 78 7.134 -12.411 5.319 1.00 2.67 H new ATOM 0 HE3 LYS A 78 7.414 -10.787 4.721 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 5.382 -11.713 3.822 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 6.501 -11.450 2.573 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 6.230 -13.023 3.152 1.00 3.44 H new ATOM 818 N ASP A 79 11.071 -10.909 2.059 1.00 1.01 N ATOM 819 CA ASP A 79 11.201 -11.641 0.799 1.00 1.19 C ATOM 820 C ASP A 79 12.486 -11.261 0.053 1.00 1.41 C ATOM 821 O ASP A 79 12.731 -11.726 -1.060 1.00 1.67 O ATOM 822 CB ASP A 79 9.969 -11.376 -0.077 1.00 1.23 C ATOM 823 CG ASP A 79 9.885 -12.287 -1.290 1.00 1.58 C ATOM 824 OD1 ASP A 79 9.708 -11.772 -2.418 1.00 2.21 O ATOM 825 OD2 ASP A 79 9.981 -13.522 -1.123 1.00 1.94 O ATOM 0 H ASP A 79 10.425 -10.121 2.022 1.00 1.01 H new ATOM 0 HA ASP A 79 11.263 -12.705 1.026 1.00 1.19 H new ATOM 0 HB2 ASP A 79 9.070 -11.502 0.526 1.00 1.23 H new ATOM 0 HB3 ASP A 79 9.986 -10.339 -0.411 1.00 1.23 H new ATOM 830 N MET A 80 13.302 -10.412 0.671 1.00 1.50 N ATOM 831 CA MET A 80 14.583 -10.019 0.087 1.00 1.83 C ATOM 832 C MET A 80 15.461 -11.226 -0.206 1.00 2.15 C ATOM 833 O MET A 80 15.624 -12.116 0.629 1.00 2.62 O ATOM 834 CB MET A 80 15.328 -9.047 0.999 1.00 2.04 C ATOM 835 CG MET A 80 14.917 -7.605 0.788 1.00 1.57 C ATOM 836 SD MET A 80 15.200 -7.055 -0.906 1.00 1.42 S ATOM 837 CE MET A 80 14.347 -5.485 -0.891 1.00 0.99 C ATOM 0 H MET A 80 13.101 -9.983 1.574 1.00 1.50 H new ATOM 0 HA MET A 80 14.362 -9.520 -0.856 1.00 1.83 H new ATOM 0 HB2 MET A 80 15.148 -9.322 2.038 1.00 2.04 H new ATOM 0 HB3 MET A 80 16.400 -9.143 0.825 1.00 2.04 H new ATOM 0 HG2 MET A 80 13.861 -7.491 1.033 1.00 1.57 H new ATOM 0 HG3 MET A 80 15.475 -6.966 1.473 1.00 1.57 H new ATOM 0 HE1 MET A 80 13.828 -5.344 -1.839 1.00 0.99 H new ATOM 0 HE2 MET A 80 13.624 -5.472 -0.076 1.00 0.99 H new ATOM 0 HE3 MET A 80 15.068 -4.680 -0.749 1.00 0.99 H new ATOM 847 N TYR A 81 16.026 -11.235 -1.401 1.00 2.56 N ATOM 848 CA TYR A 81 16.839 -12.342 -1.868 1.00 3.12 C ATOM 849 C TYR A 81 18.321 -12.017 -1.726 1.00 3.69 C ATOM 850 O TYR A 81 18.820 -11.140 -2.459 1.00 4.24 O ATOM 851 CB TYR A 81 16.475 -12.697 -3.318 1.00 3.70 C ATOM 852 CG TYR A 81 16.334 -11.506 -4.251 1.00 4.11 C ATOM 853 CD1 TYR A 81 15.209 -10.688 -4.205 1.00 4.28 C ATOM 854 CD2 TYR A 81 17.318 -11.207 -5.183 1.00 4.77 C ATOM 855 CE1 TYR A 81 15.073 -9.610 -5.058 1.00 4.93 C ATOM 856 CE2 TYR A 81 17.189 -10.130 -6.038 1.00 5.51 C ATOM 857 CZ TYR A 81 16.067 -9.335 -5.972 1.00 5.52 C ATOM 858 OH TYR A 81 15.931 -8.265 -6.828 1.00 6.40 O ATOM 859 OXT TYR A 81 18.980 -12.631 -0.861 1.00 4.07 O ATOM 0 H TYR A 81 15.933 -10.474 -2.074 1.00 2.56 H new ATOM 0 HA TYR A 81 16.634 -13.215 -1.249 1.00 3.12 H new ATOM 0 HB2 TYR A 81 17.240 -13.364 -3.716 1.00 3.70 H new ATOM 0 HB3 TYR A 81 15.537 -13.252 -3.316 1.00 3.70 H new ATOM 0 HD1 TYR A 81 14.428 -10.900 -3.490 1.00 4.28 H new ATOM 0 HD2 TYR A 81 18.200 -11.827 -5.241 1.00 4.77 H new ATOM 0 HE1 TYR A 81 14.193 -8.986 -5.009 1.00 4.93 H new ATOM 0 HE2 TYR A 81 17.966 -9.912 -6.756 1.00 5.51 H new ATOM 0 HH TYR A 81 16.719 -8.208 -7.408 1.00 6.40 H new TER 869 TYR A 81 ATOM 870 N GLY B -2 10.949 -11.030 12.582 1.00 7.36 N ATOM 871 CA GLY B -2 9.559 -10.538 12.435 1.00 7.05 C ATOM 872 C GLY B -2 9.472 -9.038 12.602 1.00 6.50 C ATOM 873 O GLY B -2 10.264 -8.444 13.334 1.00 6.41 O ATOM 0 H1 GLY B -2 11.303 -11.350 11.658 1.00 7.36 H new ATOM 0 H2 GLY B -2 11.553 -10.262 12.937 1.00 7.36 H new ATOM 0 H3 GLY B -2 10.967 -11.824 13.254 1.00 7.36 H new ATOM 0 HA2 GLY B -2 9.177 -10.817 11.453 1.00 7.05 H new ATOM 0 HA3 GLY B -2 8.922 -11.023 13.174 1.00 7.05 H new ATOM 879 N SER B -1 8.521 -8.421 11.916 1.00 6.41 N ATOM 880 CA SER B -1 8.322 -6.983 12.003 1.00 6.10 C ATOM 881 C SER B -1 6.855 -6.638 11.761 1.00 5.79 C ATOM 882 O SER B -1 6.391 -6.645 10.620 1.00 6.09 O ATOM 883 CB SER B -1 9.212 -6.259 10.985 1.00 6.39 C ATOM 884 OG SER B -1 10.579 -6.595 11.170 1.00 6.64 O ATOM 0 H SER B -1 7.872 -8.898 11.290 1.00 6.41 H new ATOM 0 HA SER B -1 8.599 -6.653 13.004 1.00 6.10 H new ATOM 0 HB2 SER B -1 8.903 -6.524 9.974 1.00 6.39 H new ATOM 0 HB3 SER B -1 9.082 -5.181 11.086 1.00 6.39 H new ATOM 0 HG SER B -1 11.125 -6.122 10.508 1.00 6.64 H new ATOM 890 N LYS B 32 6.135 -6.361 12.852 1.00 5.47 N ATOM 891 CA LYS B 32 4.721 -5.973 12.805 1.00 5.31 C ATOM 892 C LYS B 32 3.816 -7.137 12.412 1.00 4.83 C ATOM 893 O LYS B 32 4.105 -7.889 11.478 1.00 4.65 O ATOM 894 CB LYS B 32 4.499 -4.804 11.841 1.00 5.58 C ATOM 895 CG LYS B 32 5.139 -3.501 12.283 1.00 6.01 C ATOM 896 CD LYS B 32 4.524 -2.986 13.571 1.00 6.39 C ATOM 897 CE LYS B 32 4.966 -1.564 13.862 1.00 7.09 C ATOM 898 NZ LYS B 32 4.471 -0.606 12.838 1.00 7.47 N ATOM 0 H LYS B 32 6.517 -6.400 13.797 1.00 5.47 H new ATOM 0 HA LYS B 32 4.454 -5.661 13.815 1.00 5.31 H new ATOM 0 HB2 LYS B 32 4.894 -5.076 10.862 1.00 5.58 H new ATOM 0 HB3 LYS B 32 3.427 -4.646 11.720 1.00 5.58 H new ATOM 0 HG2 LYS B 32 6.209 -3.650 12.424 1.00 6.01 H new ATOM 0 HG3 LYS B 32 5.022 -2.753 11.499 1.00 6.01 H new ATOM 0 HD2 LYS B 32 3.437 -3.024 13.498 1.00 6.39 H new ATOM 0 HD3 LYS B 32 4.811 -3.635 14.399 1.00 6.39 H new ATOM 0 HE2 LYS B 32 4.601 -1.265 14.845 1.00 7.09 H new ATOM 0 HE3 LYS B 32 6.055 -1.523 13.900 1.00 7.09 H new ATOM 0 HZ1 LYS B 32 4.538 0.364 13.208 1.00 7.47 H new ATOM 0 HZ2 LYS B 32 5.049 -0.689 11.977 1.00 7.47 H new ATOM 0 HZ3 LYS B 32 3.479 -0.822 12.611 1.00 7.47 H new ATOM 912 N GLU B 33 2.715 -7.277 13.130 1.00 4.82 N ATOM 913 CA GLU B 33 1.710 -8.274 12.804 1.00 4.46 C ATOM 914 C GLU B 33 0.749 -7.699 11.773 1.00 4.00 C ATOM 915 O GLU B 33 0.284 -6.569 11.917 1.00 4.07 O ATOM 916 CB GLU B 33 0.956 -8.695 14.069 1.00 4.70 C ATOM 917 CG GLU B 33 -0.047 -9.815 13.842 1.00 4.79 C ATOM 918 CD GLU B 33 -0.711 -10.268 15.125 1.00 4.98 C ATOM 919 OE1 GLU B 33 -0.139 -11.136 15.820 1.00 5.29 O ATOM 920 OE2 GLU B 33 -1.810 -9.771 15.442 1.00 5.19 O ATOM 0 H GLU B 33 2.494 -6.709 13.948 1.00 4.82 H new ATOM 0 HA GLU B 33 2.193 -9.157 12.387 1.00 4.46 H new ATOM 0 HB2 GLU B 33 1.677 -9.013 14.822 1.00 4.70 H new ATOM 0 HB3 GLU B 33 0.433 -7.829 14.474 1.00 4.70 H new ATOM 0 HG2 GLU B 33 -0.811 -9.478 13.141 1.00 4.79 H new ATOM 0 HG3 GLU B 33 0.458 -10.663 13.379 1.00 4.79 H new ATOM 927 N LYS B 34 0.465 -8.462 10.729 1.00 3.73 N ATOM 928 CA LYS B 34 -0.379 -7.977 9.646 1.00 3.44 C ATOM 929 C LYS B 34 -1.844 -8.332 9.892 1.00 3.03 C ATOM 930 O LYS B 34 -2.223 -9.506 9.856 1.00 3.00 O ATOM 931 CB LYS B 34 0.087 -8.537 8.296 1.00 3.71 C ATOM 932 CG LYS B 34 1.479 -8.068 7.883 1.00 4.14 C ATOM 933 CD LYS B 34 2.579 -8.899 8.528 1.00 4.59 C ATOM 934 CE LYS B 34 3.966 -8.413 8.133 1.00 5.29 C ATOM 935 NZ LYS B 34 4.314 -7.115 8.769 1.00 5.79 N ATOM 0 H LYS B 34 0.805 -9.416 10.608 1.00 3.73 H new ATOM 0 HA LYS B 34 -0.291 -6.891 9.617 1.00 3.44 H new ATOM 0 HB2 LYS B 34 0.080 -9.626 8.343 1.00 3.71 H new ATOM 0 HB3 LYS B 34 -0.628 -8.246 7.526 1.00 3.71 H new ATOM 0 HG2 LYS B 34 1.573 -8.123 6.798 1.00 4.14 H new ATOM 0 HG3 LYS B 34 1.606 -7.022 8.161 1.00 4.14 H new ATOM 0 HD2 LYS B 34 2.476 -8.858 9.612 1.00 4.59 H new ATOM 0 HD3 LYS B 34 2.464 -9.943 8.236 1.00 4.59 H new ATOM 0 HE2 LYS B 34 4.705 -9.163 8.416 1.00 5.29 H new ATOM 0 HE3 LYS B 34 4.016 -8.309 7.049 1.00 5.29 H new ATOM 0 HZ1 LYS B 34 5.297 -6.868 8.538 1.00 5.79 H new ATOM 0 HZ2 LYS B 34 3.678 -6.373 8.414 1.00 5.79 H new ATOM 0 HZ3 LYS B 34 4.211 -7.195 9.801 1.00 5.79 H new ATOM 949 N PRO B 35 -2.681 -7.314 10.160 1.00 2.88 N ATOM 950 CA PRO B 35 -4.112 -7.499 10.434 1.00 2.61 C ATOM 951 C PRO B 35 -4.894 -7.939 9.196 1.00 2.27 C ATOM 952 O PRO B 35 -4.506 -7.650 8.060 1.00 2.34 O ATOM 953 CB PRO B 35 -4.581 -6.109 10.894 1.00 2.80 C ATOM 954 CG PRO B 35 -3.333 -5.338 11.163 1.00 3.20 C ATOM 955 CD PRO B 35 -2.301 -5.897 10.232 1.00 3.15 C ATOM 0 HA PRO B 35 -4.279 -8.284 11.171 1.00 2.61 H new ATOM 0 HB2 PRO B 35 -5.184 -5.624 10.127 1.00 2.80 H new ATOM 0 HB3 PRO B 35 -5.200 -6.179 11.789 1.00 2.80 H new ATOM 0 HG2 PRO B 35 -3.485 -4.273 10.985 1.00 3.20 H new ATOM 0 HG3 PRO B 35 -3.022 -5.446 12.202 1.00 3.20 H new ATOM 0 HD2 PRO B 35 -2.333 -5.417 9.254 1.00 3.15 H new ATOM 0 HD3 PRO B 35 -1.290 -5.766 10.619 1.00 3.15 H new ATOM 963 N LYS B 36 -6.004 -8.625 9.436 1.00 2.08 N ATOM 964 CA LYS B 36 -6.814 -9.217 8.374 1.00 1.82 C ATOM 965 C LYS B 36 -7.534 -8.152 7.546 1.00 1.56 C ATOM 966 O LYS B 36 -7.817 -7.057 8.034 1.00 1.53 O ATOM 967 CB LYS B 36 -7.845 -10.172 8.983 1.00 1.80 C ATOM 968 CG LYS B 36 -8.843 -9.482 9.904 1.00 2.24 C ATOM 969 CD LYS B 36 -9.751 -10.474 10.612 1.00 2.52 C ATOM 970 CE LYS B 36 -10.596 -11.268 9.631 1.00 3.04 C ATOM 971 NZ LYS B 36 -11.494 -12.227 10.321 1.00 3.62 N ATOM 0 H LYS B 36 -6.371 -8.788 10.374 1.00 2.08 H new ATOM 0 HA LYS B 36 -6.143 -9.762 7.710 1.00 1.82 H new ATOM 0 HB2 LYS B 36 -8.388 -10.669 8.179 1.00 1.80 H new ATOM 0 HB3 LYS B 36 -7.323 -10.949 9.542 1.00 1.80 H new ATOM 0 HG2 LYS B 36 -8.303 -8.893 10.645 1.00 2.24 H new ATOM 0 HG3 LYS B 36 -9.450 -8.787 9.324 1.00 2.24 H new ATOM 0 HD2 LYS B 36 -9.147 -11.158 11.208 1.00 2.52 H new ATOM 0 HD3 LYS B 36 -10.403 -9.940 11.304 1.00 2.52 H new ATOM 0 HE2 LYS B 36 -11.192 -10.583 9.028 1.00 3.04 H new ATOM 0 HE3 LYS B 36 -9.944 -11.810 8.946 1.00 3.04 H new ATOM 0 HZ1 LYS B 36 -12.053 -12.748 9.616 1.00 3.62 H new ATOM 0 HZ2 LYS B 36 -10.925 -12.897 10.876 1.00 3.62 H new ATOM 0 HZ3 LYS B 36 -12.134 -11.708 10.955 1.00 3.62 H new ATOM 985 N PRO B 37 -7.828 -8.462 6.274 1.00 1.50 N ATOM 986 CA PRO B 37 -8.596 -7.585 5.403 1.00 1.33 C ATOM 987 C PRO B 37 -10.102 -7.833 5.521 1.00 1.15 C ATOM 988 O PRO B 37 -10.567 -8.971 5.422 1.00 1.28 O ATOM 989 CB PRO B 37 -8.089 -7.962 4.013 1.00 1.52 C ATOM 990 CG PRO B 37 -7.655 -9.390 4.113 1.00 1.75 C ATOM 991 CD PRO B 37 -7.416 -9.693 5.575 1.00 1.75 C ATOM 0 HA PRO B 37 -8.467 -6.531 5.648 1.00 1.33 H new ATOM 0 HB2 PRO B 37 -8.873 -7.843 3.265 1.00 1.52 H new ATOM 0 HB3 PRO B 37 -7.260 -7.321 3.712 1.00 1.52 H new ATOM 0 HG2 PRO B 37 -8.419 -10.052 3.704 1.00 1.75 H new ATOM 0 HG3 PRO B 37 -6.747 -9.556 3.534 1.00 1.75 H new ATOM 0 HD2 PRO B 37 -8.001 -10.552 5.904 1.00 1.75 H new ATOM 0 HD3 PRO B 37 -6.369 -9.928 5.767 1.00 1.75 H new ATOM 999 N THR B 38 -10.855 -6.768 5.748 1.00 0.97 N ATOM 1000 CA THR B 38 -12.300 -6.863 5.901 1.00 0.84 C ATOM 1001 C THR B 38 -12.997 -5.870 4.965 1.00 0.72 C ATOM 1002 O THR B 38 -12.322 -5.056 4.333 1.00 0.66 O ATOM 1003 CB THR B 38 -12.706 -6.581 7.363 1.00 0.79 C ATOM 1004 OG1 THR B 38 -12.141 -5.336 7.800 1.00 0.85 O ATOM 1005 CG2 THR B 38 -12.242 -7.702 8.283 1.00 0.95 C ATOM 0 H THR B 38 -10.487 -5.821 5.831 1.00 0.97 H new ATOM 0 HA THR B 38 -12.610 -7.875 5.640 1.00 0.84 H new ATOM 0 HB THR B 38 -13.794 -6.523 7.407 1.00 0.79 H new ATOM 0 HG1 THR B 38 -12.405 -5.165 8.728 1.00 0.85 H new ATOM 0 HG21 THR B 38 -12.540 -7.479 9.307 1.00 0.95 H new ATOM 0 HG22 THR B 38 -12.696 -8.642 7.969 1.00 0.95 H new ATOM 0 HG23 THR B 38 -11.157 -7.789 8.232 1.00 0.95 H new ATOM 1013 N PRO B 39 -14.337 -5.920 4.825 1.00 0.74 N ATOM 1014 CA PRO B 39 -15.067 -4.939 4.009 1.00 0.70 C ATOM 1015 C PRO B 39 -14.770 -3.504 4.429 1.00 0.62 C ATOM 1016 O PRO B 39 -14.615 -2.624 3.586 1.00 0.56 O ATOM 1017 CB PRO B 39 -16.534 -5.285 4.254 1.00 0.78 C ATOM 1018 CG PRO B 39 -16.517 -6.727 4.624 1.00 0.87 C ATOM 1019 CD PRO B 39 -15.241 -6.937 5.395 1.00 0.83 C ATOM 0 HA PRO B 39 -14.781 -4.989 2.958 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -16.958 -4.675 5.051 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -17.138 -5.110 3.363 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -17.386 -6.986 5.228 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -16.546 -7.359 3.736 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -15.388 -6.792 6.465 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -14.850 -7.945 5.261 1.00 0.83 H new ATOM 1027 N ASP B 40 -14.660 -3.276 5.735 1.00 0.65 N ATOM 1028 CA ASP B 40 -14.325 -1.951 6.257 1.00 0.64 C ATOM 1029 C ASP B 40 -13.011 -1.468 5.662 1.00 0.57 C ATOM 1030 O ASP B 40 -12.871 -0.303 5.287 1.00 0.57 O ATOM 1031 CB ASP B 40 -14.216 -1.976 7.783 1.00 0.72 C ATOM 1032 CG ASP B 40 -15.518 -2.354 8.455 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -16.379 -1.471 8.633 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -15.681 -3.535 8.821 1.00 2.16 O ATOM 0 H ASP B 40 -14.797 -3.989 6.451 1.00 0.65 H new ATOM 0 HA ASP B 40 -15.125 -1.266 5.975 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -13.441 -2.685 8.076 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -13.901 -0.994 8.137 1.00 0.72 H new ATOM 1039 N TYR B 41 -12.055 -2.383 5.574 1.00 0.57 N ATOM 1040 CA TYR B 41 -10.768 -2.112 4.948 1.00 0.54 C ATOM 1041 C TYR B 41 -10.972 -1.675 3.497 1.00 0.46 C ATOM 1042 O TYR B 41 -10.328 -0.743 3.019 1.00 0.43 O ATOM 1043 CB TYR B 41 -9.895 -3.376 4.998 1.00 0.61 C ATOM 1044 CG TYR B 41 -8.414 -3.140 4.786 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -7.944 -2.422 3.698 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -7.485 -3.650 5.680 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -6.594 -2.214 3.507 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -6.134 -3.445 5.495 1.00 0.88 C ATOM 1049 CZ TYR B 41 -5.694 -2.725 4.407 1.00 0.73 C ATOM 1050 OH TYR B 41 -4.351 -2.516 4.215 1.00 0.82 O ATOM 0 H TYR B 41 -12.150 -3.333 5.934 1.00 0.57 H new ATOM 0 HA TYR B 41 -10.269 -1.308 5.489 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -10.036 -3.859 5.965 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -10.249 -4.074 4.239 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -8.648 -2.018 2.986 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -7.825 -4.217 6.534 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -6.247 -1.651 2.653 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -5.423 -3.848 6.201 1.00 0.88 H new ATOM 0 HH TYR B 41 -3.988 -3.225 3.644 1.00 0.82 H new ATOM 1060 N LEU B 42 -11.926 -2.309 2.827 1.00 0.44 N ATOM 1061 CA LEU B 42 -12.112 -2.117 1.397 1.00 0.39 C ATOM 1062 C LEU B 42 -12.892 -0.840 1.108 1.00 0.36 C ATOM 1063 O LEU B 42 -12.604 -0.141 0.140 1.00 0.34 O ATOM 1064 CB LEU B 42 -12.837 -3.318 0.783 1.00 0.43 C ATOM 1065 CG LEU B 42 -13.132 -3.203 -0.717 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -11.845 -3.059 -1.509 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -13.925 -4.406 -1.205 1.00 0.48 C ATOM 0 H LEU B 42 -12.584 -2.962 3.253 1.00 0.44 H new ATOM 0 HA LEU B 42 -11.124 -2.027 0.945 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -12.235 -4.211 0.952 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -13.779 -3.464 1.312 1.00 0.43 H new ATOM 0 HG LEU B 42 -13.734 -2.308 -0.875 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -12.078 -2.979 -2.571 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -11.317 -2.162 -1.185 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -11.215 -3.932 -1.341 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -14.123 -4.303 -2.272 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -13.351 -5.316 -1.029 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -14.870 -4.462 -0.665 1.00 0.48 H new ATOM 1079 N MET B 43 -13.855 -0.515 1.962 1.00 0.39 N ATOM 1080 CA MET B 43 -14.699 0.652 1.735 1.00 0.40 C ATOM 1081 C MET B 43 -13.880 1.913 1.915 1.00 0.36 C ATOM 1082 O MET B 43 -14.092 2.919 1.236 1.00 0.36 O ATOM 1083 CB MET B 43 -15.901 0.670 2.685 1.00 0.47 C ATOM 1084 CG MET B 43 -17.164 0.044 2.134 1.00 0.63 C ATOM 1085 SD MET B 43 -17.208 -1.759 2.254 1.00 0.85 S ATOM 1086 CE MET B 43 -16.292 -2.255 0.794 1.00 0.54 C ATOM 0 H MET B 43 -14.070 -1.038 2.811 1.00 0.39 H new ATOM 0 HA MET B 43 -15.081 0.602 0.715 1.00 0.40 H new ATOM 0 HB2 MET B 43 -15.627 0.150 3.603 1.00 0.47 H new ATOM 0 HB3 MET B 43 -16.115 1.704 2.956 1.00 0.47 H new ATOM 0 HG2 MET B 43 -18.022 0.454 2.667 1.00 0.63 H new ATOM 0 HG3 MET B 43 -17.272 0.330 1.088 1.00 0.63 H new ATOM 0 HE1 MET B 43 -15.747 -3.176 1.002 1.00 0.54 H new ATOM 0 HE2 MET B 43 -16.985 -2.422 -0.031 1.00 0.54 H new ATOM 0 HE3 MET B 43 -15.587 -1.469 0.522 1.00 0.54 H new ATOM 1096 N GLN B 44 -12.919 1.832 2.817 1.00 0.36 N ATOM 1097 CA GLN B 44 -12.022 2.945 3.067 1.00 0.35 C ATOM 1098 C GLN B 44 -10.991 3.037 1.951 1.00 0.30 C ATOM 1099 O GLN B 44 -10.620 4.130 1.531 1.00 0.30 O ATOM 1100 CB GLN B 44 -11.344 2.792 4.426 1.00 0.42 C ATOM 1101 CG GLN B 44 -12.311 2.887 5.593 1.00 0.52 C ATOM 1102 CD GLN B 44 -11.658 2.557 6.918 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -11.132 3.430 7.603 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -11.688 1.290 7.285 1.00 0.75 N ATOM 0 H GLN B 44 -12.740 1.007 3.389 1.00 0.36 H new ATOM 0 HA GLN B 44 -12.599 3.870 3.084 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -10.833 1.830 4.463 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -10.580 3.562 4.532 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -12.724 3.895 5.637 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -13.146 2.207 5.424 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -12.135 0.596 6.686 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -11.264 1.005 8.168 1.00 0.75 H new ATOM 1113 N LEU B 45 -10.549 1.880 1.452 1.00 0.27 N ATOM 1114 CA LEU B 45 -9.627 1.831 0.323 1.00 0.25 C ATOM 1115 C LEU B 45 -10.223 2.482 -0.909 1.00 0.23 C ATOM 1116 O LEU B 45 -9.526 3.159 -1.661 1.00 0.23 O ATOM 1117 CB LEU B 45 -9.273 0.387 -0.024 1.00 0.29 C ATOM 1118 CG LEU B 45 -8.141 -0.238 0.782 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -7.927 -1.680 0.347 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -6.865 0.563 0.593 1.00 0.31 C ATOM 0 H LEU B 45 -10.817 0.965 1.815 1.00 0.27 H new ATOM 0 HA LEU B 45 -8.732 2.376 0.623 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -10.165 -0.226 0.106 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -9.007 0.343 -1.080 1.00 0.29 H new ATOM 0 HG LEU B 45 -8.409 -0.227 1.839 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -7.116 -2.119 0.928 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -8.842 -2.249 0.512 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -7.670 -1.706 -0.712 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -6.061 0.109 1.173 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -6.592 0.569 -0.462 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -7.024 1.586 0.933 1.00 0.31 H new ATOM 1132 N MET B 46 -11.519 2.279 -1.108 1.00 0.26 N ATOM 1133 CA MET B 46 -12.182 2.784 -2.297 1.00 0.27 C ATOM 1134 C MET B 46 -12.180 4.297 -2.295 1.00 0.26 C ATOM 1135 O MET B 46 -12.120 4.925 -3.350 1.00 0.40 O ATOM 1136 CB MET B 46 -13.621 2.283 -2.396 1.00 0.33 C ATOM 1137 CG MET B 46 -13.746 0.777 -2.541 1.00 0.38 C ATOM 1138 SD MET B 46 -15.416 0.264 -2.990 1.00 0.49 S ATOM 1139 CE MET B 46 -16.383 1.118 -1.746 1.00 0.49 C ATOM 0 H MET B 46 -12.126 1.771 -0.465 1.00 0.26 H new ATOM 0 HA MET B 46 -11.629 2.414 -3.160 1.00 0.27 H new ATOM 0 HB2 MET B 46 -14.166 2.598 -1.506 1.00 0.33 H new ATOM 0 HB3 MET B 46 -14.102 2.760 -3.250 1.00 0.33 H new ATOM 0 HG2 MET B 46 -13.046 0.429 -3.300 1.00 0.38 H new ATOM 0 HG3 MET B 46 -13.462 0.300 -1.603 1.00 0.38 H new ATOM 0 HE1 MET B 46 -17.106 0.428 -1.311 1.00 0.49 H new ATOM 0 HE2 MET B 46 -15.722 1.492 -0.964 1.00 0.49 H new ATOM 0 HE3 MET B 46 -16.910 1.954 -2.206 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.214 4.886 -1.107 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.249 6.332 -0.981 1.00 0.30 C ATOM 1151 C ASN B 47 -10.830 6.892 -0.996 1.00 0.26 C ATOM 1152 O ASN B 47 -10.602 8.013 -1.451 1.00 0.28 O ATOM 1153 CB ASN B 47 -12.972 6.726 0.310 1.00 0.42 C ATOM 1154 CG ASN B 47 -13.143 8.227 0.453 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -12.316 8.904 1.059 1.00 1.60 O ATOM 1156 ND2 ASN B 47 -14.218 8.756 -0.103 1.00 1.43 N ATOM 0 H ASN B 47 -12.218 4.383 -0.220 1.00 0.24 H new ATOM 0 HA ASN B 47 -12.795 6.752 -1.826 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -13.952 6.249 0.332 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -12.413 6.345 1.165 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -14.384 9.760 -0.037 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -14.882 8.160 -0.598 1.00 1.43 H new ATOM 1163 N ASP B 48 -9.869 6.084 -0.544 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.463 6.487 -0.539 1.00 0.25 C ATOM 1165 C ASP B 48 -7.948 6.543 -1.973 1.00 0.25 C ATOM 1166 O ASP B 48 -7.301 7.509 -2.386 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.598 5.498 0.261 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.685 5.661 1.771 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -8.168 6.707 2.245 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -7.231 4.746 2.500 1.00 0.74 O ATOM 0 H ASP B 48 -10.039 5.148 -0.177 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.395 7.467 -0.068 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -7.895 4.482 0.000 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.558 5.615 -0.045 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.264 5.492 -2.726 1.00 0.22 N ATOM 1176 CA LYS B 49 -7.880 5.377 -4.130 1.00 0.27 C ATOM 1177 C LYS B 49 -8.493 6.509 -4.958 1.00 0.33 C ATOM 1178 O LYS B 49 -7.942 6.917 -5.978 1.00 0.44 O ATOM 1179 CB LYS B 49 -8.328 4.013 -4.673 1.00 0.31 C ATOM 1180 CG LYS B 49 -7.381 3.407 -5.702 1.00 0.58 C ATOM 1181 CD LYS B 49 -7.408 4.157 -7.023 1.00 0.92 C ATOM 1182 CE LYS B 49 -8.707 3.920 -7.778 1.00 1.45 C ATOM 1183 NZ LYS B 49 -8.718 4.614 -9.091 1.00 2.10 N ATOM 0 H LYS B 49 -8.795 4.694 -2.378 1.00 0.22 H new ATOM 0 HA LYS B 49 -6.796 5.457 -4.206 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.432 3.319 -3.839 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -9.315 4.120 -5.123 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.366 3.411 -5.305 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -7.652 2.365 -5.873 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -7.284 5.224 -6.838 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -6.566 3.840 -7.639 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -8.848 2.850 -7.932 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -9.546 4.269 -7.176 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -9.620 4.428 -9.575 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -8.609 5.638 -8.943 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -7.933 4.263 -9.676 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.615 7.041 -4.502 1.00 0.30 N ATOM 1198 CA LYS B 50 -10.276 8.121 -5.220 1.00 0.37 C ATOM 1199 C LYS B 50 -9.677 9.458 -4.809 1.00 0.39 C ATOM 1200 O LYS B 50 -9.431 10.322 -5.650 1.00 0.44 O ATOM 1201 CB LYS B 50 -11.783 8.115 -4.963 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.508 6.946 -5.609 1.00 1.14 C ATOM 1203 CD LYS B 50 -14.009 7.009 -5.368 1.00 1.67 C ATOM 1204 CE LYS B 50 -14.630 8.232 -6.024 1.00 2.35 C ATOM 1205 NZ LYS B 50 -16.102 8.288 -5.821 1.00 3.05 N ATOM 0 H LYS B 50 -10.085 6.747 -3.646 1.00 0.30 H new ATOM 0 HA LYS B 50 -10.118 7.969 -6.288 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -11.959 8.091 -3.888 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -12.210 9.046 -5.335 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -12.312 6.944 -6.681 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -12.115 6.010 -5.212 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -14.479 6.107 -5.760 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -14.205 7.031 -4.296 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -14.173 9.133 -5.615 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -14.412 8.220 -7.092 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -16.484 9.137 -6.284 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -16.542 7.441 -6.234 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -16.311 8.326 -4.803 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.433 9.614 -3.511 1.00 0.38 N ATOM 1220 CA LEU B 51 -8.797 10.814 -2.985 1.00 0.44 C ATOM 1221 C LEU B 51 -7.454 11.068 -3.652 1.00 0.43 C ATOM 1222 O LEU B 51 -7.154 12.198 -4.033 1.00 0.47 O ATOM 1223 CB LEU B 51 -8.618 10.705 -1.470 1.00 0.48 C ATOM 1224 CG LEU B 51 -9.830 11.136 -0.644 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -9.689 10.673 0.794 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -9.989 12.647 -0.691 1.00 1.22 C ATOM 0 H LEU B 51 -9.668 8.919 -2.802 1.00 0.38 H new ATOM 0 HA LEU B 51 -9.450 11.658 -3.206 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -8.376 9.672 -1.221 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -7.762 11.312 -1.176 1.00 0.48 H new ATOM 0 HG LEU B 51 -10.719 10.673 -1.072 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -10.562 10.990 1.365 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -9.613 9.586 0.820 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -8.791 11.110 1.231 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -10.856 12.940 -0.099 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -9.095 13.120 -0.284 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -10.130 12.966 -1.724 1.00 1.22 H new ATOM 1238 N MET B 52 -6.653 10.019 -3.824 1.00 0.39 N ATOM 1239 CA MET B 52 -5.338 10.161 -4.435 1.00 0.37 C ATOM 1240 C MET B 52 -5.465 10.496 -5.920 1.00 0.41 C ATOM 1241 O MET B 52 -4.642 11.222 -6.476 1.00 0.47 O ATOM 1242 CB MET B 52 -4.524 8.873 -4.256 1.00 0.33 C ATOM 1243 CG MET B 52 -5.102 7.674 -4.990 1.00 1.29 C ATOM 1244 SD MET B 52 -4.161 6.162 -4.720 1.00 1.25 S ATOM 1245 CE MET B 52 -4.319 5.990 -2.945 1.00 0.32 C ATOM 0 H MET B 52 -6.892 9.066 -3.550 1.00 0.39 H new ATOM 0 HA MET B 52 -4.819 10.980 -3.937 1.00 0.37 H new ATOM 0 HB2 MET B 52 -3.507 9.046 -4.607 1.00 0.33 H new ATOM 0 HB3 MET B 52 -4.460 8.640 -3.193 1.00 0.33 H new ATOM 0 HG2 MET B 52 -6.131 7.518 -4.666 1.00 1.29 H new ATOM 0 HG3 MET B 52 -5.134 7.890 -6.058 1.00 1.29 H new ATOM 0 HE1 MET B 52 -3.339 6.095 -2.481 1.00 0.32 H new ATOM 0 HE2 MET B 52 -4.986 6.762 -2.563 1.00 0.32 H new ATOM 0 HE3 MET B 52 -4.728 5.008 -2.710 1.00 0.32 H new ATOM 1255 N SER B 53 -6.511 9.976 -6.553 1.00 0.41 N ATOM 1256 CA SER B 53 -6.738 10.205 -7.970 1.00 0.47 C ATOM 1257 C SER B 53 -7.207 11.638 -8.211 1.00 0.51 C ATOM 1258 O SER B 53 -7.119 12.154 -9.326 1.00 0.62 O ATOM 1259 CB SER B 53 -7.768 9.204 -8.506 1.00 0.52 C ATOM 1260 OG SER B 53 -7.815 9.217 -9.925 1.00 1.15 O ATOM 0 H SER B 53 -7.216 9.392 -6.103 1.00 0.41 H new ATOM 0 HA SER B 53 -5.799 10.059 -8.504 1.00 0.47 H new ATOM 0 HB2 SER B 53 -7.518 8.202 -8.158 1.00 0.52 H new ATOM 0 HB3 SER B 53 -8.753 9.444 -8.106 1.00 0.52 H new ATOM 0 HG SER B 53 -8.480 8.567 -10.236 1.00 1.15 H new ATOM 1266 N SER B 54 -7.678 12.287 -7.155 1.00 0.49 N ATOM 1267 CA SER B 54 -8.134 13.663 -7.244 1.00 0.54 C ATOM 1268 C SER B 54 -6.992 14.608 -6.886 1.00 0.53 C ATOM 1269 O SER B 54 -7.156 15.829 -6.868 1.00 0.53 O ATOM 1270 CB SER B 54 -9.326 13.881 -6.306 1.00 0.60 C ATOM 1271 OG SER B 54 -9.881 15.176 -6.468 1.00 1.30 O ATOM 0 H SER B 54 -7.754 11.878 -6.224 1.00 0.49 H new ATOM 0 HA SER B 54 -8.454 13.871 -8.265 1.00 0.54 H new ATOM 0 HB2 SER B 54 -10.089 13.129 -6.504 1.00 0.60 H new ATOM 0 HB3 SER B 54 -9.007 13.747 -5.272 1.00 0.60 H new ATOM 0 HG SER B 54 -9.176 15.804 -6.730 1.00 1.30 H new ATOM 1277 N LEU B 55 -5.838 14.028 -6.592 1.00 0.55 N ATOM 1278 CA LEU B 55 -4.655 14.798 -6.252 1.00 0.57 C ATOM 1279 C LEU B 55 -3.585 14.627 -7.323 1.00 0.65 C ATOM 1280 O LEU B 55 -2.964 13.570 -7.420 1.00 0.65 O ATOM 1281 CB LEU B 55 -4.097 14.344 -4.902 1.00 0.51 C ATOM 1282 CG LEU B 55 -5.039 14.505 -3.709 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -4.433 13.867 -2.471 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -5.336 15.974 -3.459 1.00 0.65 C ATOM 0 H LEU B 55 -5.697 13.018 -6.583 1.00 0.55 H new ATOM 0 HA LEU B 55 -4.937 15.849 -6.191 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -3.815 13.294 -4.980 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -3.184 14.905 -4.699 1.00 0.51 H new ATOM 0 HG LEU B 55 -5.977 14.000 -3.937 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -5.114 13.989 -1.629 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -4.267 12.805 -2.653 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -3.482 14.349 -2.242 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -6.008 16.069 -2.606 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -4.406 16.503 -3.249 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -5.807 16.405 -4.342 1.00 0.65 H new ATOM 1296 N PRO B 56 -3.342 15.665 -8.134 1.00 0.81 N ATOM 1297 CA PRO B 56 -2.304 15.625 -9.165 1.00 0.95 C ATOM 1298 C PRO B 56 -0.914 15.774 -8.556 1.00 0.88 C ATOM 1299 O PRO B 56 0.104 15.651 -9.237 1.00 1.19 O ATOM 1300 CB PRO B 56 -2.641 16.820 -10.054 1.00 1.14 C ATOM 1301 CG PRO B 56 -3.344 17.780 -9.155 1.00 1.26 C ATOM 1302 CD PRO B 56 -4.054 16.957 -8.111 1.00 0.98 C ATOM 0 HA PRO B 56 -2.285 14.680 -9.708 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -1.740 17.263 -10.478 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -3.275 16.524 -10.890 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -2.635 18.465 -8.691 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -4.053 18.388 -9.717 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -4.000 17.425 -7.128 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -5.111 16.835 -8.349 1.00 0.98 H new ATOM 1310 N ASN B 57 -0.898 16.035 -7.256 1.00 0.63 N ATOM 1311 CA ASN B 57 0.336 16.163 -6.501 1.00 0.62 C ATOM 1312 C ASN B 57 0.701 14.819 -5.883 1.00 0.57 C ATOM 1313 O ASN B 57 1.868 14.541 -5.613 1.00 0.59 O ATOM 1314 CB ASN B 57 0.184 17.237 -5.415 1.00 0.68 C ATOM 1315 CG ASN B 57 -0.881 16.893 -4.386 1.00 1.32 C ATOM 1316 OD1 ASN B 57 -2.074 17.077 -4.628 1.00 2.22 O ATOM 1317 ND2 ASN B 57 -0.458 16.421 -3.223 1.00 1.73 N ATOM 0 H ASN B 57 -1.742 16.164 -6.697 1.00 0.63 H new ATOM 0 HA ASN B 57 1.138 16.469 -7.172 1.00 0.62 H new ATOM 0 HB2 ASN B 57 1.140 17.373 -4.909 1.00 0.68 H new ATOM 0 HB3 ASN B 57 -0.066 18.188 -5.885 1.00 0.68 H new ATOM 0 HD21 ASN B 57 -1.130 16.196 -2.489 1.00 1.73 H new ATOM 0 HD22 ASN B 57 0.540 16.282 -3.061 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.318 13.986 -5.678 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.143 12.652 -5.108 1.00 0.70 C ATOM 1326 C PHE B 58 0.873 11.836 -5.895 1.00 0.90 C ATOM 1327 O PHE B 58 1.789 11.249 -5.317 1.00 1.77 O ATOM 1328 CB PHE B 58 -1.478 11.908 -5.066 1.00 0.69 C ATOM 1329 CG PHE B 58 -1.342 10.451 -4.727 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -1.148 10.047 -3.419 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -1.404 9.487 -5.721 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -1.020 8.709 -3.104 1.00 0.90 C ATOM 1333 CE2 PHE B 58 -1.275 8.149 -5.413 1.00 1.15 C ATOM 1334 CZ PHE B 58 -1.083 7.759 -4.103 1.00 0.69 C ATOM 0 H PHE B 58 -1.286 14.217 -5.902 1.00 0.62 H new ATOM 0 HA PHE B 58 0.233 12.779 -4.093 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -2.127 12.385 -4.332 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -1.968 12.003 -6.035 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -1.096 10.787 -2.634 1.00 0.90 H new ATOM 0 HD2 PHE B 58 -1.555 9.787 -6.747 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -0.871 8.406 -2.078 1.00 0.90 H new ATOM 0 HE2 PHE B 58 -1.324 7.407 -6.196 1.00 1.15 H new ATOM 0 HZ PHE B 58 -0.982 6.712 -3.860 1.00 0.69 H new ATOM 1344 N SER B 59 0.695 11.799 -7.209 1.00 0.91 N ATOM 1345 CA SER B 59 1.569 11.044 -8.095 1.00 1.02 C ATOM 1346 C SER B 59 3.043 11.393 -7.893 1.00 1.10 C ATOM 1347 O SER B 59 3.916 10.544 -8.067 1.00 1.84 O ATOM 1348 CB SER B 59 1.156 11.298 -9.543 1.00 1.21 C ATOM 1349 OG SER B 59 0.915 12.679 -9.762 1.00 1.84 O ATOM 0 H SER B 59 -0.058 12.291 -7.689 1.00 0.91 H new ATOM 0 HA SER B 59 1.461 9.986 -7.855 1.00 1.02 H new ATOM 0 HB2 SER B 59 1.939 10.949 -10.216 1.00 1.21 H new ATOM 0 HB3 SER B 59 0.258 10.726 -9.776 1.00 1.21 H new ATOM 0 HG SER B 59 0.653 12.821 -10.696 1.00 1.84 H new ATOM 1355 N GLY B 60 3.325 12.635 -7.516 1.00 0.91 N ATOM 1356 CA GLY B 60 4.696 13.044 -7.321 1.00 0.88 C ATOM 1357 C GLY B 60 5.190 12.803 -5.909 1.00 0.67 C ATOM 1358 O GLY B 60 6.371 12.522 -5.703 1.00 0.74 O ATOM 0 H GLY B 60 2.629 13.361 -7.343 1.00 0.91 H new ATOM 0 HA2 GLY B 60 5.334 12.503 -8.020 1.00 0.88 H new ATOM 0 HA3 GLY B 60 4.790 14.104 -7.557 1.00 0.88 H new ATOM 1362 N ILE B 61 4.301 12.908 -4.924 1.00 0.51 N ATOM 1363 CA ILE B 61 4.719 12.766 -3.535 1.00 0.54 C ATOM 1364 C ILE B 61 4.878 11.315 -3.112 1.00 0.73 C ATOM 1365 O ILE B 61 5.749 11.016 -2.302 1.00 1.81 O ATOM 1366 CB ILE B 61 3.793 13.490 -2.529 1.00 0.58 C ATOM 1367 CG1 ILE B 61 2.314 13.169 -2.781 1.00 0.64 C ATOM 1368 CG2 ILE B 61 4.044 14.989 -2.573 1.00 0.79 C ATOM 1369 CD1 ILE B 61 1.369 13.878 -1.834 1.00 0.79 C ATOM 0 H ILE B 61 3.306 13.087 -5.059 1.00 0.51 H new ATOM 0 HA ILE B 61 5.694 13.252 -3.504 1.00 0.54 H new ATOM 0 HB ILE B 61 4.030 13.124 -1.530 1.00 0.58 H new ATOM 0 HG12 ILE B 61 2.061 13.442 -3.805 1.00 0.64 H new ATOM 0 HG13 ILE B 61 2.164 12.093 -2.692 1.00 0.64 H new ATOM 0 HG21 ILE B 61 3.387 15.489 -1.861 1.00 0.79 H new ATOM 0 HG22 ILE B 61 5.083 15.192 -2.312 1.00 0.79 H new ATOM 0 HG23 ILE B 61 3.842 15.362 -3.577 1.00 0.79 H new ATOM 0 HD11 ILE B 61 0.341 13.603 -2.072 1.00 0.79 H new ATOM 0 HD12 ILE B 61 1.595 13.586 -0.808 1.00 0.79 H new ATOM 0 HD13 ILE B 61 1.490 14.956 -1.939 1.00 0.79 H new ATOM 1381 N PHE B 62 4.076 10.398 -3.641 1.00 0.58 N ATOM 1382 CA PHE B 62 4.168 9.006 -3.225 1.00 0.50 C ATOM 1383 C PHE B 62 4.337 8.107 -4.445 1.00 0.51 C ATOM 1384 O PHE B 62 3.600 8.230 -5.425 1.00 0.76 O ATOM 1385 CB PHE B 62 2.911 8.603 -2.455 1.00 0.50 C ATOM 1386 CG PHE B 62 2.637 9.452 -1.244 1.00 0.48 C ATOM 1387 CD1 PHE B 62 3.592 9.609 -0.251 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.419 10.087 -1.096 1.00 0.64 C ATOM 1389 CE1 PHE B 62 3.333 10.380 0.862 1.00 0.53 C ATOM 1390 CE2 PHE B 62 1.158 10.861 0.013 1.00 0.68 C ATOM 1391 CZ PHE B 62 2.112 11.007 0.991 1.00 0.59 C ATOM 0 H PHE B 62 3.366 10.590 -4.348 1.00 0.58 H new ATOM 0 HA PHE B 62 5.035 8.891 -2.574 1.00 0.50 H new ATOM 0 HB2 PHE B 62 2.053 8.657 -3.126 1.00 0.50 H new ATOM 0 HB3 PHE B 62 3.006 7.563 -2.143 1.00 0.50 H new ATOM 0 HD1 PHE B 62 4.550 9.121 -0.351 1.00 0.48 H new ATOM 0 HD2 PHE B 62 0.663 9.975 -1.859 1.00 0.64 H new ATOM 0 HE1 PHE B 62 4.084 10.492 1.630 1.00 0.53 H new ATOM 0 HE2 PHE B 62 0.202 11.354 0.114 1.00 0.68 H new ATOM 0 HZ PHE B 62 1.905 11.613 1.861 1.00 0.59 H new ATOM 1401 N THR B 63 5.305 7.205 -4.377 1.00 0.35 N ATOM 1402 CA THR B 63 5.660 6.369 -5.513 1.00 0.38 C ATOM 1403 C THR B 63 4.874 5.053 -5.532 1.00 0.30 C ATOM 1404 O THR B 63 4.168 4.747 -6.491 1.00 0.38 O ATOM 1405 CB THR B 63 7.162 6.043 -5.485 1.00 0.49 C ATOM 1406 OG1 THR B 63 7.906 7.196 -5.070 1.00 0.79 O ATOM 1407 CG2 THR B 63 7.644 5.594 -6.853 1.00 0.66 C ATOM 0 H THR B 63 5.862 7.033 -3.540 1.00 0.35 H new ATOM 0 HA THR B 63 5.409 6.934 -6.410 1.00 0.38 H new ATOM 0 HB THR B 63 7.320 5.231 -4.775 1.00 0.49 H new ATOM 0 HG1 THR B 63 7.801 7.323 -4.104 1.00 0.79 H new ATOM 0 HG21 THR B 63 8.710 5.369 -6.808 1.00 0.66 H new ATOM 0 HG22 THR B 63 7.097 4.701 -7.156 1.00 0.66 H new ATOM 0 HG23 THR B 63 7.472 6.389 -7.579 1.00 0.66 H new ATOM 1415 N HIS B 64 4.998 4.284 -4.461 1.00 0.26 N ATOM 1416 CA HIS B 64 4.458 2.922 -4.442 1.00 0.25 C ATOM 1417 C HIS B 64 3.066 2.868 -3.843 1.00 0.25 C ATOM 1418 O HIS B 64 2.369 1.862 -3.968 1.00 0.54 O ATOM 1419 CB HIS B 64 5.393 1.967 -3.714 1.00 0.34 C ATOM 1420 CG HIS B 64 6.610 1.648 -4.515 1.00 0.43 C ATOM 1421 ND1 HIS B 64 6.582 0.835 -5.627 1.00 0.86 N ATOM 1422 CD2 HIS B 64 7.886 2.067 -4.390 1.00 0.71 C ATOM 1423 CE1 HIS B 64 7.789 0.767 -6.152 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.604 1.507 -5.424 1.00 0.68 N ATOM 0 H HIS B 64 5.462 4.571 -3.599 1.00 0.26 H new ATOM 0 HA HIS B 64 4.380 2.600 -5.481 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.692 2.408 -2.763 1.00 0.34 H new ATOM 0 HB3 HIS B 64 4.860 1.045 -3.484 1.00 0.34 H new ATOM 0 HD1 HIS B 64 5.755 0.359 -5.988 1.00 0.86 H new ATOM 0 HD2 HIS B 64 8.273 2.720 -3.622 1.00 0.71 H new ATOM 0 HE1 HIS B 64 8.065 0.201 -7.030 1.00 0.83 H new ATOM 1433 N LEU B 65 2.662 3.961 -3.220 1.00 0.32 N ATOM 1434 CA LEU B 65 1.397 4.024 -2.499 1.00 0.22 C ATOM 1435 C LEU B 65 0.213 3.721 -3.419 1.00 0.21 C ATOM 1436 O LEU B 65 -0.732 3.044 -3.020 1.00 0.24 O ATOM 1437 CB LEU B 65 1.239 5.401 -1.839 1.00 0.29 C ATOM 1438 CG LEU B 65 2.001 5.601 -0.515 1.00 0.36 C ATOM 1439 CD1 LEU B 65 1.479 4.661 0.552 1.00 0.84 C ATOM 1440 CD2 LEU B 65 3.496 5.391 -0.695 1.00 0.99 C ATOM 0 H LEU B 65 3.198 4.829 -3.198 1.00 0.32 H new ATOM 0 HA LEU B 65 1.407 3.259 -1.722 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.570 6.162 -2.546 1.00 0.29 H new ATOM 0 HB3 LEU B 65 0.179 5.576 -1.656 1.00 0.29 H new ATOM 0 HG LEU B 65 1.834 6.631 -0.198 1.00 0.36 H new ATOM 0 HD11 LEU B 65 2.031 4.819 1.478 1.00 0.84 H new ATOM 0 HD12 LEU B 65 0.420 4.856 0.723 1.00 0.84 H new ATOM 0 HD13 LEU B 65 1.609 3.630 0.224 1.00 0.84 H new ATOM 0 HD21 LEU B 65 4.002 5.540 0.259 1.00 0.99 H new ATOM 0 HD22 LEU B 65 3.681 4.377 -1.049 1.00 0.99 H new ATOM 0 HD23 LEU B 65 3.879 6.105 -1.424 1.00 0.99 H new ATOM 1452 N GLU B 66 0.280 4.212 -4.653 1.00 0.31 N ATOM 1453 CA GLU B 66 -0.780 3.972 -5.628 1.00 0.40 C ATOM 1454 C GLU B 66 -0.925 2.484 -5.940 1.00 0.38 C ATOM 1455 O GLU B 66 -2.020 1.927 -5.855 1.00 0.38 O ATOM 1456 CB GLU B 66 -0.498 4.732 -6.922 1.00 0.53 C ATOM 1457 CG GLU B 66 -1.575 4.535 -7.975 1.00 0.88 C ATOM 1458 CD GLU B 66 -1.239 5.199 -9.290 1.00 1.12 C ATOM 1459 OE1 GLU B 66 -0.547 4.569 -10.118 1.00 1.75 O ATOM 1460 OE2 GLU B 66 -1.673 6.347 -9.510 1.00 1.75 O ATOM 0 H GLU B 66 1.055 4.777 -5.001 1.00 0.31 H new ATOM 0 HA GLU B 66 -1.712 4.329 -5.189 1.00 0.40 H new ATOM 0 HB2 GLU B 66 -0.406 5.795 -6.699 1.00 0.53 H new ATOM 0 HB3 GLU B 66 0.461 4.407 -7.326 1.00 0.53 H new ATOM 0 HG2 GLU B 66 -1.724 3.468 -8.140 1.00 0.88 H new ATOM 0 HG3 GLU B 66 -2.518 4.935 -7.602 1.00 0.88 H new ATOM 1467 N ARG B 67 0.187 1.842 -6.289 1.00 0.42 N ATOM 1468 CA ARG B 67 0.153 0.451 -6.723 1.00 0.44 C ATOM 1469 C ARG B 67 -0.293 -0.449 -5.582 1.00 0.39 C ATOM 1470 O ARG B 67 -0.942 -1.473 -5.797 1.00 0.40 O ATOM 1471 CB ARG B 67 1.524 -0.003 -7.224 1.00 0.54 C ATOM 1472 CG ARG B 67 1.449 -1.179 -8.186 1.00 0.74 C ATOM 1473 CD ARG B 67 2.793 -1.867 -8.357 1.00 0.86 C ATOM 1474 NE ARG B 67 3.006 -2.904 -7.350 1.00 1.08 N ATOM 1475 CZ ARG B 67 4.046 -3.730 -7.329 1.00 1.45 C ATOM 1476 NH1 ARG B 67 5.064 -3.555 -8.169 1.00 1.71 N ATOM 1477 NH2 ARG B 67 4.081 -4.709 -6.436 1.00 2.07 N ATOM 0 H ARG B 67 1.117 2.261 -6.280 1.00 0.42 H new ATOM 0 HA ARG B 67 -0.561 0.377 -7.544 1.00 0.44 H new ATOM 0 HB2 ARG B 67 2.018 0.833 -7.719 1.00 0.54 H new ATOM 0 HB3 ARG B 67 2.143 -0.279 -6.370 1.00 0.54 H new ATOM 0 HG2 ARG B 67 0.718 -1.900 -7.820 1.00 0.74 H new ATOM 0 HG3 ARG B 67 1.095 -0.831 -9.156 1.00 0.74 H new ATOM 0 HD2 ARG B 67 2.850 -2.309 -9.352 1.00 0.86 H new ATOM 0 HD3 ARG B 67 3.591 -1.127 -8.291 1.00 0.86 H new ATOM 0 HE ARG B 67 2.308 -3.000 -6.612 1.00 1.08 H new ATOM 0 HH11 ARG B 67 5.049 -2.782 -8.835 1.00 1.71 H new ATOM 0 HH12 ARG B 67 5.859 -4.194 -8.147 1.00 1.71 H new ATOM 0 HH21 ARG B 67 3.314 -4.823 -5.773 1.00 2.07 H new ATOM 0 HH22 ARG B 67 4.875 -5.349 -6.411 1.00 2.07 H new ATOM 1491 N LEU B 68 0.042 -0.048 -4.364 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.320 -0.811 -3.184 1.00 0.34 C ATOM 1493 C LEU B 68 -1.829 -0.837 -2.968 1.00 0.31 C ATOM 1494 O LEU B 68 -2.349 -1.747 -2.337 1.00 0.41 O ATOM 1495 CB LEU B 68 0.408 -0.270 -1.954 1.00 0.33 C ATOM 1496 CG LEU B 68 1.825 -0.807 -1.770 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.491 -0.159 -0.570 1.00 0.37 C ATOM 1498 CD2 LEU B 68 1.803 -2.321 -1.612 1.00 0.62 C ATOM 0 H LEU B 68 0.566 0.805 -4.170 1.00 0.36 H new ATOM 0 HA LEU B 68 -0.005 -1.842 -3.343 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.451 0.817 -2.022 1.00 0.33 H new ATOM 0 HB3 LEU B 68 -0.177 -0.511 -1.066 1.00 0.33 H new ATOM 0 HG LEU B 68 2.404 -0.559 -2.659 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.500 -0.555 -0.456 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.539 0.920 -0.719 1.00 0.37 H new ATOM 0 HD13 LEU B 68 1.913 -0.376 0.328 1.00 0.37 H new ATOM 0 HD21 LEU B 68 2.821 -2.688 -1.482 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.207 -2.587 -0.739 1.00 0.62 H new ATOM 0 HD23 LEU B 68 1.365 -2.773 -2.502 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.540 0.134 -3.529 1.00 0.27 N ATOM 1511 CA LEU B 69 -3.999 0.102 -3.489 1.00 0.24 C ATOM 1512 C LEU B 69 -4.494 -0.838 -4.577 1.00 0.25 C ATOM 1513 O LEU B 69 -5.422 -1.635 -4.383 1.00 0.26 O ATOM 1514 CB LEU B 69 -4.617 1.498 -3.683 1.00 0.25 C ATOM 1515 CG LEU B 69 -4.757 2.367 -2.422 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -6.201 2.764 -2.204 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.227 1.650 -1.196 1.00 0.30 C ATOM 0 H LEU B 69 -2.140 0.940 -4.009 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.307 -0.250 -2.505 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -4.010 2.042 -4.407 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -5.606 1.375 -4.124 1.00 0.25 H new ATOM 0 HG LEU B 69 -4.161 3.267 -2.576 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.278 3.378 -1.307 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.556 3.332 -3.064 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -6.810 1.868 -2.084 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -4.341 2.291 -0.322 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -4.786 0.727 -1.044 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.172 1.415 -1.339 1.00 0.30 H new ATOM 1529 N ASP B 70 -3.799 -0.809 -5.696 1.00 0.30 N ATOM 1530 CA ASP B 70 -4.207 -1.589 -6.844 1.00 0.35 C ATOM 1531 C ASP B 70 -4.034 -3.064 -6.534 1.00 0.38 C ATOM 1532 O ASP B 70 -4.783 -3.899 -7.033 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.410 -1.187 -8.085 1.00 0.43 C ATOM 1534 CG ASP B 70 -3.790 -1.995 -9.310 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -3.035 -2.919 -9.675 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -4.845 -1.706 -9.919 1.00 1.56 O ATOM 0 H ASP B 70 -2.953 -0.256 -5.834 1.00 0.30 H new ATOM 0 HA ASP B 70 -5.258 -1.394 -7.057 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -3.571 -0.128 -8.288 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -2.346 -1.315 -7.886 1.00 0.43 H new ATOM 1541 N GLU B 71 -3.055 -3.386 -5.690 1.00 0.42 N ATOM 1542 CA GLU B 71 -2.886 -4.744 -5.204 1.00 0.50 C ATOM 1543 C GLU B 71 -3.779 -5.026 -4.001 1.00 0.46 C ATOM 1544 O GLU B 71 -4.475 -6.028 -3.987 1.00 0.49 O ATOM 1545 CB GLU B 71 -1.437 -4.997 -4.811 1.00 0.61 C ATOM 1546 CG GLU B 71 -0.451 -4.766 -5.939 1.00 0.94 C ATOM 1547 CD GLU B 71 0.980 -4.955 -5.496 1.00 1.47 C ATOM 1548 OE1 GLU B 71 1.414 -6.115 -5.353 1.00 2.14 O ATOM 1549 OE2 GLU B 71 1.676 -3.946 -5.297 1.00 2.18 O ATOM 0 H GLU B 71 -2.369 -2.721 -5.332 1.00 0.42 H new ATOM 0 HA GLU B 71 -3.171 -5.411 -6.018 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -1.178 -4.348 -3.975 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -1.339 -6.024 -4.459 1.00 0.61 H new ATOM 0 HG2 GLU B 71 -0.670 -5.453 -6.756 1.00 0.94 H new ATOM 0 HG3 GLU B 71 -0.578 -3.756 -6.329 1.00 0.94 H new ATOM 1556 N GLU B 72 -3.773 -4.139 -2.998 1.00 0.43 N ATOM 1557 CA GLU B 72 -4.513 -4.392 -1.757 1.00 0.45 C ATOM 1558 C GLU B 72 -6.009 -4.431 -2.032 1.00 0.42 C ATOM 1559 O GLU B 72 -6.704 -5.342 -1.609 1.00 0.47 O ATOM 1560 CB GLU B 72 -4.210 -3.335 -0.692 1.00 0.46 C ATOM 1561 CG GLU B 72 -4.890 -3.597 0.648 1.00 0.57 C ATOM 1562 CD GLU B 72 -4.363 -4.833 1.359 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -4.293 -5.901 0.724 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -4.036 -4.745 2.562 1.00 1.33 O ATOM 0 H GLU B 72 -3.271 -3.251 -3.020 1.00 0.43 H new ATOM 0 HA GLU B 72 -4.189 -5.360 -1.374 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -3.132 -3.287 -0.538 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -4.523 -2.359 -1.063 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -4.753 -2.729 1.293 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -5.962 -3.708 0.488 1.00 0.57 H new ATOM 1571 N ILE B 73 -6.481 -3.465 -2.802 1.00 0.35 N ATOM 1572 CA ILE B 73 -7.887 -3.410 -3.173 1.00 0.35 C ATOM 1573 C ILE B 73 -8.230 -4.646 -3.978 1.00 0.40 C ATOM 1574 O ILE B 73 -9.295 -5.237 -3.822 1.00 0.45 O ATOM 1575 CB ILE B 73 -8.211 -2.136 -3.989 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -8.190 -0.924 -3.067 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.549 -2.251 -4.704 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.466 0.384 -3.765 1.00 0.27 C ATOM 0 H ILE B 73 -5.913 -2.708 -3.183 1.00 0.35 H new ATOM 0 HA ILE B 73 -8.487 -3.375 -2.264 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.449 -2.016 -4.759 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -8.930 -1.067 -2.280 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -7.216 -0.866 -2.582 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -9.741 -1.337 -5.266 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.524 -3.099 -5.388 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -10.342 -2.399 -3.971 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.433 1.197 -3.040 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -7.712 0.552 -4.534 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.453 0.349 -4.227 1.00 0.27 H new ATOM 1590 N SER B 74 -7.289 -5.053 -4.808 1.00 0.41 N ATOM 1591 CA SER B 74 -7.464 -6.244 -5.633 1.00 0.49 C ATOM 1592 C SER B 74 -7.526 -7.528 -4.789 1.00 0.54 C ATOM 1593 O SER B 74 -8.397 -8.377 -4.996 1.00 0.60 O ATOM 1594 CB SER B 74 -6.327 -6.340 -6.653 1.00 0.52 C ATOM 1595 OG SER B 74 -6.346 -7.568 -7.358 1.00 1.34 O ATOM 0 H SER B 74 -6.394 -4.580 -4.933 1.00 0.41 H new ATOM 0 HA SER B 74 -8.418 -6.149 -6.152 1.00 0.49 H new ATOM 0 HB2 SER B 74 -6.405 -5.515 -7.361 1.00 0.52 H new ATOM 0 HB3 SER B 74 -5.371 -6.231 -6.141 1.00 0.52 H new ATOM 0 HG SER B 74 -6.180 -7.402 -8.309 1.00 1.34 H new ATOM 1601 N ARG B 75 -6.622 -7.655 -3.827 1.00 0.56 N ATOM 1602 CA ARG B 75 -6.503 -8.888 -3.056 1.00 0.63 C ATOM 1603 C ARG B 75 -7.554 -8.949 -1.956 1.00 0.65 C ATOM 1604 O ARG B 75 -8.029 -10.028 -1.604 1.00 0.72 O ATOM 1605 CB ARG B 75 -5.091 -9.051 -2.479 1.00 0.74 C ATOM 1606 CG ARG B 75 -4.632 -7.896 -1.613 1.00 0.76 C ATOM 1607 CD ARG B 75 -3.243 -8.133 -1.043 1.00 1.26 C ATOM 1608 NE ARG B 75 -3.185 -9.319 -0.190 1.00 1.84 N ATOM 1609 CZ ARG B 75 -3.257 -9.283 1.140 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -3.514 -8.143 1.767 1.00 3.06 N ATOM 1611 NH2 ARG B 75 -3.109 -10.398 1.840 1.00 3.67 N ATOM 0 H ARG B 75 -5.962 -6.924 -3.562 1.00 0.56 H new ATOM 0 HA ARG B 75 -6.680 -9.721 -3.736 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -5.056 -9.967 -1.890 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -4.387 -9.174 -3.302 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -4.631 -6.979 -2.202 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -5.340 -7.750 -0.797 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -2.531 -8.242 -1.861 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -2.936 -7.260 -0.468 1.00 1.26 H new ATOM 0 HE ARG B 75 -3.083 -10.229 -0.640 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -3.658 -7.287 1.231 1.00 3.06 H new ATOM 0 HH12 ARG B 75 -3.568 -8.122 2.785 1.00 3.06 H new ATOM 0 HH21 ARG B 75 -2.940 -11.282 1.361 1.00 3.67 H new ATOM 0 HH22 ARG B 75 -3.164 -10.372 2.858 1.00 3.67 H new ATOM 1625 N VAL B 76 -7.927 -7.789 -1.432 1.00 0.62 N ATOM 1626 CA VAL B 76 -8.995 -7.696 -0.445 1.00 0.67 C ATOM 1627 C VAL B 76 -10.328 -8.116 -1.063 1.00 0.71 C ATOM 1628 O VAL B 76 -11.171 -8.712 -0.397 1.00 0.84 O ATOM 1629 CB VAL B 76 -9.106 -6.260 0.128 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -10.399 -6.071 0.902 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -7.917 -5.946 1.024 1.00 0.59 C ATOM 0 H VAL B 76 -7.503 -6.894 -1.676 1.00 0.62 H new ATOM 0 HA VAL B 76 -8.752 -8.372 0.375 1.00 0.67 H new ATOM 0 HB VAL B 76 -9.108 -5.570 -0.716 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -10.445 -5.054 1.290 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -11.248 -6.246 0.241 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -10.433 -6.778 1.731 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -8.014 -4.934 1.416 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -7.888 -6.654 1.852 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -6.996 -6.025 0.447 1.00 0.59 H new ATOM 1641 N ARG B 77 -10.486 -7.850 -2.354 1.00 0.66 N ATOM 1642 CA ARG B 77 -11.724 -8.180 -3.051 1.00 0.73 C ATOM 1643 C ARG B 77 -11.768 -9.665 -3.383 1.00 0.87 C ATOM 1644 O ARG B 77 -12.840 -10.256 -3.489 1.00 0.98 O ATOM 1645 CB ARG B 77 -11.870 -7.352 -4.329 1.00 0.75 C ATOM 1646 CG ARG B 77 -12.200 -5.891 -4.075 1.00 0.80 C ATOM 1647 CD ARG B 77 -12.221 -5.089 -5.368 1.00 0.84 C ATOM 1648 NE ARG B 77 -13.247 -5.563 -6.296 1.00 1.38 N ATOM 1649 CZ ARG B 77 -13.188 -5.409 -7.618 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -12.152 -4.794 -8.179 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -14.171 -5.869 -8.379 1.00 2.73 N ATOM 0 H ARG B 77 -9.776 -7.408 -2.938 1.00 0.66 H new ATOM 0 HA ARG B 77 -12.557 -7.941 -2.389 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -10.943 -7.412 -4.898 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -12.653 -7.790 -4.948 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -13.170 -5.817 -3.584 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -11.464 -5.464 -3.393 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -12.398 -4.038 -5.139 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -11.244 -5.150 -5.847 1.00 0.84 H new ATOM 0 HE ARG B 77 -14.059 -6.042 -5.907 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -11.395 -4.436 -7.597 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -12.114 -4.680 -9.192 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -14.969 -6.339 -7.952 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -14.129 -5.753 -9.392 1.00 2.73 H new ATOM 1665 N LYS B 78 -10.596 -10.267 -3.530 1.00 0.90 N ATOM 1666 CA LYS B 78 -10.502 -11.675 -3.856 1.00 1.08 C ATOM 1667 C LYS B 78 -10.612 -12.525 -2.591 1.00 1.12 C ATOM 1668 O LYS B 78 -11.275 -13.561 -2.586 1.00 1.32 O ATOM 1669 CB LYS B 78 -9.195 -11.938 -4.629 1.00 1.13 C ATOM 1670 CG LYS B 78 -8.570 -13.305 -4.388 1.00 1.35 C ATOM 1671 CD LYS B 78 -7.500 -13.230 -3.311 1.00 2.01 C ATOM 1672 CE LYS B 78 -6.195 -12.671 -3.855 1.00 2.67 C ATOM 1673 NZ LYS B 78 -5.103 -12.707 -2.844 1.00 3.44 N ATOM 0 H LYS B 78 -9.697 -9.797 -3.427 1.00 0.90 H new ATOM 0 HA LYS B 78 -11.333 -11.962 -4.500 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -9.393 -11.828 -5.695 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -8.470 -11.171 -4.359 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -9.342 -14.015 -4.091 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -8.134 -13.678 -5.314 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -7.851 -12.603 -2.492 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -7.327 -14.224 -2.900 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -5.894 -13.243 -4.733 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -6.351 -11.643 -4.183 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -4.233 -12.316 -3.259 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -5.377 -12.140 -2.017 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -4.935 -13.690 -2.549 1.00 3.44 H new ATOM 1687 N ASP B 79 -9.971 -12.079 -1.516 1.00 1.02 N ATOM 1688 CA ASP B 79 -10.022 -12.790 -0.238 1.00 1.20 C ATOM 1689 C ASP B 79 -11.342 -12.529 0.499 1.00 1.42 C ATOM 1690 O ASP B 79 -11.539 -12.993 1.622 1.00 1.68 O ATOM 1691 CB ASP B 79 -8.827 -12.372 0.629 1.00 1.24 C ATOM 1692 CG ASP B 79 -8.634 -13.244 1.858 1.00 1.59 C ATOM 1693 OD1 ASP B 79 -8.503 -12.691 2.971 1.00 2.21 O ATOM 1694 OD2 ASP B 79 -8.602 -14.486 1.718 1.00 1.94 O ATOM 0 H ASP B 79 -9.409 -11.228 -1.502 1.00 1.02 H new ATOM 0 HA ASP B 79 -9.968 -13.860 -0.436 1.00 1.20 H new ATOM 0 HB2 ASP B 79 -7.921 -12.405 0.024 1.00 1.24 H new ATOM 0 HB3 ASP B 79 -8.962 -11.338 0.945 1.00 1.24 H new ATOM 1699 N MET B 80 -12.245 -11.788 -0.138 1.00 1.50 N ATOM 1700 CA MET B 80 -13.561 -11.521 0.438 1.00 1.83 C ATOM 1701 C MET B 80 -14.300 -12.808 0.770 1.00 2.16 C ATOM 1702 O MET B 80 -14.345 -13.744 -0.029 1.00 2.63 O ATOM 1703 CB MET B 80 -14.408 -10.659 -0.496 1.00 2.04 C ATOM 1704 CG MET B 80 -14.147 -9.176 -0.326 1.00 1.58 C ATOM 1705 SD MET B 80 -14.485 -8.618 1.355 1.00 1.43 S ATOM 1706 CE MET B 80 -13.812 -6.964 1.293 1.00 0.99 C ATOM 0 H MET B 80 -12.090 -11.362 -1.052 1.00 1.50 H new ATOM 0 HA MET B 80 -13.396 -10.973 1.366 1.00 1.83 H new ATOM 0 HB2 MET B 80 -14.205 -10.943 -1.529 1.00 2.04 H new ATOM 0 HB3 MET B 80 -15.463 -10.861 -0.312 1.00 2.04 H new ATOM 0 HG2 MET B 80 -13.109 -8.960 -0.578 1.00 1.58 H new ATOM 0 HG3 MET B 80 -14.768 -8.616 -1.025 1.00 1.58 H new ATOM 0 HE1 MET B 80 -13.324 -6.734 2.240 1.00 0.99 H new ATOM 0 HE2 MET B 80 -13.084 -6.897 0.484 1.00 0.99 H new ATOM 0 HE3 MET B 80 -14.617 -6.250 1.117 1.00 0.99 H new ATOM 1716 N TYR B 81 -14.866 -12.843 1.961 1.00 2.56 N ATOM 1717 CA TYR B 81 -15.557 -14.016 2.458 1.00 3.13 C ATOM 1718 C TYR B 81 -17.064 -13.847 2.316 1.00 3.70 C ATOM 1719 O TYR B 81 -17.644 -13.010 3.033 1.00 4.25 O ATOM 1720 CB TYR B 81 -15.161 -14.293 3.919 1.00 3.71 C ATOM 1721 CG TYR B 81 -15.154 -13.069 4.821 1.00 4.11 C ATOM 1722 CD1 TYR B 81 -14.123 -12.135 4.753 1.00 4.28 C ATOM 1723 CD2 TYR B 81 -16.168 -12.853 5.745 1.00 4.77 C ATOM 1724 CE1 TYR B 81 -14.107 -11.026 5.577 1.00 4.93 C ATOM 1725 CE2 TYR B 81 -16.159 -11.745 6.570 1.00 5.51 C ATOM 1726 CZ TYR B 81 -15.127 -10.837 6.482 1.00 5.53 C ATOM 1727 OH TYR B 81 -15.112 -9.735 7.308 1.00 6.40 O ATOM 1728 OXT TYR B 81 -17.667 -14.548 1.478 1.00 4.07 O ATOM 0 H TYR B 81 -14.859 -12.058 2.612 1.00 2.56 H new ATOM 0 HA TYR B 81 -15.260 -14.878 1.861 1.00 3.13 H new ATOM 0 HB2 TYR B 81 -15.850 -15.029 4.334 1.00 3.71 H new ATOM 0 HB3 TYR B 81 -14.168 -14.743 3.933 1.00 3.71 H new ATOM 0 HD1 TYR B 81 -13.322 -12.280 4.044 1.00 4.28 H new ATOM 0 HD2 TYR B 81 -16.978 -13.564 5.820 1.00 4.77 H new ATOM 0 HE1 TYR B 81 -13.299 -10.312 5.511 1.00 4.93 H new ATOM 0 HE2 TYR B 81 -16.958 -11.591 7.281 1.00 5.51 H new ATOM 0 HH TYR B 81 -15.903 -9.749 7.886 1.00 6.40 H new TER 1738 TYR B 81