USER MOD reduce.3.24.130724 H: found=0, std=0, add=1166, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1166 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 3 LYS NZ :NH3+ 162:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.0467 (180deg=-0.671) USER MOD Single : A 7 THR OG1 : rot 13:sc= 0.758 USER MOD Single : A 10 SER OG : rot 62:sc= 0.471 USER MOD Single : A 13 GLN : amide:sc= 0.354 K(o=0.35,f=-8.4!) USER MOD Single : A 14 LYS NZ :NH3+ 154:sc= -0.192 (180deg=-1.01) USER MOD Single : A 15 LYS NZ :NH3+ 150:sc= -3.63! (180deg=-6.96!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 34 TYR OH : rot 140:sc= 0.0199 USER MOD Single : A 36 SER OG : rot -80:sc= 0.274 USER MOD Single : A 37 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.1!) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.233 F(o=-1.9,f=-0.23) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= 1.42 (180deg=1.17) USER MOD Single : A 55 GLN : amide:sc= -2.38! C(o=-2.4!,f=-2.7!) USER MOD Single : A 56 GLN : amide:sc= -1.6! C(o=-1.6!,f=-5!) USER MOD Single : A 60 SER OG : rot 180:sc= -1.1 USER MOD Single : A 61 HIS : no HE2:sc= -1.12! C(o=-1.1!,f=-4!) USER MOD Single : A 63 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.064) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 141:sc= -0.0619 (180deg=-0.673) USER MOD Single : B 7 THR OG1 : rot 17:sc= 0.659 USER MOD Single : B 10 SER OG : rot 64:sc= 0.465 USER MOD Single : B 13 GLN : amide:sc= 0.182 K(o=0.18,f=-8.5!) USER MOD Single : B 14 LYS NZ :NH3+ 159:sc= -0.169 (180deg=-1.03) USER MOD Single : B 15 LYS NZ :NH3+ 155:sc= -3.53! (180deg=-7!) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot 180:sc= -0.267 USER MOD Single : B 34 TYR OH : rot 134:sc= 0.00323 USER MOD Single : B 36 SER OG : rot -79:sc= 0.247 USER MOD Single : B 37 GLN :FLIP amide:sc= -0.0151 F(o=-0.9!,f=-0.015) USER MOD Single : B 42 ASN : amide:sc= -0.165 K(o=-0.17,f=-2.1!) USER MOD Single : B 45 GLN :FLIP amide:sc= -0.15 F(o=-2.1,f=-0.15) USER MOD Single : B 53 LYS NZ :NH3+ 164:sc= 1.41 (180deg=1.12) USER MOD Single : B 55 GLN : amide:sc= -6.44! C(o=-6.4!,f=-10!) USER MOD Single : B 56 GLN : amide:sc= -1.91! C(o=-1.9!,f=-5.4!) USER MOD Single : B 60 SER OG : rot 180:sc= -0.975 USER MOD Single : B 61 HIS : no HE2:sc= -1.25! C(o=-1.3!,f=-4.1!) USER MOD Single : B 63 GLN : amide:sc= -0.485 X(o=-0.49,f=-0.07) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.278 -14.925 7.100 1.00 4.10 N ATOM 2 CA MET A 1 -8.093 -13.767 6.226 1.00 3.64 C ATOM 3 C MET A 1 -6.686 -13.372 6.247 1.00 3.20 C ATOM 4 O MET A 1 -6.100 -13.226 7.342 1.00 3.61 O ATOM 5 CB MET A 1 -8.977 -12.625 6.730 1.00 4.44 C ATOM 6 CG MET A 1 -8.537 -12.202 8.133 1.00 5.32 C ATOM 7 SD MET A 1 -9.629 -10.902 8.731 1.00 5.98 S ATOM 8 CE MET A 1 -8.684 -10.709 10.251 1.00 6.70 C ATOM 0 H1 MET A 1 -9.178 -14.832 7.614 1.00 4.10 H new ATOM 0 H2 MET A 1 -8.294 -15.793 6.527 1.00 4.10 H new ATOM 0 H3 MET A 1 -7.494 -14.974 7.781 1.00 4.10 H new ATOM 0 HA MET A 1 -8.374 -14.012 5.202 1.00 3.64 H new ATOM 0 HB2 MET A 1 -8.913 -11.777 6.049 1.00 4.44 H new ATOM 0 HB3 MET A 1 -10.020 -12.942 6.747 1.00 4.44 H new ATOM 0 HG2 MET A 1 -8.566 -13.057 8.809 1.00 5.32 H new ATOM 0 HG3 MET A 1 -7.507 -11.847 8.112 1.00 5.32 H new ATOM 0 HE1 MET A 1 -9.138 -9.932 10.866 1.00 6.70 H new ATOM 0 HE2 MET A 1 -8.682 -11.651 10.800 1.00 6.70 H new ATOM 0 HE3 MET A 1 -7.659 -10.428 10.009 1.00 6.70 H new ATOM 20 N GLU A 2 -6.034 -13.143 5.097 1.00 2.52 N ATOM 21 CA GLU A 2 -4.659 -12.820 5.098 1.00 2.21 C ATOM 22 C GLU A 2 -4.227 -12.470 3.749 1.00 1.84 C ATOM 23 O GLU A 2 -3.801 -11.319 3.509 1.00 1.98 O ATOM 24 CB GLU A 2 -3.873 -14.051 5.564 1.00 2.47 C ATOM 25 CG GLU A 2 -2.359 -13.842 5.455 1.00 2.84 C ATOM 26 CD GLU A 2 -1.910 -12.738 6.297 1.00 3.40 C ATOM 27 OE1 GLU A 2 -2.232 -12.698 7.505 1.00 3.98 O ATOM 28 OE2 GLU A 2 -1.167 -11.854 5.816 1.00 3.74 O ATOM 0 H GLU A 2 -6.464 -13.183 4.173 1.00 2.52 H new ATOM 0 HA GLU A 2 -4.483 -11.974 5.762 1.00 2.21 H new ATOM 0 HB2 GLU A 2 -4.134 -14.277 6.598 1.00 2.47 H new ATOM 0 HB3 GLU A 2 -4.164 -14.914 4.965 1.00 2.47 H new ATOM 0 HG2 GLU A 2 -1.842 -14.757 5.746 1.00 2.84 H new ATOM 0 HG3 GLU A 2 -2.092 -13.642 4.417 1.00 2.84 H new ATOM 35 N LYS A 3 -4.264 -13.394 2.779 1.00 1.84 N ATOM 36 CA LYS A 3 -3.819 -13.082 1.479 1.00 1.95 C ATOM 37 C LYS A 3 -4.935 -13.034 0.540 1.00 1.67 C ATOM 38 O LYS A 3 -6.062 -13.444 0.888 1.00 1.92 O ATOM 39 CB LYS A 3 -2.824 -14.140 1.005 1.00 2.60 C ATOM 40 CG LYS A 3 -3.532 -15.496 0.984 1.00 3.26 C ATOM 41 CD LYS A 3 -2.564 -16.572 0.492 1.00 3.92 C ATOM 42 CE LYS A 3 -2.198 -16.288 -0.966 1.00 4.14 C ATOM 43 NZ LYS A 3 -1.356 -17.367 -1.478 1.00 4.84 N ATOM 0 H LYS A 3 -4.601 -14.349 2.902 1.00 1.84 H new ATOM 0 HA LYS A 3 -3.342 -12.103 1.514 1.00 1.95 H new ATOM 0 HB2 LYS A 3 -2.451 -13.892 0.011 1.00 2.60 H new ATOM 0 HB3 LYS A 3 -1.961 -14.173 1.670 1.00 2.60 H new ATOM 0 HG2 LYS A 3 -3.892 -15.745 1.982 1.00 3.26 H new ATOM 0 HG3 LYS A 3 -4.405 -15.452 0.332 1.00 3.26 H new ATOM 0 HD2 LYS A 3 -1.666 -16.581 1.110 1.00 3.92 H new ATOM 0 HD3 LYS A 3 -3.021 -17.558 0.580 1.00 3.92 H new ATOM 0 HE2 LYS A 3 -3.102 -16.201 -1.568 1.00 4.14 H new ATOM 0 HE3 LYS A 3 -1.673 -15.336 -1.041 1.00 4.14 H new ATOM 0 HZ1 LYS A 3 -1.108 -17.173 -2.469 1.00 4.84 H new ATOM 0 HZ2 LYS A 3 -0.487 -17.429 -0.909 1.00 4.84 H new ATOM 0 HZ3 LYS A 3 -1.873 -18.268 -1.420 1.00 4.84 H new ATOM 57 N ARG A 4 -4.705 -12.538 -0.684 1.00 1.50 N ATOM 58 CA ARG A 4 -5.679 -12.470 -1.706 1.00 1.29 C ATOM 59 C ARG A 4 -6.167 -13.803 -2.062 1.00 1.50 C ATOM 60 O ARG A 4 -5.366 -14.593 -2.606 1.00 1.81 O ATOM 61 CB ARG A 4 -4.933 -11.873 -2.902 1.00 1.45 C ATOM 62 CG ARG A 4 -5.791 -11.805 -4.163 1.00 1.70 C ATOM 63 CD ARG A 4 -4.885 -11.346 -5.309 1.00 2.73 C ATOM 64 NE ARG A 4 -3.844 -12.284 -5.491 1.00 3.33 N ATOM 65 CZ ARG A 4 -2.559 -11.895 -5.509 1.00 4.45 C ATOM 66 NH1 ARG A 4 -2.227 -10.607 -5.356 1.00 5.09 N ATOM 67 NH2 ARG A 4 -1.582 -12.797 -5.683 1.00 5.20 N ATOM 0 H ARG A 4 -3.797 -12.169 -0.968 1.00 1.50 H new ATOM 0 HA ARG A 4 -6.545 -11.885 -1.396 1.00 1.29 H new ATOM 0 HB2 ARG A 4 -4.591 -10.870 -2.647 1.00 1.45 H new ATOM 0 HB3 ARG A 4 -4.044 -12.471 -3.105 1.00 1.45 H new ATOM 0 HG2 ARG A 4 -6.226 -12.780 -4.384 1.00 1.70 H new ATOM 0 HG3 ARG A 4 -6.619 -11.110 -4.027 1.00 1.70 H new ATOM 0 HD2 ARG A 4 -5.464 -11.247 -6.227 1.00 2.73 H new ATOM 0 HD3 ARG A 4 -4.469 -10.363 -5.087 1.00 2.73 H new ATOM 0 HE ARG A 4 -4.072 -13.271 -5.610 1.00 3.33 H new ATOM 0 HH11 ARG A 4 -2.955 -9.905 -5.223 1.00 5.09 H new ATOM 0 HH12 ARG A 4 -1.246 -10.328 -5.372 1.00 5.09 H new ATOM 0 HH21 ARG A 4 -1.814 -13.783 -5.802 1.00 5.20 H new ATOM 0 HH22 ARG A 4 -0.607 -12.497 -5.696 1.00 5.20 H new ATOM 81 N PRO A 5 -7.413 -14.218 -1.766 1.00 1.56 N ATOM 82 CA PRO A 5 -7.874 -15.509 -2.122 1.00 1.84 C ATOM 83 C PRO A 5 -8.178 -15.626 -3.524 1.00 1.57 C ATOM 84 O PRO A 5 -7.375 -16.138 -4.286 1.00 1.86 O ATOM 85 CB PRO A 5 -9.120 -15.680 -1.253 1.00 2.15 C ATOM 86 CG PRO A 5 -9.625 -14.252 -1.059 1.00 2.06 C ATOM 87 CD PRO A 5 -8.357 -13.395 -1.079 1.00 1.65 C ATOM 0 HA PRO A 5 -7.122 -16.280 -1.956 1.00 1.84 H new ATOM 0 HB2 PRO A 5 -9.867 -16.306 -1.742 1.00 2.15 H new ATOM 0 HB3 PRO A 5 -8.882 -16.153 -0.300 1.00 2.15 H new ATOM 0 HG2 PRO A 5 -10.313 -13.962 -1.853 1.00 2.06 H new ATOM 0 HG3 PRO A 5 -10.162 -14.145 -0.117 1.00 2.06 H new ATOM 0 HD2 PRO A 5 -8.519 -12.450 -1.598 1.00 1.65 H new ATOM 0 HD3 PRO A 5 -8.020 -13.152 -0.071 1.00 1.65 H new ATOM 95 N ARG A 6 -9.338 -15.229 -3.992 1.00 1.20 N ATOM 96 CA ARG A 6 -9.627 -15.297 -5.372 1.00 1.13 C ATOM 97 C ARG A 6 -9.668 -13.928 -5.874 1.00 1.07 C ATOM 98 O ARG A 6 -10.786 -13.410 -6.077 1.00 1.44 O ATOM 99 CB ARG A 6 -11.010 -15.911 -5.614 1.00 1.21 C ATOM 100 CG ARG A 6 -11.006 -17.426 -5.391 1.00 1.55 C ATOM 101 CD ARG A 6 -11.061 -17.728 -3.893 1.00 1.87 C ATOM 102 NE ARG A 6 -11.172 -19.118 -3.685 1.00 2.69 N ATOM 103 CZ ARG A 6 -11.438 -19.586 -2.457 1.00 3.24 C ATOM 104 NH1 ARG A 6 -11.634 -18.734 -1.443 1.00 3.20 N ATOM 105 NH2 ARG A 6 -11.514 -20.907 -2.244 1.00 4.22 N ATOM 0 H ARG A 6 -10.092 -14.855 -3.416 1.00 1.20 H new ATOM 0 HA ARG A 6 -8.871 -15.907 -5.867 1.00 1.13 H new ATOM 0 HB2 ARG A 6 -11.736 -15.447 -4.946 1.00 1.21 H new ATOM 0 HB3 ARG A 6 -11.331 -15.694 -6.633 1.00 1.21 H new ATOM 0 HG2 ARG A 6 -11.860 -17.879 -5.894 1.00 1.55 H new ATOM 0 HG3 ARG A 6 -10.109 -17.865 -5.827 1.00 1.55 H new ATOM 0 HD2 ARG A 6 -10.163 -17.349 -3.404 1.00 1.87 H new ATOM 0 HD3 ARG A 6 -11.910 -17.215 -3.441 1.00 1.87 H new ATOM 0 HE ARG A 6 -11.051 -19.764 -4.465 1.00 2.69 H new ATOM 0 HH11 ARG A 6 -11.581 -17.728 -1.604 1.00 3.20 H new ATOM 0 HH12 ARG A 6 -11.836 -19.091 -0.509 1.00 3.20 H new ATOM 0 HH21 ARG A 6 -11.369 -21.557 -3.016 1.00 4.22 H new ATOM 0 HH22 ARG A 6 -11.716 -21.262 -1.309 1.00 4.22 H new ATOM 119 N THR A 7 -8.539 -13.264 -6.160 1.00 0.98 N ATOM 120 CA THR A 7 -8.538 -11.913 -6.587 1.00 0.88 C ATOM 121 C THR A 7 -9.427 -11.080 -5.771 1.00 0.88 C ATOM 122 O THR A 7 -10.229 -10.280 -6.306 1.00 0.89 O ATOM 123 CB THR A 7 -8.943 -11.817 -8.061 1.00 0.87 C ATOM 124 OG1 THR A 7 -10.259 -12.316 -8.248 1.00 0.95 O ATOM 125 CG2 THR A 7 -7.975 -12.642 -8.912 1.00 0.90 C ATOM 0 H THR A 7 -7.609 -13.678 -6.092 1.00 0.98 H new ATOM 0 HA THR A 7 -7.522 -11.537 -6.465 1.00 0.88 H new ATOM 0 HB THR A 7 -8.910 -10.770 -8.363 1.00 0.87 H new ATOM 0 HG1 THR A 7 -10.697 -12.418 -7.377 1.00 0.95 H new ATOM 0 HG21 THR A 7 -8.264 -12.573 -9.961 1.00 0.90 H new ATOM 0 HG22 THR A 7 -6.963 -12.257 -8.788 1.00 0.90 H new ATOM 0 HG23 THR A 7 -8.008 -13.684 -8.594 1.00 0.90 H new ATOM 133 N GLU A 8 -9.345 -11.152 -4.434 1.00 0.91 N ATOM 134 CA GLU A 8 -10.140 -10.324 -3.614 1.00 0.98 C ATOM 135 C GLU A 8 -9.262 -9.560 -2.738 1.00 0.96 C ATOM 136 O GLU A 8 -8.484 -10.152 -1.957 1.00 1.30 O ATOM 137 CB GLU A 8 -11.099 -11.141 -2.744 1.00 1.20 C ATOM 138 CG GLU A 8 -12.192 -11.769 -3.609 1.00 1.29 C ATOM 139 CD GLU A 8 -13.066 -12.591 -2.776 1.00 1.75 C ATOM 140 OE1 GLU A 8 -13.685 -12.076 -1.821 1.00 2.22 O ATOM 141 OE2 GLU A 8 -13.197 -13.809 -3.023 1.00 2.27 O ATOM 0 H GLU A 8 -8.726 -11.786 -3.929 1.00 0.91 H new ATOM 0 HA GLU A 8 -10.731 -9.672 -4.258 1.00 0.98 H new ATOM 0 HB2 GLU A 8 -10.549 -11.921 -2.217 1.00 1.20 H new ATOM 0 HB3 GLU A 8 -11.549 -10.500 -1.985 1.00 1.20 H new ATOM 0 HG2 GLU A 8 -12.772 -10.989 -4.103 1.00 1.29 H new ATOM 0 HG3 GLU A 8 -11.743 -12.378 -4.394 1.00 1.29 H new ATOM 148 N PHE A 9 -9.295 -8.222 -2.785 1.00 0.75 N ATOM 149 CA PHE A 9 -8.482 -7.465 -1.919 1.00 0.68 C ATOM 150 C PHE A 9 -8.731 -7.852 -0.531 1.00 0.81 C ATOM 151 O PHE A 9 -9.884 -7.817 -0.049 1.00 0.93 O ATOM 152 CB PHE A 9 -8.787 -5.982 -2.147 1.00 0.55 C ATOM 153 CG PHE A 9 -10.227 -5.734 -2.081 1.00 0.57 C ATOM 154 CD1 PHE A 9 -11.115 -6.763 -1.787 1.00 0.82 C ATOM 155 CD2 PHE A 9 -10.714 -4.459 -2.343 1.00 0.87 C ATOM 156 CE1 PHE A 9 -12.483 -6.521 -1.764 1.00 0.89 C ATOM 157 CE2 PHE A 9 -12.083 -4.217 -2.323 1.00 0.92 C ATOM 158 CZ PHE A 9 -12.968 -5.248 -2.035 1.00 0.72 C ATOM 0 H PHE A 9 -9.880 -7.677 -3.418 1.00 0.75 H new ATOM 0 HA PHE A 9 -7.428 -7.650 -2.125 1.00 0.68 H new ATOM 0 HB2 PHE A 9 -8.275 -5.381 -1.396 1.00 0.55 H new ATOM 0 HB3 PHE A 9 -8.404 -5.672 -3.119 1.00 0.55 H new ATOM 0 HD1 PHE A 9 -10.740 -7.754 -1.576 1.00 0.82 H new ATOM 0 HD2 PHE A 9 -10.028 -3.655 -2.563 1.00 0.87 H new ATOM 0 HE1 PHE A 9 -13.169 -7.323 -1.535 1.00 0.89 H new ATOM 0 HE2 PHE A 9 -12.459 -3.226 -2.532 1.00 0.92 H new ATOM 0 HZ PHE A 9 -14.031 -5.060 -2.022 1.00 0.72 H new ATOM 168 N SER A 10 -7.688 -8.215 0.228 1.00 0.92 N ATOM 169 CA SER A 10 -7.845 -8.609 1.573 1.00 1.07 C ATOM 170 C SER A 10 -6.967 -7.767 2.376 1.00 0.95 C ATOM 171 O SER A 10 -6.305 -6.897 1.777 1.00 0.79 O ATOM 172 CB SER A 10 -7.447 -10.080 1.704 1.00 1.27 C ATOM 173 OG SER A 10 -8.314 -10.867 0.899 1.00 1.65 O ATOM 0 H SER A 10 -6.724 -8.233 -0.104 1.00 0.92 H new ATOM 0 HA SER A 10 -8.876 -8.498 1.909 1.00 1.07 H new ATOM 0 HB2 SER A 10 -6.412 -10.219 1.391 1.00 1.27 H new ATOM 0 HB3 SER A 10 -7.510 -10.396 2.745 1.00 1.27 H new ATOM 0 HG SER A 10 -8.219 -10.602 -0.040 1.00 1.65 H new ATOM 179 N GLU A 11 -6.868 -7.917 3.707 1.00 1.08 N ATOM 180 CA GLU A 11 -6.083 -7.063 4.530 1.00 1.08 C ATOM 181 C GLU A 11 -4.839 -6.612 3.903 1.00 0.96 C ATOM 182 O GLU A 11 -4.519 -5.404 3.974 1.00 0.94 O ATOM 183 CB GLU A 11 -5.686 -7.850 5.782 1.00 1.26 C ATOM 184 CG GLU A 11 -6.930 -8.220 6.591 1.00 1.21 C ATOM 185 CD GLU A 11 -7.750 -9.145 5.816 1.00 1.81 C ATOM 186 OE1 GLU A 11 -7.238 -10.186 5.351 1.00 2.60 O ATOM 187 OE2 GLU A 11 -8.959 -8.895 5.616 1.00 2.29 O ATOM 0 H GLU A 11 -7.349 -8.654 4.223 1.00 1.08 H new ATOM 0 HA GLU A 11 -6.691 -6.182 4.737 1.00 1.08 H new ATOM 0 HB2 GLU A 11 -5.147 -8.753 5.497 1.00 1.26 H new ATOM 0 HB3 GLU A 11 -5.009 -7.255 6.395 1.00 1.26 H new ATOM 0 HG2 GLU A 11 -6.640 -8.677 7.537 1.00 1.21 H new ATOM 0 HG3 GLU A 11 -7.501 -7.324 6.832 1.00 1.21 H new ATOM 194 N GLU A 12 -4.051 -7.490 3.266 1.00 0.93 N ATOM 195 CA GLU A 12 -2.851 -7.100 2.633 1.00 0.82 C ATOM 196 C GLU A 12 -3.081 -6.118 1.570 1.00 0.71 C ATOM 197 O GLU A 12 -2.358 -5.101 1.491 1.00 0.70 O ATOM 198 CB GLU A 12 -2.240 -8.359 2.018 1.00 0.85 C ATOM 199 CG GLU A 12 -1.003 -7.974 1.208 1.00 1.17 C ATOM 200 CD GLU A 12 0.056 -7.456 2.066 1.00 2.13 C ATOM 201 OE1 GLU A 12 0.624 -8.201 2.893 1.00 2.73 O ATOM 202 OE2 GLU A 12 0.455 -6.282 1.911 1.00 2.46 O ATOM 0 H GLU A 12 -4.257 -8.486 3.193 1.00 0.93 H new ATOM 0 HA GLU A 12 -2.194 -6.635 3.368 1.00 0.82 H new ATOM 0 HB2 GLU A 12 -1.970 -9.067 2.802 1.00 0.85 H new ATOM 0 HB3 GLU A 12 -2.969 -8.856 1.377 1.00 0.85 H new ATOM 0 HG2 GLU A 12 -0.638 -8.844 0.663 1.00 1.17 H new ATOM 0 HG3 GLU A 12 -1.272 -7.223 0.466 1.00 1.17 H new ATOM 209 N GLN A 13 -4.060 -6.311 0.675 1.00 0.67 N ATOM 210 CA GLN A 13 -4.288 -5.388 -0.370 1.00 0.57 C ATOM 211 C GLN A 13 -4.988 -4.197 0.121 1.00 0.52 C ATOM 212 O GLN A 13 -4.849 -3.113 -0.486 1.00 0.47 O ATOM 213 CB GLN A 13 -5.167 -6.049 -1.435 1.00 0.62 C ATOM 214 CG GLN A 13 -4.420 -7.145 -2.205 1.00 0.82 C ATOM 215 CD GLN A 13 -4.140 -8.305 -1.365 1.00 1.48 C ATOM 216 OE1 GLN A 13 -5.009 -8.742 -0.582 1.00 2.34 O ATOM 217 NE2 GLN A 13 -2.950 -8.917 -1.456 1.00 2.04 N ATOM 0 H GLN A 13 -4.692 -7.111 0.681 1.00 0.67 H new ATOM 0 HA GLN A 13 -3.323 -5.092 -0.781 1.00 0.57 H new ATOM 0 HB2 GLN A 13 -6.049 -6.478 -0.960 1.00 0.62 H new ATOM 0 HB3 GLN A 13 -5.519 -5.291 -2.135 1.00 0.62 H new ATOM 0 HG2 GLN A 13 -5.014 -7.454 -3.065 1.00 0.82 H new ATOM 0 HG3 GLN A 13 -3.484 -6.743 -2.593 1.00 0.82 H new ATOM 0 HE21 GLN A 13 -2.240 -8.560 -2.096 1.00 2.04 H new ATOM 0 HE22 GLN A 13 -2.755 -9.740 -0.886 1.00 2.04 H new ATOM 226 N LYS A 14 -5.793 -4.275 1.192 1.00 0.57 N ATOM 227 CA LYS A 14 -6.516 -3.162 1.679 1.00 0.57 C ATOM 228 C LYS A 14 -5.619 -2.087 2.095 1.00 0.60 C ATOM 229 O LYS A 14 -5.873 -0.911 1.755 1.00 0.60 O ATOM 230 CB LYS A 14 -7.307 -3.606 2.913 1.00 0.65 C ATOM 231 CG LYS A 14 -8.412 -4.592 2.529 1.00 0.67 C ATOM 232 CD LYS A 14 -9.560 -3.857 1.840 1.00 1.04 C ATOM 233 CE LYS A 14 -10.690 -4.844 1.547 1.00 1.36 C ATOM 234 NZ LYS A 14 -11.141 -5.453 2.799 1.00 1.71 N ATOM 0 H LYS A 14 -5.940 -5.132 1.726 1.00 0.57 H new ATOM 0 HA LYS A 14 -7.166 -2.798 0.883 1.00 0.57 H new ATOM 0 HB2 LYS A 14 -6.634 -4.071 3.633 1.00 0.65 H new ATOM 0 HB3 LYS A 14 -7.745 -2.736 3.402 1.00 0.65 H new ATOM 0 HG2 LYS A 14 -8.011 -5.358 1.865 1.00 0.67 H new ATOM 0 HG3 LYS A 14 -8.780 -5.102 3.419 1.00 0.67 H new ATOM 0 HD2 LYS A 14 -9.923 -3.049 2.476 1.00 1.04 H new ATOM 0 HD3 LYS A 14 -9.211 -3.401 0.914 1.00 1.04 H new ATOM 0 HE2 LYS A 14 -11.519 -4.330 1.060 1.00 1.36 H new ATOM 0 HE3 LYS A 14 -10.345 -5.615 0.858 1.00 1.36 H new ATOM 0 HZ1 LYS A 14 -12.131 -5.756 2.701 1.00 1.71 H new ATOM 0 HZ2 LYS A 14 -10.546 -6.278 3.018 1.00 1.71 H new ATOM 0 HZ3 LYS A 14 -11.067 -4.758 3.569 1.00 1.71 H new ATOM 248 N LYS A 15 -4.536 -2.372 2.836 1.00 0.68 N ATOM 249 CA LYS A 15 -3.653 -1.359 3.275 1.00 0.73 C ATOM 250 C LYS A 15 -3.220 -0.503 2.176 1.00 0.66 C ATOM 251 O LYS A 15 -3.239 0.736 2.327 1.00 0.70 O ATOM 252 CB LYS A 15 -2.395 -2.005 3.850 1.00 0.82 C ATOM 253 CG LYS A 15 -2.716 -2.719 5.163 1.00 0.97 C ATOM 254 CD LYS A 15 -1.420 -3.301 5.726 1.00 1.51 C ATOM 255 CE LYS A 15 -1.042 -4.552 4.931 1.00 1.07 C ATOM 256 NZ LYS A 15 -0.805 -4.196 3.533 1.00 1.94 N ATOM 0 H LYS A 15 -4.277 -3.314 3.129 1.00 0.68 H new ATOM 0 HA LYS A 15 -4.187 -0.764 4.015 1.00 0.73 H new ATOM 0 HB2 LYS A 15 -1.983 -2.716 3.133 1.00 0.82 H new ATOM 0 HB3 LYS A 15 -1.633 -1.245 4.019 1.00 0.82 H new ATOM 0 HG2 LYS A 15 -3.159 -2.023 5.875 1.00 0.97 H new ATOM 0 HG3 LYS A 15 -3.446 -3.511 4.995 1.00 0.97 H new ATOM 0 HD2 LYS A 15 -0.620 -2.563 5.667 1.00 1.51 H new ATOM 0 HD3 LYS A 15 -1.547 -3.550 6.780 1.00 1.51 H new ATOM 0 HE2 LYS A 15 -0.148 -5.008 5.356 1.00 1.07 H new ATOM 0 HE3 LYS A 15 -1.840 -5.292 4.998 1.00 1.07 H new ATOM 0 HZ1 LYS A 15 -0.102 -4.844 3.124 1.00 1.94 H new ATOM 0 HZ2 LYS A 15 -1.695 -4.270 3.000 1.00 1.94 H new ATOM 0 HZ3 LYS A 15 -0.449 -3.220 3.479 1.00 1.94 H new ATOM 270 N ALA A 16 -2.813 -1.044 1.019 1.00 0.58 N ATOM 271 CA ALA A 16 -2.350 -0.239 -0.042 1.00 0.53 C ATOM 272 C ALA A 16 -3.338 0.765 -0.432 1.00 0.50 C ATOM 273 O ALA A 16 -2.963 1.917 -0.739 1.00 0.60 O ATOM 274 CB ALA A 16 -2.071 -1.151 -1.239 1.00 0.46 C ATOM 0 H ALA A 16 -2.808 -2.045 0.826 1.00 0.58 H new ATOM 0 HA ALA A 16 -1.451 0.286 0.282 1.00 0.53 H new ATOM 0 HB1 ALA A 16 -1.711 -0.553 -2.076 1.00 0.46 H new ATOM 0 HB2 ALA A 16 -1.315 -1.887 -0.967 1.00 0.46 H new ATOM 0 HB3 ALA A 16 -2.989 -1.663 -1.528 1.00 0.46 H new ATOM 280 N LEU A 17 -4.649 0.488 -0.462 1.00 0.44 N ATOM 281 CA LEU A 17 -5.548 1.488 -0.886 1.00 0.46 C ATOM 282 C LEU A 17 -5.734 2.487 0.167 1.00 0.57 C ATOM 283 O LEU A 17 -6.171 3.617 -0.138 1.00 0.71 O ATOM 284 CB LEU A 17 -6.887 0.837 -1.232 1.00 0.42 C ATOM 285 CG LEU A 17 -6.825 0.243 -2.642 1.00 0.36 C ATOM 286 CD1 LEU A 17 -5.566 -0.610 -2.804 1.00 0.39 C ATOM 287 CD2 LEU A 17 -8.052 -0.638 -2.870 1.00 0.38 C ATOM 0 H LEU A 17 -5.070 -0.403 -0.200 1.00 0.44 H new ATOM 0 HA LEU A 17 -5.143 1.989 -1.765 1.00 0.46 H new ATOM 0 HB2 LEU A 17 -7.120 0.056 -0.508 1.00 0.42 H new ATOM 0 HB3 LEU A 17 -7.687 1.575 -1.173 1.00 0.42 H new ATOM 0 HG LEU A 17 -6.803 1.056 -3.367 1.00 0.36 H new ATOM 0 HD11 LEU A 17 -5.535 -1.026 -3.811 1.00 0.39 H new ATOM 0 HD12 LEU A 17 -4.684 0.009 -2.640 1.00 0.39 H new ATOM 0 HD13 LEU A 17 -5.580 -1.422 -2.077 1.00 0.39 H new ATOM 0 HD21 LEU A 17 -8.013 -1.064 -3.873 1.00 0.38 H new ATOM 0 HD22 LEU A 17 -8.064 -1.442 -2.135 1.00 0.38 H new ATOM 0 HD23 LEU A 17 -8.956 -0.037 -2.766 1.00 0.38 H new ATOM 299 N ASP A 18 -5.438 2.208 1.446 1.00 0.59 N ATOM 300 CA ASP A 18 -5.534 3.206 2.441 1.00 0.70 C ATOM 301 C ASP A 18 -4.424 4.138 2.257 1.00 0.73 C ATOM 302 O ASP A 18 -4.597 5.372 2.356 1.00 0.82 O ATOM 303 CB ASP A 18 -5.412 2.563 3.826 1.00 0.76 C ATOM 304 CG ASP A 18 -5.642 3.562 4.869 1.00 0.97 C ATOM 305 OD1 ASP A 18 -6.758 4.116 4.966 1.00 1.76 O ATOM 306 OD2 ASP A 18 -4.734 3.855 5.678 1.00 1.24 O ATOM 0 H ASP A 18 -5.134 1.294 1.782 1.00 0.59 H new ATOM 0 HA ASP A 18 -6.491 3.721 2.363 1.00 0.70 H new ATOM 0 HB2 ASP A 18 -6.134 1.752 3.923 1.00 0.76 H new ATOM 0 HB3 ASP A 18 -4.422 2.124 3.945 1.00 0.76 H new ATOM 311 N LEU A 19 -3.215 3.631 1.979 1.00 0.68 N ATOM 312 CA LEU A 19 -2.072 4.441 1.814 1.00 0.70 C ATOM 313 C LEU A 19 -2.181 5.263 0.611 1.00 0.71 C ATOM 314 O LEU A 19 -1.733 6.429 0.626 1.00 0.85 O ATOM 315 CB LEU A 19 -0.889 3.489 1.636 1.00 0.60 C ATOM 316 CG LEU A 19 -0.311 3.116 3.001 1.00 0.67 C ATOM 317 CD1 LEU A 19 -1.438 2.875 4.002 1.00 1.15 C ATOM 318 CD2 LEU A 19 0.505 1.831 2.869 1.00 0.69 C ATOM 0 H LEU A 19 -3.035 2.633 1.868 1.00 0.68 H new ATOM 0 HA LEU A 19 -1.956 5.103 2.672 1.00 0.70 H new ATOM 0 HB2 LEU A 19 -1.210 2.590 1.110 1.00 0.60 H new ATOM 0 HB3 LEU A 19 -0.121 3.960 1.023 1.00 0.60 H new ATOM 0 HG LEU A 19 0.319 3.933 3.351 1.00 0.67 H new ATOM 0 HD11 LEU A 19 -1.014 2.610 4.971 1.00 1.15 H new ATOM 0 HD12 LEU A 19 -2.035 3.781 4.103 1.00 1.15 H new ATOM 0 HD13 LEU A 19 -2.071 2.061 3.648 1.00 1.15 H new ATOM 0 HD21 LEU A 19 0.919 1.562 3.841 1.00 0.69 H new ATOM 0 HD22 LEU A 19 -0.138 1.026 2.513 1.00 0.69 H new ATOM 0 HD23 LEU A 19 1.317 1.987 2.159 1.00 0.69 H new ATOM 330 N ALA A 20 -2.746 4.771 -0.501 1.00 0.62 N ATOM 331 CA ALA A 20 -2.855 5.561 -1.666 1.00 0.70 C ATOM 332 C ALA A 20 -3.924 6.548 -1.533 1.00 0.84 C ATOM 333 O ALA A 20 -3.652 7.758 -1.695 1.00 1.21 O ATOM 334 CB ALA A 20 -3.189 4.656 -2.853 1.00 0.72 C ATOM 0 H ALA A 20 -3.124 3.828 -0.586 1.00 0.62 H new ATOM 0 HA ALA A 20 -1.907 6.078 -1.818 1.00 0.70 H new ATOM 0 HB1 ALA A 20 -3.275 5.259 -3.757 1.00 0.72 H new ATOM 0 HB2 ALA A 20 -2.397 3.919 -2.982 1.00 0.72 H new ATOM 0 HB3 ALA A 20 -4.134 4.145 -2.666 1.00 0.72 H new ATOM 340 N PHE A 21 -5.161 6.115 -1.231 1.00 0.88 N ATOM 341 CA PHE A 21 -6.302 6.948 -1.137 1.00 1.18 C ATOM 342 C PHE A 21 -6.128 8.179 -1.915 1.00 1.61 C ATOM 343 O PHE A 21 -6.024 8.104 -3.160 1.00 2.22 O ATOM 344 CB PHE A 21 -6.576 7.203 0.352 1.00 1.29 C ATOM 345 CG PHE A 21 -7.867 7.858 0.568 1.00 1.16 C ATOM 346 CD1 PHE A 21 -9.041 7.204 0.215 1.00 1.41 C ATOM 347 CD2 PHE A 21 -7.929 9.113 1.165 1.00 1.63 C ATOM 348 CE1 PHE A 21 -10.270 7.822 0.414 1.00 1.60 C ATOM 349 CE2 PHE A 21 -9.155 9.734 1.361 1.00 1.73 C ATOM 350 CZ PHE A 21 -10.325 9.091 0.977 1.00 1.50 C ATOM 0 H PHE A 21 -5.367 5.134 -1.045 1.00 0.88 H new ATOM 0 HA PHE A 21 -7.174 6.460 -1.573 1.00 1.18 H new ATOM 0 HB2 PHE A 21 -6.555 6.256 0.892 1.00 1.29 H new ATOM 0 HB3 PHE A 21 -5.781 7.823 0.766 1.00 1.29 H new ATOM 0 HD1 PHE A 21 -8.999 6.214 -0.215 1.00 1.41 H new ATOM 0 HD2 PHE A 21 -7.020 9.606 1.477 1.00 1.63 H new ATOM 0 HE1 PHE A 21 -11.181 7.316 0.131 1.00 1.60 H new ATOM 0 HE2 PHE A 21 -9.199 10.715 1.811 1.00 1.73 H new ATOM 0 HZ PHE A 21 -11.279 9.578 1.116 1.00 1.50 H new ATOM 360 N TYR A 22 -6.122 9.384 -1.329 1.00 1.98 N ATOM 361 CA TYR A 22 -5.917 10.560 -2.077 1.00 2.50 C ATOM 362 C TYR A 22 -4.614 11.109 -1.715 1.00 2.37 C ATOM 363 O TYR A 22 -4.298 12.265 -2.070 1.00 2.86 O ATOM 364 CB TYR A 22 -7.019 11.575 -1.774 1.00 3.05 C ATOM 365 CG TYR A 22 -6.924 12.665 -2.740 1.00 4.37 C ATOM 366 CD1 TYR A 22 -7.106 12.403 -4.093 1.00 4.57 C ATOM 367 CD2 TYR A 22 -6.655 13.960 -2.313 1.00 4.86 C ATOM 368 CE1 TYR A 22 -7.022 13.436 -5.020 1.00 5.05 C ATOM 369 CE2 TYR A 22 -6.566 14.992 -3.240 1.00 5.31 C ATOM 370 CZ TYR A 22 -6.752 14.730 -4.593 1.00 5.70 C ATOM 371 OH TYR A 22 -6.670 15.734 -5.492 1.00 5.94 O ATOM 0 H TYR A 22 -6.261 9.535 -0.330 1.00 1.98 H new ATOM 0 HA TYR A 22 -5.946 10.336 -3.143 1.00 2.50 H new ATOM 0 HB2 TYR A 22 -7.998 11.100 -1.834 1.00 3.05 H new ATOM 0 HB3 TYR A 22 -6.912 11.958 -0.759 1.00 3.05 H new ATOM 0 HD1 TYR A 22 -7.313 11.396 -4.424 1.00 4.57 H new ATOM 0 HD2 TYR A 22 -6.515 14.164 -1.262 1.00 4.86 H new ATOM 0 HE1 TYR A 22 -7.167 13.233 -6.071 1.00 5.05 H new ATOM 0 HE2 TYR A 22 -6.352 15.998 -2.909 1.00 5.31 H new ATOM 0 HH TYR A 22 -6.476 16.575 -5.027 1.00 5.94 H new ATOM 381 N PHE A 23 -3.768 10.365 -0.991 1.00 2.53 N ATOM 382 CA PHE A 23 -2.538 10.891 -0.550 1.00 3.15 C ATOM 383 C PHE A 23 -1.596 10.904 -1.663 1.00 3.06 C ATOM 384 O PHE A 23 -0.833 11.882 -1.821 1.00 3.59 O ATOM 385 CB PHE A 23 -2.022 9.974 0.559 1.00 3.86 C ATOM 386 CG PHE A 23 -2.988 10.005 1.652 1.00 4.35 C ATOM 387 CD1 PHE A 23 -3.253 11.196 2.318 1.00 5.12 C ATOM 388 CD2 PHE A 23 -3.652 8.841 2.022 1.00 4.54 C ATOM 389 CE1 PHE A 23 -4.194 11.225 3.340 1.00 5.84 C ATOM 390 CE2 PHE A 23 -4.589 8.869 3.048 1.00 5.32 C ATOM 391 CZ PHE A 23 -4.864 10.063 3.704 1.00 6.77 C ATOM 0 H PHE A 23 -3.943 9.399 -0.715 1.00 2.53 H new ATOM 0 HA PHE A 23 -2.654 11.909 -0.179 1.00 3.15 H new ATOM 0 HB2 PHE A 23 -1.899 8.957 0.187 1.00 3.86 H new ATOM 0 HB3 PHE A 23 -1.043 10.307 0.905 1.00 3.86 H new ATOM 0 HD1 PHE A 23 -2.728 12.098 2.041 1.00 5.12 H new ATOM 0 HD2 PHE A 23 -3.439 7.913 1.511 1.00 4.54 H new ATOM 0 HE1 PHE A 23 -4.405 12.152 3.852 1.00 5.84 H new ATOM 0 HE2 PHE A 23 -5.103 7.964 3.335 1.00 5.32 H new ATOM 0 HZ PHE A 23 -5.598 10.088 4.496 1.00 6.77 H new ATOM 401 N ASP A 24 -1.586 9.894 -2.542 1.00 2.69 N ATOM 402 CA ASP A 24 -0.735 9.956 -3.663 1.00 2.83 C ATOM 403 C ASP A 24 -1.546 10.236 -4.843 1.00 2.45 C ATOM 404 O ASP A 24 -0.984 10.333 -5.955 1.00 2.75 O ATOM 405 CB ASP A 24 0.022 8.640 -3.854 1.00 3.31 C ATOM 406 CG ASP A 24 0.997 8.810 -4.930 1.00 3.96 C ATOM 407 OD1 ASP A 24 1.822 9.746 -4.883 1.00 4.25 O ATOM 408 OD2 ASP A 24 1.000 8.034 -5.910 1.00 4.50 O ATOM 0 H ASP A 24 -2.158 9.053 -2.473 1.00 2.69 H new ATOM 0 HA ASP A 24 0.002 10.745 -3.510 1.00 2.83 H new ATOM 0 HB2 ASP A 24 0.525 8.356 -2.930 1.00 3.31 H new ATOM 0 HB3 ASP A 24 -0.673 7.837 -4.098 1.00 3.31 H new ATOM 413 N ARG A 25 -2.880 10.360 -4.721 1.00 2.47 N ATOM 414 CA ARG A 25 -3.723 10.635 -5.824 1.00 2.98 C ATOM 415 C ARG A 25 -3.736 9.507 -6.754 1.00 2.31 C ATOM 416 O ARG A 25 -4.272 9.638 -7.875 1.00 2.72 O ATOM 417 CB ARG A 25 -3.267 11.902 -6.556 1.00 4.09 C ATOM 418 CG ARG A 25 -3.260 13.091 -5.592 1.00 4.69 C ATOM 419 CD ARG A 25 -2.912 14.359 -6.373 1.00 5.33 C ATOM 420 NE ARG A 25 -1.622 14.221 -6.927 1.00 5.75 N ATOM 421 CZ ARG A 25 -1.123 15.177 -7.723 1.00 6.57 C ATOM 422 NH1 ARG A 25 -1.852 16.266 -8.002 1.00 7.02 N ATOM 423 NH2 ARG A 25 0.105 15.042 -8.242 1.00 7.21 N ATOM 0 H ARG A 25 -3.375 10.266 -3.834 1.00 2.47 H new ATOM 0 HA ARG A 25 -4.732 10.794 -5.443 1.00 2.98 H new ATOM 0 HB2 ARG A 25 -2.270 11.753 -6.970 1.00 4.09 H new ATOM 0 HB3 ARG A 25 -3.933 12.107 -7.394 1.00 4.09 H new ATOM 0 HG2 ARG A 25 -4.235 13.197 -5.117 1.00 4.69 H new ATOM 0 HG3 ARG A 25 -2.533 12.927 -4.796 1.00 4.69 H new ATOM 0 HD2 ARG A 25 -3.644 14.527 -7.163 1.00 5.33 H new ATOM 0 HD3 ARG A 25 -2.948 15.227 -5.715 1.00 5.33 H new ATOM 0 HE ARG A 25 -1.067 13.390 -6.721 1.00 5.75 H new ATOM 0 HH11 ARG A 25 -2.788 16.368 -7.609 1.00 7.02 H new ATOM 0 HH12 ARG A 25 -1.471 16.993 -8.608 1.00 7.02 H new ATOM 0 HH21 ARG A 25 0.659 14.212 -8.031 1.00 7.21 H new ATOM 0 HH22 ARG A 25 0.485 15.769 -8.848 1.00 7.21 H new ATOM 437 N ARG A 26 -3.166 8.340 -6.417 1.00 1.76 N ATOM 438 CA ARG A 26 -3.093 7.258 -7.318 1.00 1.34 C ATOM 439 C ARG A 26 -4.374 6.562 -7.444 1.00 1.20 C ATOM 440 O ARG A 26 -4.459 5.358 -7.122 1.00 2.05 O ATOM 441 CB ARG A 26 -2.024 6.316 -6.758 1.00 2.02 C ATOM 442 CG ARG A 26 -1.597 5.308 -7.821 1.00 2.50 C ATOM 443 CD ARG A 26 -0.369 4.535 -7.336 1.00 2.91 C ATOM 444 NE ARG A 26 0.634 5.454 -6.962 1.00 3.64 N ATOM 445 CZ ARG A 26 1.891 5.042 -6.752 1.00 4.57 C ATOM 446 NH1 ARG A 26 2.245 3.772 -6.985 1.00 5.01 N ATOM 447 NH2 ARG A 26 2.803 5.907 -6.292 1.00 5.37 N ATOM 0 H ARG A 26 -2.752 8.154 -5.504 1.00 1.76 H new ATOM 0 HA ARG A 26 -2.844 7.610 -8.319 1.00 1.34 H new ATOM 0 HB2 ARG A 26 -1.160 6.892 -6.425 1.00 2.02 H new ATOM 0 HB3 ARG A 26 -2.413 5.792 -5.885 1.00 2.02 H new ATOM 0 HG2 ARG A 26 -2.414 4.617 -8.030 1.00 2.50 H new ATOM 0 HG3 ARG A 26 -1.369 5.824 -8.754 1.00 2.50 H new ATOM 0 HD2 ARG A 26 -0.633 3.901 -6.490 1.00 2.91 H new ATOM 0 HD3 ARG A 26 -0.002 3.878 -8.124 1.00 2.91 H new ATOM 0 HE ARG A 26 0.400 6.441 -6.851 1.00 3.64 H new ATOM 0 HH11 ARG A 26 1.554 3.104 -7.327 1.00 5.01 H new ATOM 0 HH12 ARG A 26 3.206 3.472 -6.821 1.00 5.01 H new ATOM 0 HH21 ARG A 26 2.539 6.874 -6.103 1.00 5.37 H new ATOM 0 HH22 ARG A 26 3.762 5.599 -6.130 1.00 5.37 H new ATOM 461 N LEU A 27 -5.455 7.208 -7.907 1.00 0.90 N ATOM 462 CA LEU A 27 -6.692 6.546 -8.040 1.00 0.73 C ATOM 463 C LEU A 27 -7.278 6.903 -9.332 1.00 0.78 C ATOM 464 O LEU A 27 -8.455 7.318 -9.393 1.00 1.03 O ATOM 465 CB LEU A 27 -7.601 6.973 -6.884 1.00 0.72 C ATOM 466 CG LEU A 27 -8.837 6.074 -6.789 1.00 0.80 C ATOM 467 CD1 LEU A 27 -9.842 6.411 -7.890 1.00 1.23 C ATOM 468 CD2 LEU A 27 -8.423 4.608 -6.911 1.00 0.86 C ATOM 0 H LEU A 27 -5.463 8.189 -8.187 1.00 0.90 H new ATOM 0 HA LEU A 27 -6.565 5.464 -8.003 1.00 0.73 H new ATOM 0 HB2 LEU A 27 -7.046 6.932 -5.947 1.00 0.72 H new ATOM 0 HB3 LEU A 27 -7.911 8.008 -7.025 1.00 0.72 H new ATOM 0 HG LEU A 27 -9.309 6.244 -5.821 1.00 0.80 H new ATOM 0 HD11 LEU A 27 -10.711 5.759 -7.801 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -10.156 7.450 -7.790 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -9.377 6.265 -8.865 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -9.307 3.973 -6.843 1.00 0.86 H new ATOM 0 HD22 LEU A 27 -7.934 4.447 -7.872 1.00 0.86 H new ATOM 0 HD23 LEU A 27 -7.733 4.357 -6.106 1.00 0.86 H new ATOM 480 N THR A 28 -6.540 6.834 -10.449 1.00 0.82 N ATOM 481 CA THR A 28 -7.105 7.185 -11.694 1.00 0.94 C ATOM 482 C THR A 28 -7.008 6.021 -12.574 1.00 0.88 C ATOM 483 O THR A 28 -6.284 5.072 -12.213 1.00 0.81 O ATOM 484 CB THR A 28 -6.349 8.387 -12.266 1.00 1.13 C ATOM 485 OG1 THR A 28 -4.996 8.029 -12.486 1.00 1.31 O ATOM 486 CG2 THR A 28 -6.408 9.548 -11.270 1.00 1.26 C ATOM 0 H THR A 28 -5.564 6.538 -10.484 1.00 0.82 H new ATOM 0 HA THR A 28 -8.153 7.468 -11.592 1.00 0.94 H new ATOM 0 HB THR A 28 -6.807 8.690 -13.208 1.00 1.13 H new ATOM 0 HG1 THR A 28 -4.510 8.797 -12.854 1.00 1.31 H new ATOM 0 HG21 THR A 28 -5.870 10.404 -11.677 1.00 1.26 H new ATOM 0 HG22 THR A 28 -7.448 9.823 -11.094 1.00 1.26 H new ATOM 0 HG23 THR A 28 -5.949 9.244 -10.329 1.00 1.26 H new ATOM 494 N PRO A 29 -7.715 5.926 -13.711 1.00 0.93 N ATOM 495 CA PRO A 29 -7.705 4.776 -14.543 1.00 0.90 C ATOM 496 C PRO A 29 -6.417 4.229 -14.856 1.00 0.83 C ATOM 497 O PRO A 29 -6.236 3.027 -14.741 1.00 0.82 O ATOM 498 CB PRO A 29 -8.395 5.269 -15.814 1.00 1.01 C ATOM 499 CG PRO A 29 -9.378 6.305 -15.277 1.00 1.11 C ATOM 500 CD PRO A 29 -8.600 6.963 -14.137 1.00 1.07 C ATOM 0 HA PRO A 29 -8.191 3.946 -14.030 1.00 0.90 H new ATOM 0 HB2 PRO A 29 -7.686 5.708 -16.516 1.00 1.01 H new ATOM 0 HB3 PRO A 29 -8.904 4.461 -16.339 1.00 1.01 H new ATOM 0 HG2 PRO A 29 -9.660 7.028 -16.042 1.00 1.11 H new ATOM 0 HG3 PRO A 29 -10.298 5.841 -14.922 1.00 1.11 H new ATOM 0 HD2 PRO A 29 -8.055 7.844 -14.476 1.00 1.07 H new ATOM 0 HD3 PRO A 29 -9.260 7.286 -13.332 1.00 1.07 H new ATOM 508 N GLU A 30 -5.417 4.986 -15.238 1.00 0.83 N ATOM 509 CA GLU A 30 -4.192 4.374 -15.580 1.00 0.81 C ATOM 510 C GLU A 30 -3.431 4.015 -14.386 1.00 0.79 C ATOM 511 O GLU A 30 -2.398 3.319 -14.500 1.00 0.85 O ATOM 512 CB GLU A 30 -3.370 5.323 -16.452 1.00 0.89 C ATOM 513 CG GLU A 30 -4.090 5.543 -17.784 1.00 1.46 C ATOM 514 CD GLU A 30 -3.332 6.495 -18.591 1.00 2.09 C ATOM 515 OE1 GLU A 30 -2.148 6.245 -18.904 1.00 2.62 O ATOM 516 OE2 GLU A 30 -3.866 7.561 -18.966 1.00 2.72 O ATOM 0 H GLU A 30 -5.441 6.003 -15.314 1.00 0.83 H new ATOM 0 HA GLU A 30 -4.408 3.460 -16.133 1.00 0.81 H new ATOM 0 HB2 GLU A 30 -3.230 6.275 -15.940 1.00 0.89 H new ATOM 0 HB3 GLU A 30 -2.378 4.906 -16.627 1.00 0.89 H new ATOM 0 HG2 GLU A 30 -4.191 4.597 -18.316 1.00 1.46 H new ATOM 0 HG3 GLU A 30 -5.098 5.919 -17.608 1.00 1.46 H new ATOM 523 N TRP A 31 -3.829 4.409 -13.168 1.00 0.78 N ATOM 524 CA TRP A 31 -3.119 3.982 -12.032 1.00 0.79 C ATOM 525 C TRP A 31 -3.913 2.997 -11.303 1.00 0.70 C ATOM 526 O TRP A 31 -3.420 2.399 -10.323 1.00 0.71 O ATOM 527 CB TRP A 31 -2.726 5.160 -11.146 1.00 0.93 C ATOM 528 CG TRP A 31 -1.476 5.735 -11.641 1.00 1.38 C ATOM 529 CD1 TRP A 31 -0.200 5.462 -11.154 1.00 2.29 C ATOM 530 CD2 TRP A 31 -1.299 6.617 -12.696 1.00 1.67 C ATOM 531 NE1 TRP A 31 0.702 6.157 -11.868 1.00 2.57 N ATOM 532 CE2 TRP A 31 0.054 6.862 -12.806 1.00 2.12 C ATOM 533 CE3 TRP A 31 -2.216 7.206 -13.549 1.00 2.37 C ATOM 534 CZ2 TRP A 31 0.555 7.721 -13.772 1.00 2.59 C ATOM 535 CZ3 TRP A 31 -1.725 8.074 -14.523 1.00 3.11 C ATOM 536 CH2 TRP A 31 -0.356 8.328 -14.633 1.00 3.01 C ATOM 0 H TRP A 31 -4.630 5.013 -12.981 1.00 0.78 H new ATOM 0 HA TRP A 31 -2.190 3.511 -12.352 1.00 0.79 H new ATOM 0 HB2 TRP A 31 -3.514 5.913 -11.150 1.00 0.93 H new ATOM 0 HB3 TRP A 31 -2.606 4.831 -10.114 1.00 0.93 H new ATOM 0 HD1 TRP A 31 0.028 4.798 -10.334 1.00 2.29 H new ATOM 0 HE1 TRP A 31 1.711 6.149 -11.721 1.00 2.57 H new ATOM 0 HE3 TRP A 31 -3.273 7.001 -13.463 1.00 2.37 H new ATOM 0 HZ2 TRP A 31 1.615 7.913 -13.854 1.00 2.59 H new ATOM 0 HZ3 TRP A 31 -2.413 8.557 -15.202 1.00 3.11 H new ATOM 0 HH2 TRP A 31 0.001 9.004 -15.396 1.00 3.01 H new ATOM 547 N ARG A 32 -5.152 2.693 -11.718 1.00 0.69 N ATOM 548 CA ARG A 32 -5.843 1.614 -11.132 1.00 0.62 C ATOM 549 C ARG A 32 -5.235 0.438 -11.740 1.00 0.61 C ATOM 550 O ARG A 32 -5.054 -0.603 -11.074 1.00 0.60 O ATOM 551 CB ARG A 32 -7.327 1.682 -11.491 1.00 0.66 C ATOM 552 CG ARG A 32 -7.983 2.854 -10.760 1.00 0.89 C ATOM 553 CD ARG A 32 -9.377 3.092 -11.341 1.00 0.80 C ATOM 554 NE ARG A 32 -9.857 4.336 -10.887 1.00 0.83 N ATOM 555 CZ ARG A 32 -10.821 4.971 -11.568 1.00 0.85 C ATOM 556 NH1 ARG A 32 -11.343 4.411 -12.668 1.00 0.82 N ATOM 557 NH2 ARG A 32 -11.258 6.167 -11.152 1.00 0.97 N ATOM 0 H ARG A 32 -5.661 3.191 -12.448 1.00 0.69 H new ATOM 0 HA ARG A 32 -5.779 1.611 -10.044 1.00 0.62 H new ATOM 0 HB2 ARG A 32 -7.445 1.801 -12.568 1.00 0.66 H new ATOM 0 HB3 ARG A 32 -7.820 0.749 -11.218 1.00 0.66 H new ATOM 0 HG2 ARG A 32 -8.052 2.640 -9.693 1.00 0.89 H new ATOM 0 HG3 ARG A 32 -7.374 3.751 -10.866 1.00 0.89 H new ATOM 0 HD2 ARG A 32 -9.338 3.078 -12.430 1.00 0.80 H new ATOM 0 HD3 ARG A 32 -10.053 2.293 -11.036 1.00 0.80 H new ATOM 0 HE ARG A 32 -9.471 4.753 -10.040 1.00 0.83 H new ATOM 0 HH11 ARG A 32 -11.007 3.502 -12.986 1.00 0.82 H new ATOM 0 HH12 ARG A 32 -12.077 4.894 -13.187 1.00 0.82 H new ATOM 0 HH21 ARG A 32 -10.857 6.594 -10.317 1.00 0.97 H new ATOM 0 HH22 ARG A 32 -11.992 6.650 -11.670 1.00 0.97 H new ATOM 571 N ARG A 33 -4.841 0.530 -13.020 1.00 0.66 N ATOM 572 CA ARG A 33 -4.151 -0.514 -13.670 1.00 0.69 C ATOM 573 C ARG A 33 -2.847 -0.695 -13.035 1.00 0.72 C ATOM 574 O ARG A 33 -2.433 -1.847 -12.783 1.00 0.73 O ATOM 575 CB ARG A 33 -3.931 -0.093 -15.123 1.00 0.80 C ATOM 576 CG ARG A 33 -3.227 -1.215 -15.887 1.00 1.16 C ATOM 577 CD ARG A 33 -2.924 -0.738 -17.309 1.00 1.14 C ATOM 578 NE ARG A 33 -4.131 -0.425 -17.967 1.00 1.66 N ATOM 579 CZ ARG A 33 -4.308 0.788 -18.508 1.00 2.23 C ATOM 580 NH1 ARG A 33 -3.342 1.712 -18.414 1.00 2.26 N ATOM 581 NH2 ARG A 33 -5.452 1.078 -19.143 1.00 3.10 N ATOM 0 H ARG A 33 -5.009 1.348 -13.606 1.00 0.66 H new ATOM 0 HA ARG A 33 -4.720 -1.442 -13.613 1.00 0.69 H new ATOM 0 HB2 ARG A 33 -4.887 0.135 -15.594 1.00 0.80 H new ATOM 0 HB3 ARG A 33 -3.332 0.817 -15.161 1.00 0.80 H new ATOM 0 HG2 ARG A 33 -2.304 -1.494 -15.379 1.00 1.16 H new ATOM 0 HG3 ARG A 33 -3.857 -2.104 -15.915 1.00 1.16 H new ATOM 0 HD2 ARG A 33 -2.276 0.138 -17.280 1.00 1.14 H new ATOM 0 HD3 ARG A 33 -2.389 -1.513 -17.858 1.00 1.14 H new ATOM 0 HE ARG A 33 -4.871 -1.124 -18.031 1.00 1.66 H new ATOM 0 HH11 ARG A 33 -2.471 1.492 -17.930 1.00 2.26 H new ATOM 0 HH12 ARG A 33 -3.477 2.635 -18.826 1.00 2.26 H new ATOM 0 HH21 ARG A 33 -6.188 0.375 -19.214 1.00 3.10 H new ATOM 0 HH22 ARG A 33 -5.587 2.001 -19.555 1.00 3.10 H new ATOM 595 N TYR A 34 -2.125 0.393 -12.723 1.00 0.74 N ATOM 596 CA TYR A 34 -0.864 0.323 -12.088 1.00 0.77 C ATOM 597 C TYR A 34 -0.943 -0.480 -10.870 1.00 0.65 C ATOM 598 O TYR A 34 -0.116 -1.398 -10.682 1.00 0.68 O ATOM 599 CB TYR A 34 -0.438 1.743 -11.704 1.00 0.84 C ATOM 600 CG TYR A 34 0.881 1.752 -11.079 1.00 0.87 C ATOM 601 CD1 TYR A 34 1.050 1.305 -9.774 1.00 1.37 C ATOM 602 CD2 TYR A 34 1.965 2.273 -11.777 1.00 1.24 C ATOM 603 CE1 TYR A 34 2.305 1.348 -9.179 1.00 1.65 C ATOM 604 CE2 TYR A 34 3.216 2.336 -11.175 1.00 1.18 C ATOM 605 CZ TYR A 34 3.388 1.866 -9.878 1.00 1.19 C ATOM 606 OH TYR A 34 4.604 1.914 -9.296 1.00 1.43 O ATOM 0 H TYR A 34 -2.433 1.345 -12.921 1.00 0.74 H new ATOM 0 HA TYR A 34 -0.147 -0.135 -12.770 1.00 0.77 H new ATOM 0 HB2 TYR A 34 -0.426 2.374 -12.593 1.00 0.84 H new ATOM 0 HB3 TYR A 34 -1.170 2.172 -11.019 1.00 0.84 H new ATOM 0 HD1 TYR A 34 0.204 0.923 -9.221 1.00 1.37 H new ATOM 0 HD2 TYR A 34 1.835 2.629 -12.788 1.00 1.24 H new ATOM 0 HE1 TYR A 34 2.438 0.979 -8.173 1.00 1.65 H new ATOM 0 HE2 TYR A 34 4.055 2.750 -11.715 1.00 1.18 H new ATOM 0 HH TYR A 34 5.291 1.680 -9.954 1.00 1.43 H new ATOM 616 N LEU A 35 -1.871 -0.204 -9.942 1.00 0.56 N ATOM 617 CA LEU A 35 -1.940 -0.948 -8.745 1.00 0.49 C ATOM 618 C LEU A 35 -2.372 -2.321 -8.995 1.00 0.45 C ATOM 619 O LEU A 35 -1.721 -3.272 -8.510 1.00 0.46 O ATOM 620 CB LEU A 35 -2.950 -0.276 -7.814 1.00 0.58 C ATOM 621 CG LEU A 35 -2.387 1.073 -7.366 1.00 0.66 C ATOM 622 CD1 LEU A 35 -3.433 1.818 -6.534 1.00 1.03 C ATOM 623 CD2 LEU A 35 -1.123 0.839 -6.535 1.00 1.32 C ATOM 0 H LEU A 35 -2.569 0.535 -10.028 1.00 0.56 H new ATOM 0 HA LEU A 35 -0.947 -0.977 -8.296 1.00 0.49 H new ATOM 0 HB2 LEU A 35 -3.901 -0.136 -8.327 1.00 0.58 H new ATOM 0 HB3 LEU A 35 -3.145 -0.910 -6.949 1.00 0.58 H new ATOM 0 HG LEU A 35 -2.138 1.676 -8.239 1.00 0.66 H new ATOM 0 HD11 LEU A 35 -3.028 2.779 -6.216 1.00 1.03 H new ATOM 0 HD12 LEU A 35 -4.327 1.982 -7.136 1.00 1.03 H new ATOM 0 HD13 LEU A 35 -3.690 1.225 -5.656 1.00 1.03 H new ATOM 0 HD21 LEU A 35 -0.717 1.798 -6.213 1.00 1.32 H new ATOM 0 HD22 LEU A 35 -1.369 0.237 -5.661 1.00 1.32 H new ATOM 0 HD23 LEU A 35 -0.382 0.316 -7.139 1.00 1.32 H new ATOM 635 N SER A 36 -3.439 -2.575 -9.767 1.00 0.47 N ATOM 636 CA SER A 36 -3.880 -3.902 -9.973 1.00 0.48 C ATOM 637 C SER A 36 -2.901 -4.715 -10.694 1.00 0.59 C ATOM 638 O SER A 36 -3.071 -5.952 -10.730 1.00 0.66 O ATOM 639 CB SER A 36 -5.201 -3.906 -10.745 1.00 0.52 C ATOM 640 OG SER A 36 -5.015 -3.310 -12.018 1.00 1.35 O ATOM 0 H SER A 36 -3.990 -1.861 -10.244 1.00 0.47 H new ATOM 0 HA SER A 36 -4.017 -4.343 -8.986 1.00 0.48 H new ATOM 0 HB2 SER A 36 -5.562 -4.928 -10.861 1.00 0.52 H new ATOM 0 HB3 SER A 36 -5.961 -3.361 -10.186 1.00 0.52 H new ATOM 0 HG SER A 36 -5.030 -2.334 -11.928 1.00 1.35 H new ATOM 646 N GLN A 37 -1.849 -4.150 -11.307 1.00 0.67 N ATOM 647 CA GLN A 37 -0.859 -4.916 -11.959 1.00 0.80 C ATOM 648 C GLN A 37 -0.310 -5.911 -11.043 1.00 0.75 C ATOM 649 O GLN A 37 -0.155 -7.095 -11.417 1.00 0.86 O ATOM 650 CB GLN A 37 0.274 -3.973 -12.366 1.00 0.92 C ATOM 651 CG GLN A 37 1.354 -4.744 -13.125 1.00 1.09 C ATOM 652 CD GLN A 37 2.473 -3.847 -13.398 1.00 2.00 C ATOM 653 OE1 GLN A 37 2.435 -2.581 -12.960 1.00 2.72 O flip ATOM 654 NE2 GLN A 37 3.469 -4.264 -14.028 1.00 2.66 N flip ATOM 0 H GLN A 37 -1.691 -3.143 -11.346 1.00 0.67 H new ATOM 0 HA GLN A 37 -1.295 -5.417 -12.823 1.00 0.80 H new ATOM 0 HB2 GLN A 37 -0.118 -3.170 -12.991 1.00 0.92 H new ATOM 0 HB3 GLN A 37 0.705 -3.506 -11.480 1.00 0.92 H new ATOM 0 HG2 GLN A 37 1.690 -5.598 -12.537 1.00 1.09 H new ATOM 0 HG3 GLN A 37 0.951 -5.138 -14.058 1.00 1.09 H new ATOM 0 HE21 GLN A 37 3.495 -5.228 -14.360 1.00 2.66 H new ATOM 0 HE22 GLN A 37 4.255 -3.640 -14.210 1.00 2.66 H new ATOM 663 N ARG A 38 0.046 -5.542 -9.804 1.00 0.65 N ATOM 664 CA ARG A 38 0.583 -6.491 -8.913 1.00 0.68 C ATOM 665 C ARG A 38 -0.279 -6.612 -7.739 1.00 0.59 C ATOM 666 O ARG A 38 0.054 -7.394 -6.822 1.00 0.65 O ATOM 667 CB ARG A 38 1.973 -6.044 -8.457 1.00 0.74 C ATOM 668 CG ARG A 38 2.939 -5.998 -9.643 1.00 1.20 C ATOM 669 CD ARG A 38 4.299 -5.492 -9.157 1.00 1.55 C ATOM 670 NE ARG A 38 5.224 -5.499 -10.222 1.00 1.76 N ATOM 671 CZ ARG A 38 5.585 -4.351 -10.813 1.00 2.41 C ATOM 672 NH1 ARG A 38 5.091 -3.183 -10.379 1.00 2.88 N ATOM 673 NH2 ARG A 38 6.447 -4.369 -11.839 1.00 3.06 N ATOM 0 H ARG A 38 -0.040 -4.597 -9.431 1.00 0.65 H new ATOM 0 HA ARG A 38 0.651 -7.452 -9.423 1.00 0.68 H new ATOM 0 HB2 ARG A 38 1.911 -5.060 -7.993 1.00 0.74 H new ATOM 0 HB3 ARG A 38 2.351 -6.730 -7.699 1.00 0.74 H new ATOM 0 HG2 ARG A 38 3.042 -6.990 -10.084 1.00 1.20 H new ATOM 0 HG3 ARG A 38 2.549 -5.342 -10.421 1.00 1.20 H new ATOM 0 HD2 ARG A 38 4.199 -4.483 -8.757 1.00 1.55 H new ATOM 0 HD3 ARG A 38 4.662 -6.122 -8.345 1.00 1.55 H new ATOM 0 HE ARG A 38 5.620 -6.382 -10.544 1.00 1.76 H new ATOM 0 HH11 ARG A 38 4.438 -3.165 -9.596 1.00 2.88 H new ATOM 0 HH12 ARG A 38 5.369 -2.312 -10.832 1.00 2.88 H new ATOM 0 HH21 ARG A 38 6.828 -5.256 -12.170 1.00 3.06 H new ATOM 0 HH22 ARG A 38 6.722 -3.496 -12.289 1.00 3.06 H new ATOM 687 N LEU A 39 -1.410 -5.898 -7.626 1.00 0.55 N ATOM 688 CA LEU A 39 -2.212 -6.044 -6.473 1.00 0.47 C ATOM 689 C LEU A 39 -2.952 -7.298 -6.600 1.00 0.51 C ATOM 690 O LEU A 39 -3.060 -8.056 -5.612 1.00 0.53 O ATOM 691 CB LEU A 39 -3.175 -4.862 -6.336 1.00 0.36 C ATOM 692 CG LEU A 39 -3.741 -4.837 -4.917 1.00 0.30 C ATOM 693 CD1 LEU A 39 -2.589 -4.621 -3.936 1.00 0.34 C ATOM 694 CD2 LEU A 39 -4.737 -3.687 -4.771 1.00 0.24 C ATOM 0 H LEU A 39 -1.757 -5.236 -8.320 1.00 0.55 H new ATOM 0 HA LEU A 39 -1.589 -6.063 -5.579 1.00 0.47 H new ATOM 0 HB2 LEU A 39 -2.656 -3.928 -6.550 1.00 0.36 H new ATOM 0 HB3 LEU A 39 -3.984 -4.950 -7.061 1.00 0.36 H new ATOM 0 HG LEU A 39 -4.249 -5.779 -4.711 1.00 0.30 H new ATOM 0 HD11 LEU A 39 -2.977 -4.601 -2.918 1.00 0.34 H new ATOM 0 HD12 LEU A 39 -1.870 -5.434 -4.034 1.00 0.34 H new ATOM 0 HD13 LEU A 39 -2.097 -3.674 -4.156 1.00 0.34 H new ATOM 0 HD21 LEU A 39 -5.135 -3.677 -3.756 1.00 0.24 H new ATOM 0 HD22 LEU A 39 -4.233 -2.742 -4.972 1.00 0.24 H new ATOM 0 HD23 LEU A 39 -5.554 -3.821 -5.480 1.00 0.24 H new ATOM 706 N GLY A 40 -3.483 -7.648 -7.782 1.00 0.56 N ATOM 707 CA GLY A 40 -4.070 -8.921 -7.943 1.00 0.64 C ATOM 708 C GLY A 40 -5.515 -8.886 -8.154 1.00 0.60 C ATOM 709 O GLY A 40 -6.103 -9.953 -8.429 1.00 0.69 O ATOM 0 H GLY A 40 -3.502 -7.053 -8.610 1.00 0.56 H new ATOM 0 HA2 GLY A 40 -3.601 -9.421 -8.790 1.00 0.64 H new ATOM 0 HA3 GLY A 40 -3.857 -9.523 -7.060 1.00 0.64 H new ATOM 713 N LEU A 41 -6.229 -7.757 -8.050 1.00 0.54 N ATOM 714 CA LEU A 41 -7.623 -7.809 -8.266 1.00 0.54 C ATOM 715 C LEU A 41 -8.040 -6.834 -9.271 1.00 0.50 C ATOM 716 O LEU A 41 -7.207 -6.041 -9.758 1.00 0.59 O ATOM 717 CB LEU A 41 -8.413 -7.627 -6.967 1.00 0.56 C ATOM 718 CG LEU A 41 -7.907 -6.455 -6.125 1.00 0.59 C ATOM 719 CD1 LEU A 41 -6.638 -6.875 -5.384 1.00 0.60 C ATOM 720 CD2 LEU A 41 -7.610 -5.249 -7.015 1.00 1.25 C ATOM 0 H LEU A 41 -5.850 -6.838 -7.823 1.00 0.54 H new ATOM 0 HA LEU A 41 -7.848 -8.806 -8.646 1.00 0.54 H new ATOM 0 HB2 LEU A 41 -9.465 -7.469 -7.206 1.00 0.56 H new ATOM 0 HB3 LEU A 41 -8.353 -8.543 -6.379 1.00 0.56 H new ATOM 0 HG LEU A 41 -8.677 -6.175 -5.406 1.00 0.59 H new ATOM 0 HD11 LEU A 41 -6.275 -6.041 -4.783 1.00 0.60 H new ATOM 0 HD12 LEU A 41 -6.859 -7.722 -4.734 1.00 0.60 H new ATOM 0 HD13 LEU A 41 -5.873 -7.162 -6.106 1.00 0.60 H new ATOM 0 HD21 LEU A 41 -7.251 -4.423 -6.401 1.00 1.25 H new ATOM 0 HD22 LEU A 41 -6.847 -5.516 -7.747 1.00 1.25 H new ATOM 0 HD23 LEU A 41 -8.520 -4.947 -7.533 1.00 1.25 H new ATOM 732 N ASN A 42 -9.311 -6.843 -9.700 1.00 0.51 N ATOM 733 CA ASN A 42 -9.757 -5.982 -10.727 1.00 0.53 C ATOM 734 C ASN A 42 -9.773 -4.585 -10.307 1.00 0.43 C ATOM 735 O ASN A 42 -9.990 -4.274 -9.116 1.00 0.38 O ATOM 736 CB ASN A 42 -11.183 -6.372 -11.119 1.00 0.66 C ATOM 737 CG ASN A 42 -11.155 -7.592 -11.920 1.00 0.81 C ATOM 738 OD1 ASN A 42 -10.475 -8.572 -11.546 1.00 1.11 O ATOM 739 ND2 ASN A 42 -11.828 -7.646 -13.077 1.00 1.45 N ATOM 0 H ASN A 42 -10.033 -7.458 -9.325 1.00 0.51 H new ATOM 0 HA ASN A 42 -9.065 -6.085 -11.563 1.00 0.53 H new ATOM 0 HB2 ASN A 42 -11.787 -6.526 -10.225 1.00 0.66 H new ATOM 0 HB3 ASN A 42 -11.649 -5.565 -11.684 1.00 0.66 H new ATOM 0 HD21 ASN A 42 -11.786 -8.487 -13.653 1.00 1.45 H new ATOM 0 HD22 ASN A 42 -12.383 -6.846 -13.382 1.00 1.45 H new ATOM 746 N GLU A 43 -9.579 -3.640 -11.238 1.00 0.47 N ATOM 747 CA GLU A 43 -9.556 -2.263 -10.924 1.00 0.45 C ATOM 748 C GLU A 43 -10.797 -1.830 -10.283 1.00 0.40 C ATOM 749 O GLU A 43 -10.776 -0.879 -9.473 1.00 0.38 O ATOM 750 CB GLU A 43 -9.396 -1.491 -12.235 1.00 0.57 C ATOM 751 CG GLU A 43 -8.048 -1.841 -12.869 1.00 0.68 C ATOM 752 CD GLU A 43 -7.934 -1.184 -14.168 1.00 0.88 C ATOM 753 OE1 GLU A 43 -8.017 0.060 -14.252 1.00 1.78 O ATOM 754 OE2 GLU A 43 -7.751 -1.868 -15.198 1.00 1.31 O ATOM 0 H GLU A 43 -9.436 -3.844 -12.227 1.00 0.47 H new ATOM 0 HA GLU A 43 -8.735 -2.075 -10.232 1.00 0.45 H new ATOM 0 HB2 GLU A 43 -10.208 -1.741 -12.918 1.00 0.57 H new ATOM 0 HB3 GLU A 43 -9.455 -0.419 -12.048 1.00 0.57 H new ATOM 0 HG2 GLU A 43 -7.234 -1.524 -12.217 1.00 0.68 H new ATOM 0 HG3 GLU A 43 -7.959 -2.921 -12.987 1.00 0.68 H new ATOM 761 N GLU A 44 -11.965 -2.435 -10.545 1.00 0.46 N ATOM 762 CA GLU A 44 -13.139 -1.987 -9.903 1.00 0.46 C ATOM 763 C GLU A 44 -13.109 -2.277 -8.470 1.00 0.40 C ATOM 764 O GLU A 44 -13.881 -1.659 -7.706 1.00 0.43 O ATOM 765 CB GLU A 44 -14.357 -2.655 -10.540 1.00 0.60 C ATOM 766 CG GLU A 44 -14.320 -4.160 -10.271 1.00 1.05 C ATOM 767 CD GLU A 44 -15.456 -4.795 -10.932 1.00 1.48 C ATOM 768 OE1 GLU A 44 -15.582 -4.712 -12.173 1.00 2.31 O ATOM 769 OE2 GLU A 44 -16.303 -5.422 -10.258 1.00 1.78 O ATOM 0 H GLU A 44 -12.089 -3.217 -11.188 1.00 0.46 H new ATOM 0 HA GLU A 44 -13.202 -0.906 -10.026 1.00 0.46 H new ATOM 0 HB2 GLU A 44 -15.273 -2.226 -10.134 1.00 0.60 H new ATOM 0 HB3 GLU A 44 -14.366 -2.468 -11.614 1.00 0.60 H new ATOM 0 HG2 GLU A 44 -13.386 -4.584 -10.640 1.00 1.05 H new ATOM 0 HG3 GLU A 44 -14.355 -4.351 -9.198 1.00 1.05 H new ATOM 776 N GLN A 45 -12.258 -3.172 -7.946 1.00 0.40 N ATOM 777 CA GLN A 45 -12.251 -3.395 -6.554 1.00 0.41 C ATOM 778 C GLN A 45 -11.365 -2.411 -5.936 1.00 0.34 C ATOM 779 O GLN A 45 -11.317 -2.299 -4.692 1.00 0.41 O ATOM 780 CB GLN A 45 -11.816 -4.832 -6.249 1.00 0.51 C ATOM 781 CG GLN A 45 -12.866 -5.781 -6.837 1.00 0.60 C ATOM 782 CD GLN A 45 -12.526 -7.181 -6.591 1.00 0.75 C ATOM 783 OE1 GLN A 45 -11.459 -7.516 -5.854 1.00 0.90 O flip ATOM 784 NE2 GLN A 45 -13.244 -8.081 -7.078 1.00 0.97 N flip ATOM 0 H GLN A 45 -11.590 -3.727 -8.481 1.00 0.40 H new ATOM 0 HA GLN A 45 -13.252 -3.275 -6.141 1.00 0.41 H new ATOM 0 HB2 GLN A 45 -10.836 -5.033 -6.682 1.00 0.51 H new ATOM 0 HB3 GLN A 45 -11.726 -4.983 -5.173 1.00 0.51 H new ATOM 0 HG2 GLN A 45 -13.840 -5.561 -6.401 1.00 0.60 H new ATOM 0 HG3 GLN A 45 -12.951 -5.610 -7.910 1.00 0.60 H new ATOM 0 HE21 GLN A 45 -14.059 -7.835 -7.641 1.00 0.97 H new ATOM 0 HE22 GLN A 45 -13.015 -9.061 -6.913 1.00 0.97 H new ATOM 793 N ILE A 46 -10.636 -1.599 -6.716 1.00 0.28 N ATOM 794 CA ILE A 46 -9.870 -0.559 -6.158 1.00 0.30 C ATOM 795 C ILE A 46 -10.820 0.511 -5.878 1.00 0.39 C ATOM 796 O ILE A 46 -10.825 1.098 -4.775 1.00 0.52 O ATOM 797 CB ILE A 46 -8.860 -0.034 -7.184 1.00 0.35 C ATOM 798 CG1 ILE A 46 -7.921 -1.145 -7.656 1.00 0.36 C ATOM 799 CG2 ILE A 46 -8.028 1.075 -6.539 1.00 0.45 C ATOM 800 CD1 ILE A 46 -7.095 -1.659 -6.478 1.00 0.38 C ATOM 0 H ILE A 46 -10.584 -1.671 -7.732 1.00 0.28 H new ATOM 0 HA ILE A 46 -9.328 -0.899 -5.276 1.00 0.30 H new ATOM 0 HB ILE A 46 -9.410 0.345 -8.046 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -8.498 -1.961 -8.091 1.00 0.36 H new ATOM 0 HG13 ILE A 46 -7.261 -0.769 -8.438 1.00 0.36 H new ATOM 0 HG21 ILE A 46 -7.306 1.455 -7.262 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -8.685 1.885 -6.222 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -7.499 0.676 -5.673 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -6.428 -2.450 -6.819 1.00 0.38 H new ATOM 0 HD12 ILE A 46 -6.506 -0.841 -6.063 1.00 0.38 H new ATOM 0 HD13 ILE A 46 -7.761 -2.052 -5.710 1.00 0.38 H new ATOM 812 N GLU A 47 -11.701 0.822 -6.840 1.00 0.38 N ATOM 813 CA GLU A 47 -12.657 1.847 -6.680 1.00 0.47 C ATOM 814 C GLU A 47 -13.595 1.558 -5.595 1.00 0.51 C ATOM 815 O GLU A 47 -14.094 2.512 -4.958 1.00 0.61 O ATOM 816 CB GLU A 47 -13.442 1.954 -7.987 1.00 0.50 C ATOM 817 CG GLU A 47 -12.495 2.371 -9.113 1.00 0.52 C ATOM 818 CD GLU A 47 -13.231 2.419 -10.372 1.00 0.56 C ATOM 819 OE1 GLU A 47 -14.219 3.176 -10.490 1.00 1.11 O ATOM 820 OE2 GLU A 47 -12.869 1.710 -11.336 1.00 1.21 O ATOM 0 H GLU A 47 -11.744 0.348 -7.742 1.00 0.38 H new ATOM 0 HA GLU A 47 -12.139 2.774 -6.434 1.00 0.47 H new ATOM 0 HB2 GLU A 47 -13.908 0.998 -8.224 1.00 0.50 H new ATOM 0 HB3 GLU A 47 -14.245 2.683 -7.883 1.00 0.50 H new ATOM 0 HG2 GLU A 47 -12.061 3.347 -8.895 1.00 0.52 H new ATOM 0 HG3 GLU A 47 -11.669 1.664 -9.189 1.00 0.52 H new ATOM 827 N ARG A 48 -13.919 0.298 -5.263 1.00 0.47 N ATOM 828 CA ARG A 48 -14.833 0.065 -4.211 1.00 0.55 C ATOM 829 C ARG A 48 -14.208 0.271 -2.910 1.00 0.60 C ATOM 830 O ARG A 48 -14.807 0.962 -2.059 1.00 0.68 O ATOM 831 CB ARG A 48 -15.335 -1.381 -4.257 1.00 0.56 C ATOM 832 CG ARG A 48 -16.713 -1.443 -4.920 1.00 0.63 C ATOM 833 CD ARG A 48 -16.634 -1.072 -6.400 1.00 0.60 C ATOM 834 NE ARG A 48 -17.921 -1.179 -6.964 1.00 0.71 N ATOM 835 CZ ARG A 48 -18.100 -0.965 -8.275 1.00 0.80 C ATOM 836 NH1 ARG A 48 -17.055 -0.652 -9.052 1.00 0.80 N ATOM 837 NH2 ARG A 48 -19.327 -1.066 -8.804 1.00 0.94 N ATOM 0 H ARG A 48 -13.553 -0.539 -5.717 1.00 0.47 H new ATOM 0 HA ARG A 48 -15.656 0.768 -4.341 1.00 0.55 H new ATOM 0 HB2 ARG A 48 -14.629 -2.001 -4.810 1.00 0.56 H new ATOM 0 HB3 ARG A 48 -15.391 -1.786 -3.247 1.00 0.56 H new ATOM 0 HG2 ARG A 48 -17.124 -2.447 -4.816 1.00 0.63 H new ATOM 0 HG3 ARG A 48 -17.396 -0.764 -4.409 1.00 0.63 H new ATOM 0 HD2 ARG A 48 -16.255 -0.057 -6.515 1.00 0.60 H new ATOM 0 HD3 ARG A 48 -15.939 -1.732 -6.918 1.00 0.60 H new ATOM 0 HE ARG A 48 -18.717 -1.420 -6.374 1.00 0.71 H new ATOM 0 HH11 ARG A 48 -16.122 -0.576 -8.646 1.00 0.80 H new ATOM 0 HH12 ARG A 48 -17.192 -0.489 -10.050 1.00 0.80 H new ATOM 0 HH21 ARG A 48 -20.121 -1.305 -8.209 1.00 0.94 H new ATOM 0 HH22 ARG A 48 -19.467 -0.904 -9.801 1.00 0.94 H new ATOM 851 N TRP A 49 -13.010 -0.238 -2.596 1.00 0.56 N ATOM 852 CA TRP A 49 -12.496 0.025 -1.309 1.00 0.64 C ATOM 853 C TRP A 49 -12.150 1.439 -1.185 1.00 0.69 C ATOM 854 O TRP A 49 -12.166 1.984 -0.061 1.00 0.81 O ATOM 855 CB TRP A 49 -11.283 -0.852 -1.012 1.00 0.75 C ATOM 856 CG TRP A 49 -10.962 -0.723 0.404 1.00 1.06 C ATOM 857 CD1 TRP A 49 -9.776 -0.268 0.970 1.00 0.90 C ATOM 858 CD2 TRP A 49 -11.810 -1.014 1.459 1.00 1.95 C ATOM 859 NE1 TRP A 49 -9.899 -0.298 2.309 1.00 1.29 N ATOM 860 CE2 TRP A 49 -11.127 -0.739 2.623 1.00 1.98 C ATOM 861 CE3 TRP A 49 -13.111 -1.492 1.465 1.00 2.83 C ATOM 862 CZ2 TRP A 49 -11.719 -0.930 3.862 1.00 2.80 C ATOM 863 CZ3 TRP A 49 -13.717 -1.684 2.704 1.00 3.66 C ATOM 864 CH2 TRP A 49 -13.029 -1.406 3.888 1.00 3.63 C ATOM 0 H TRP A 49 -12.424 -0.807 -3.207 1.00 0.56 H new ATOM 0 HA TRP A 49 -13.268 -0.214 -0.577 1.00 0.64 H new ATOM 0 HB2 TRP A 49 -11.496 -1.892 -1.260 1.00 0.75 H new ATOM 0 HB3 TRP A 49 -10.434 -0.546 -1.623 1.00 0.75 H new ATOM 0 HD1 TRP A 49 -8.902 0.056 0.425 1.00 0.90 H new ATOM 0 HE1 TRP A 49 -9.177 -0.029 2.977 1.00 1.29 H new ATOM 0 HE3 TRP A 49 -13.634 -1.707 0.545 1.00 2.83 H new ATOM 0 HZ2 TRP A 49 -11.184 -0.717 4.776 1.00 2.80 H new ATOM 0 HZ3 TRP A 49 -14.731 -2.052 2.750 1.00 3.66 H new ATOM 0 HH2 TRP A 49 -13.519 -1.562 4.837 1.00 3.63 H new ATOM 875 N PHE A 50 -11.797 2.129 -2.280 1.00 0.65 N ATOM 876 CA PHE A 50 -11.490 3.506 -2.243 1.00 0.72 C ATOM 877 C PHE A 50 -12.632 4.288 -1.771 1.00 0.78 C ATOM 878 O PHE A 50 -12.470 5.147 -0.877 1.00 0.89 O ATOM 879 CB PHE A 50 -11.147 3.953 -3.666 1.00 0.72 C ATOM 880 CG PHE A 50 -10.913 5.393 -3.696 1.00 0.86 C ATOM 881 CD1 PHE A 50 -9.784 5.934 -3.093 1.00 1.33 C ATOM 882 CD2 PHE A 50 -11.811 6.221 -4.360 1.00 1.66 C ATOM 883 CE1 PHE A 50 -9.556 7.304 -3.152 1.00 1.54 C ATOM 884 CE2 PHE A 50 -11.582 7.591 -4.417 1.00 2.06 C ATOM 885 CZ PHE A 50 -10.454 8.133 -3.813 1.00 1.68 C ATOM 0 H PHE A 50 -11.726 1.713 -3.209 1.00 0.65 H new ATOM 0 HA PHE A 50 -10.655 3.666 -1.561 1.00 0.72 H new ATOM 0 HB2 PHE A 50 -10.261 3.425 -4.018 1.00 0.72 H new ATOM 0 HB3 PHE A 50 -11.961 3.695 -4.343 1.00 0.72 H new ATOM 0 HD1 PHE A 50 -9.085 5.291 -2.579 1.00 1.33 H new ATOM 0 HD2 PHE A 50 -12.687 5.800 -4.832 1.00 1.66 H new ATOM 0 HE1 PHE A 50 -8.679 7.725 -2.683 1.00 1.54 H new ATOM 0 HE2 PHE A 50 -12.281 8.234 -4.931 1.00 2.06 H new ATOM 0 HZ PHE A 50 -10.276 9.197 -3.857 1.00 1.68 H new ATOM 895 N ARG A 51 -13.848 4.116 -2.310 1.00 0.74 N ATOM 896 CA ARG A 51 -14.922 4.917 -1.868 1.00 0.81 C ATOM 897 C ARG A 51 -15.398 4.459 -0.562 1.00 0.87 C ATOM 898 O ARG A 51 -15.915 5.290 0.216 1.00 0.99 O ATOM 899 CB ARG A 51 -16.038 4.979 -2.917 1.00 0.79 C ATOM 900 CG ARG A 51 -16.737 3.632 -3.107 1.00 0.78 C ATOM 901 CD ARG A 51 -17.917 3.540 -2.137 1.00 1.14 C ATOM 902 NE ARG A 51 -18.616 2.334 -2.343 1.00 1.47 N ATOM 903 CZ ARG A 51 -19.950 2.356 -2.470 1.00 1.92 C ATOM 904 NH1 ARG A 51 -20.608 3.522 -2.405 1.00 2.21 N ATOM 905 NH2 ARG A 51 -20.626 1.215 -2.660 1.00 2.45 N ATOM 0 H ARG A 51 -14.077 3.436 -3.035 1.00 0.74 H new ATOM 0 HA ARG A 51 -14.567 5.939 -1.740 1.00 0.81 H new ATOM 0 HB2 ARG A 51 -16.772 5.727 -2.618 1.00 0.79 H new ATOM 0 HB3 ARG A 51 -15.620 5.305 -3.869 1.00 0.79 H new ATOM 0 HG2 ARG A 51 -17.086 3.531 -4.135 1.00 0.78 H new ATOM 0 HG3 ARG A 51 -16.037 2.816 -2.926 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -17.558 3.591 -1.109 1.00 1.14 H new ATOM 0 HD3 ARG A 51 -18.586 4.388 -2.284 1.00 1.14 H new ATOM 0 HE ARG A 51 -18.110 1.450 -2.395 1.00 1.47 H new ATOM 0 HH11 ARG A 51 -20.093 4.391 -2.259 1.00 2.21 H new ATOM 0 HH12 ARG A 51 -21.623 3.541 -2.501 1.00 2.21 H new ATOM 0 HH21 ARG A 51 -20.125 0.328 -2.708 1.00 2.45 H new ATOM 0 HH22 ARG A 51 -21.641 1.234 -2.756 1.00 2.45 H new ATOM 919 N ARG A 52 -15.283 3.175 -0.187 1.00 0.83 N ATOM 920 CA ARG A 52 -15.707 2.756 1.096 1.00 0.98 C ATOM 921 C ARG A 52 -14.908 3.443 2.107 1.00 1.11 C ATOM 922 O ARG A 52 -15.459 3.929 3.121 1.00 1.27 O ATOM 923 CB ARG A 52 -15.505 1.246 1.227 1.00 1.02 C ATOM 924 CG ARG A 52 -16.571 0.520 0.403 1.00 1.24 C ATOM 925 CD ARG A 52 -17.945 0.750 1.036 1.00 1.32 C ATOM 926 NE ARG A 52 -17.964 0.194 2.332 1.00 1.80 N ATOM 927 CZ ARG A 52 -19.025 -0.514 2.743 1.00 2.26 C ATOM 928 NH1 ARG A 52 -20.069 -0.699 1.923 1.00 2.17 N ATOM 929 NH2 ARG A 52 -19.043 -1.036 3.977 1.00 3.08 N ATOM 0 H ARG A 52 -14.897 2.435 -0.774 1.00 0.83 H new ATOM 0 HA ARG A 52 -16.762 2.994 1.235 1.00 0.98 H new ATOM 0 HB2 ARG A 52 -14.510 0.969 0.880 1.00 1.02 H new ATOM 0 HB3 ARG A 52 -15.572 0.948 2.273 1.00 1.02 H new ATOM 0 HG2 ARG A 52 -16.565 0.886 -0.624 1.00 1.24 H new ATOM 0 HG3 ARG A 52 -16.351 -0.547 0.362 1.00 1.24 H new ATOM 0 HD2 ARG A 52 -18.162 1.817 1.083 1.00 1.32 H new ATOM 0 HD3 ARG A 52 -18.721 0.294 0.422 1.00 1.32 H new ATOM 0 HE ARG A 52 -17.170 0.331 2.957 1.00 1.80 H new ATOM 0 HH11 ARG A 52 -20.057 -0.301 0.984 1.00 2.17 H new ATOM 0 HH12 ARG A 52 -20.876 -1.238 2.238 1.00 2.17 H new ATOM 0 HH21 ARG A 52 -18.250 -0.894 4.602 1.00 3.08 H new ATOM 0 HH22 ARG A 52 -19.850 -1.575 4.291 1.00 3.08 H new ATOM 943 N LYS A 53 -13.587 3.576 1.915 1.00 1.08 N ATOM 944 CA LYS A 53 -12.757 4.281 2.817 1.00 1.25 C ATOM 945 C LYS A 53 -13.197 5.656 3.083 1.00 1.35 C ATOM 946 O LYS A 53 -12.647 6.282 4.014 1.00 1.57 O ATOM 947 CB LYS A 53 -11.333 4.310 2.258 1.00 1.20 C ATOM 948 CG LYS A 53 -10.589 3.041 2.680 1.00 1.31 C ATOM 949 CD LYS A 53 -10.200 3.168 4.156 1.00 1.89 C ATOM 950 CE LYS A 53 -9.331 1.984 4.582 1.00 2.23 C ATOM 951 NZ LYS A 53 -8.785 2.234 5.915 1.00 2.62 N ATOM 0 H LYS A 53 -13.091 3.183 1.115 1.00 1.08 H new ATOM 0 HA LYS A 53 -12.808 3.752 3.769 1.00 1.25 H new ATOM 0 HB2 LYS A 53 -11.360 4.383 1.171 1.00 1.20 H new ATOM 0 HB3 LYS A 53 -10.806 5.191 2.624 1.00 1.20 H new ATOM 0 HG2 LYS A 53 -11.220 2.165 2.530 1.00 1.31 H new ATOM 0 HG3 LYS A 53 -9.700 2.902 2.065 1.00 1.31 H new ATOM 0 HD2 LYS A 53 -9.659 4.101 4.317 1.00 1.89 H new ATOM 0 HD3 LYS A 53 -11.098 3.209 4.773 1.00 1.89 H new ATOM 0 HE2 LYS A 53 -9.922 1.068 4.585 1.00 2.23 H new ATOM 0 HE3 LYS A 53 -8.521 1.838 3.867 1.00 2.23 H new ATOM 0 HZ1 LYS A 53 -8.413 1.347 6.310 1.00 2.62 H new ATOM 0 HZ2 LYS A 53 -8.018 2.933 5.850 1.00 2.62 H new ATOM 0 HZ3 LYS A 53 -9.536 2.600 6.535 1.00 2.62 H new ATOM 965 N GLU A 54 -14.149 6.278 2.371 1.00 1.24 N ATOM 966 CA GLU A 54 -14.502 7.603 2.693 1.00 1.34 C ATOM 967 C GLU A 54 -15.953 7.774 2.741 1.00 1.32 C ATOM 968 O GLU A 54 -16.426 8.901 2.997 1.00 1.39 O ATOM 969 CB GLU A 54 -13.902 8.527 1.634 1.00 1.34 C ATOM 970 CG GLU A 54 -14.521 8.216 0.272 1.00 1.18 C ATOM 971 CD GLU A 54 -13.842 8.990 -0.763 1.00 1.29 C ATOM 972 OE1 GLU A 54 -13.852 10.239 -0.722 1.00 1.61 O ATOM 973 OE2 GLU A 54 -13.238 8.400 -1.685 1.00 1.87 O ATOM 0 H GLU A 54 -14.660 5.866 1.590 1.00 1.24 H new ATOM 0 HA GLU A 54 -14.113 7.847 3.682 1.00 1.34 H new ATOM 0 HB2 GLU A 54 -14.086 9.568 1.899 1.00 1.34 H new ATOM 0 HB3 GLU A 54 -12.821 8.395 1.592 1.00 1.34 H new ATOM 0 HG2 GLU A 54 -14.437 7.151 0.058 1.00 1.18 H new ATOM 0 HG3 GLU A 54 -15.584 8.456 0.281 1.00 1.18 H new ATOM 980 N GLN A 55 -16.803 6.758 2.541 1.00 1.23 N ATOM 981 CA GLN A 55 -18.188 7.028 2.581 1.00 1.27 C ATOM 982 C GLN A 55 -18.778 6.486 3.802 1.00 1.33 C ATOM 983 O GLN A 55 -19.994 6.673 4.024 1.00 1.41 O ATOM 984 CB GLN A 55 -18.884 6.469 1.338 1.00 1.22 C ATOM 985 CG GLN A 55 -18.828 4.940 1.306 1.00 1.34 C ATOM 986 CD GLN A 55 -19.871 4.376 2.158 1.00 2.13 C ATOM 987 OE1 GLN A 55 -21.061 4.722 1.996 1.00 2.59 O ATOM 988 NE2 GLN A 55 -19.556 3.479 3.102 1.00 2.88 N ATOM 0 H GLN A 55 -16.541 5.789 2.359 1.00 1.23 H new ATOM 0 HA GLN A 55 -18.330 8.109 2.586 1.00 1.27 H new ATOM 0 HB2 GLN A 55 -19.923 6.797 1.323 1.00 1.22 H new ATOM 0 HB3 GLN A 55 -18.410 6.871 0.442 1.00 1.22 H new ATOM 0 HG2 GLN A 55 -18.954 4.586 0.283 1.00 1.34 H new ATOM 0 HG3 GLN A 55 -17.849 4.598 1.643 1.00 1.34 H new ATOM 0 HE21 GLN A 55 -18.585 3.197 3.234 1.00 2.88 H new ATOM 0 HE22 GLN A 55 -20.288 3.078 3.689 1.00 2.88 H new ATOM 997 N GLN A 56 -18.025 5.775 4.654 1.00 1.34 N ATOM 998 CA GLN A 56 -18.561 5.235 5.845 1.00 1.42 C ATOM 999 C GLN A 56 -19.107 6.271 6.723 1.00 1.54 C ATOM 1000 O GLN A 56 -20.280 6.163 7.144 1.00 1.59 O ATOM 1001 CB GLN A 56 -17.467 4.474 6.595 1.00 1.47 C ATOM 1002 CG GLN A 56 -18.056 3.851 7.863 1.00 1.66 C ATOM 1003 CD GLN A 56 -18.892 2.708 7.508 1.00 1.85 C ATOM 1004 OE1 GLN A 56 -19.875 2.860 6.751 1.00 2.42 O ATOM 1005 NE2 GLN A 56 -18.600 1.492 7.992 1.00 2.10 N ATOM 0 H GLN A 56 -17.035 5.576 4.509 1.00 1.34 H new ATOM 0 HA GLN A 56 -19.375 4.567 5.566 1.00 1.42 H new ATOM 0 HB2 GLN A 56 -17.047 3.697 5.957 1.00 1.47 H new ATOM 0 HB3 GLN A 56 -16.652 5.149 6.854 1.00 1.47 H new ATOM 0 HG2 GLN A 56 -17.254 3.534 8.530 1.00 1.66 H new ATOM 0 HG3 GLN A 56 -18.646 4.591 8.403 1.00 1.66 H new ATOM 0 HE21 GLN A 56 -17.798 1.368 8.610 1.00 2.10 H new ATOM 0 HE22 GLN A 56 -19.180 0.691 7.742 1.00 2.10 H new ATOM 1014 N ILE A 57 -18.360 7.311 7.126 1.00 1.64 N ATOM 1015 CA ILE A 57 -18.908 8.238 8.041 1.00 1.81 C ATOM 1016 C ILE A 57 -18.976 9.600 7.512 1.00 1.89 C ATOM 1017 O ILE A 57 -19.281 10.521 8.300 1.00 2.07 O ATOM 1018 CB ILE A 57 -18.068 8.244 9.321 1.00 1.88 C ATOM 1019 CG1 ILE A 57 -16.605 8.542 8.993 1.00 2.08 C ATOM 1020 CG2 ILE A 57 -18.148 6.878 10.006 1.00 1.87 C ATOM 1021 CD1 ILE A 57 -16.429 10.029 8.683 1.00 2.66 C ATOM 0 H ILE A 57 -17.404 7.501 6.825 1.00 1.64 H new ATOM 0 HA ILE A 57 -19.931 7.917 8.240 1.00 1.81 H new ATOM 0 HB ILE A 57 -18.460 9.016 9.984 1.00 1.88 H new ATOM 0 HG12 ILE A 57 -15.971 8.260 9.834 1.00 2.08 H new ATOM 0 HG13 ILE A 57 -16.286 7.944 8.139 1.00 2.08 H new ATOM 0 HG21 ILE A 57 -17.548 6.891 10.916 1.00 1.87 H new ATOM 0 HG22 ILE A 57 -19.185 6.658 10.259 1.00 1.87 H new ATOM 0 HG23 ILE A 57 -17.768 6.110 9.332 1.00 1.87 H new ATOM 0 HD11 ILE A 57 -15.383 10.231 8.451 1.00 2.66 H new ATOM 0 HD12 ILE A 57 -17.049 10.298 7.828 1.00 2.66 H new ATOM 0 HD13 ILE A 57 -16.729 10.619 9.549 1.00 2.66 H new ATOM 1033 N GLY A 58 -18.775 9.900 6.219 1.00 1.79 N ATOM 1034 CA GLY A 58 -18.937 11.247 5.822 1.00 1.90 C ATOM 1035 C GLY A 58 -17.753 11.848 5.205 1.00 1.88 C ATOM 1036 O GLY A 58 -17.483 13.040 5.464 1.00 1.99 O ATOM 0 H GLY A 58 -18.513 9.242 5.485 1.00 1.79 H new ATOM 0 HA2 GLY A 58 -19.767 11.307 5.118 1.00 1.90 H new ATOM 0 HA3 GLY A 58 -19.215 11.838 6.694 1.00 1.90 H new ATOM 1040 N TRP A 59 -16.962 11.138 4.384 1.00 1.76 N ATOM 1041 CA TRP A 59 -15.915 11.736 3.640 1.00 1.74 C ATOM 1042 C TRP A 59 -14.766 12.204 4.419 1.00 1.84 C ATOM 1043 O TRP A 59 -13.888 12.860 3.818 1.00 1.91 O ATOM 1044 CB TRP A 59 -16.484 12.899 2.821 1.00 1.80 C ATOM 1045 CG TRP A 59 -15.459 13.402 1.915 1.00 2.04 C ATOM 1046 CD1 TRP A 59 -15.057 12.819 0.718 1.00 2.09 C ATOM 1047 CD2 TRP A 59 -14.722 14.568 2.044 1.00 2.50 C ATOM 1048 NE1 TRP A 59 -14.111 13.591 0.153 1.00 2.57 N ATOM 1049 CE2 TRP A 59 -13.897 14.655 0.942 1.00 2.86 C ATOM 1050 CE3 TRP A 59 -14.724 15.536 3.036 1.00 2.73 C ATOM 1051 CZ2 TRP A 59 -13.026 15.720 0.779 1.00 3.47 C ATOM 1052 CZ3 TRP A 59 -13.851 16.612 2.882 1.00 3.31 C ATOM 1053 CH2 TRP A 59 -13.013 16.702 1.768 1.00 3.69 C ATOM 0 H TRP A 59 -17.056 10.133 4.238 1.00 1.76 H new ATOM 0 HA TRP A 59 -15.520 10.941 3.007 1.00 1.74 H new ATOM 0 HB2 TRP A 59 -17.354 12.568 2.255 1.00 1.80 H new ATOM 0 HB3 TRP A 59 -16.820 13.695 3.485 1.00 1.80 H new ATOM 0 HD1 TRP A 59 -15.442 11.897 0.309 1.00 2.09 H new ATOM 0 HE1 TRP A 59 -13.635 13.399 -0.729 1.00 2.57 H new ATOM 0 HE3 TRP A 59 -15.376 15.460 3.894 1.00 2.73 H new ATOM 0 HZ2 TRP A 59 -12.380 15.787 -0.084 1.00 3.47 H new ATOM 0 HZ3 TRP A 59 -13.822 17.386 3.634 1.00 3.31 H new ATOM 0 HH2 TRP A 59 -12.345 17.545 1.672 1.00 3.69 H new ATOM 1064 N SER A 60 -14.583 11.955 5.725 1.00 1.88 N ATOM 1065 CA SER A 60 -13.408 12.461 6.331 1.00 1.98 C ATOM 1066 C SER A 60 -12.391 11.413 6.427 1.00 1.92 C ATOM 1067 O SER A 60 -11.243 11.719 6.815 1.00 1.98 O ATOM 1068 CB SER A 60 -13.699 13.084 7.699 1.00 2.09 C ATOM 1069 OG SER A 60 -14.119 12.093 8.622 1.00 2.15 O ATOM 0 H SER A 60 -15.215 11.431 6.330 1.00 1.88 H new ATOM 0 HA SER A 60 -13.019 13.258 5.697 1.00 1.98 H new ATOM 0 HB2 SER A 60 -12.805 13.582 8.075 1.00 2.09 H new ATOM 0 HB3 SER A 60 -14.472 13.847 7.600 1.00 2.09 H new ATOM 0 HG SER A 60 -14.299 12.510 9.491 1.00 2.15 H new ATOM 1075 N HIS A 61 -12.691 10.146 6.093 1.00 1.87 N ATOM 1076 CA HIS A 61 -11.717 9.117 6.050 1.00 1.91 C ATOM 1077 C HIS A 61 -11.011 8.853 7.311 1.00 1.97 C ATOM 1078 O HIS A 61 -9.765 8.760 7.286 1.00 2.60 O ATOM 1079 CB HIS A 61 -10.718 9.509 4.957 1.00 2.74 C ATOM 1080 CG HIS A 61 -9.720 8.471 4.726 1.00 3.15 C ATOM 1081 ND1 HIS A 61 -9.934 7.238 4.250 1.00 4.13 N ATOM 1082 CD2 HIS A 61 -8.352 8.613 4.908 1.00 3.11 C ATOM 1083 CE1 HIS A 61 -8.745 6.628 4.127 1.00 4.69 C ATOM 1084 NE2 HIS A 61 -7.778 7.464 4.532 1.00 4.06 N ATOM 0 H HIS A 61 -13.632 9.836 5.849 1.00 1.87 H new ATOM 0 HA HIS A 61 -12.237 8.181 5.846 1.00 1.91 H new ATOM 0 HB2 HIS A 61 -11.256 9.707 4.030 1.00 2.74 H new ATOM 0 HB3 HIS A 61 -10.218 10.435 5.239 1.00 2.74 H new ATOM 0 HD1 HIS A 61 -10.842 6.833 4.021 1.00 4.13 H new ATOM 0 HD2 HIS A 61 -7.844 9.489 5.284 1.00 3.11 H new ATOM 0 HE1 HIS A 61 -8.591 5.624 3.760 1.00 4.69 H new ATOM 1093 N PRO A 62 -11.636 8.702 8.492 1.00 1.93 N ATOM 1094 CA PRO A 62 -10.924 8.418 9.679 1.00 2.45 C ATOM 1095 C PRO A 62 -10.893 7.009 9.946 1.00 2.07 C ATOM 1096 O PRO A 62 -10.367 6.601 10.969 1.00 2.31 O ATOM 1097 CB PRO A 62 -11.816 9.050 10.744 1.00 3.15 C ATOM 1098 CG PRO A 62 -13.208 8.737 10.196 1.00 2.98 C ATOM 1099 CD PRO A 62 -13.042 8.854 8.677 1.00 2.10 C ATOM 0 HA PRO A 62 -9.894 8.773 9.637 1.00 2.45 H new ATOM 0 HB2 PRO A 62 -11.654 8.611 11.729 1.00 3.15 H new ATOM 0 HB3 PRO A 62 -11.644 10.122 10.840 1.00 3.15 H new ATOM 0 HG2 PRO A 62 -13.536 7.739 10.486 1.00 2.98 H new ATOM 0 HG3 PRO A 62 -13.952 9.439 10.572 1.00 2.98 H new ATOM 0 HD2 PRO A 62 -13.604 8.083 8.150 1.00 2.10 H new ATOM 0 HD3 PRO A 62 -13.396 9.816 8.306 1.00 2.10 H new ATOM 1107 N GLN A 63 -11.453 6.155 9.124 1.00 1.69 N ATOM 1108 CA GLN A 63 -11.516 4.776 9.429 1.00 1.52 C ATOM 1109 C GLN A 63 -10.276 4.077 9.100 1.00 1.57 C ATOM 1110 O GLN A 63 -10.274 3.203 8.207 1.00 1.92 O ATOM 1111 CB GLN A 63 -12.683 4.150 8.666 1.00 1.70 C ATOM 1112 CG GLN A 63 -12.450 4.283 7.162 1.00 2.04 C ATOM 1113 CD GLN A 63 -13.582 3.699 6.451 1.00 2.56 C ATOM 1114 OE1 GLN A 63 -13.811 2.473 6.536 1.00 3.20 O ATOM 1115 NE2 GLN A 63 -14.365 4.482 5.698 1.00 2.72 N ATOM 0 H GLN A 63 -11.873 6.412 8.230 1.00 1.69 H new ATOM 0 HA GLN A 63 -11.664 4.676 10.504 1.00 1.52 H new ATOM 0 HB2 GLN A 63 -12.784 3.099 8.936 1.00 1.70 H new ATOM 0 HB3 GLN A 63 -13.616 4.641 8.943 1.00 1.70 H new ATOM 0 HG2 GLN A 63 -12.336 5.332 6.890 1.00 2.04 H new ATOM 0 HG3 GLN A 63 -11.527 3.778 6.878 1.00 2.04 H new ATOM 0 HE21 GLN A 63 -14.174 5.482 5.632 1.00 2.72 H new ATOM 0 HE22 GLN A 63 -15.153 4.079 5.191 1.00 2.72 H new ATOM 1124 N PHE A 64 -9.153 4.365 9.773 1.00 1.51 N ATOM 1125 CA PHE A 64 -7.939 3.713 9.475 1.00 1.64 C ATOM 1126 C PHE A 64 -7.948 2.376 10.066 1.00 1.92 C ATOM 1127 O PHE A 64 -7.588 1.390 9.387 1.00 2.61 O ATOM 1128 CB PHE A 64 -6.819 4.525 10.127 1.00 1.89 C ATOM 1129 CG PHE A 64 -6.735 5.827 9.474 1.00 3.00 C ATOM 1130 CD1 PHE A 64 -6.319 5.920 8.152 1.00 3.61 C ATOM 1131 CD2 PHE A 64 -7.091 6.975 10.173 1.00 3.73 C ATOM 1132 CE1 PHE A 64 -6.249 7.161 7.531 1.00 4.84 C ATOM 1133 CE2 PHE A 64 -7.028 8.216 9.550 1.00 4.94 C ATOM 1134 CZ PHE A 64 -6.605 8.309 8.229 1.00 5.47 C ATOM 0 H PHE A 64 -9.094 5.053 10.524 1.00 1.51 H new ATOM 0 HA PHE A 64 -7.799 3.631 8.397 1.00 1.64 H new ATOM 0 HB2 PHE A 64 -7.015 4.650 11.192 1.00 1.89 H new ATOM 0 HB3 PHE A 64 -5.870 3.997 10.037 1.00 1.89 H new ATOM 0 HD1 PHE A 64 -6.050 5.027 7.607 1.00 3.61 H new ATOM 0 HD2 PHE A 64 -7.417 6.902 11.200 1.00 3.73 H new ATOM 0 HE1 PHE A 64 -5.918 7.234 6.506 1.00 4.84 H new ATOM 0 HE2 PHE A 64 -7.308 9.107 10.092 1.00 4.94 H new ATOM 0 HZ PHE A 64 -6.553 9.273 7.745 1.00 5.47 H new ATOM 1144 N GLU A 65 -8.383 2.203 11.322 1.00 2.15 N ATOM 1145 CA GLU A 65 -8.446 0.913 11.891 1.00 3.00 C ATOM 1146 C GLU A 65 -9.827 0.625 12.266 1.00 3.61 C ATOM 1147 O GLU A 65 -10.113 -0.482 12.772 1.00 4.51 O ATOM 1148 CB GLU A 65 -7.573 0.842 13.146 1.00 3.51 C ATOM 1149 CG GLU A 65 -6.098 1.023 12.782 1.00 3.70 C ATOM 1150 CD GLU A 65 -5.567 -0.224 12.237 1.00 4.68 C ATOM 1151 OE1 GLU A 65 -6.045 -0.716 11.192 1.00 5.30 O ATOM 1152 OE2 GLU A 65 -4.630 -0.807 12.826 1.00 5.13 O ATOM 0 H GLU A 65 -8.689 2.958 11.936 1.00 2.15 H new ATOM 0 HA GLU A 65 -8.087 0.187 11.161 1.00 3.00 H new ATOM 0 HB2 GLU A 65 -7.877 1.615 13.852 1.00 3.51 H new ATOM 0 HB3 GLU A 65 -7.716 -0.118 13.642 1.00 3.51 H new ATOM 0 HG2 GLU A 65 -5.990 1.825 12.052 1.00 3.70 H new ATOM 0 HG3 GLU A 65 -5.529 1.316 13.664 1.00 3.70 H new ATOM 1159 N LYS A 66 -10.783 1.545 12.076 1.00 3.38 N ATOM 1160 CA LYS A 66 -12.113 1.273 12.455 1.00 4.28 C ATOM 1161 C LYS A 66 -12.991 1.428 11.299 1.00 5.06 C ATOM 1162 O LYS A 66 -12.814 0.726 10.280 1.00 5.16 O ATOM 1163 CB LYS A 66 -12.535 2.262 13.544 1.00 4.09 C ATOM 1164 CG LYS A 66 -11.665 2.058 14.786 1.00 3.93 C ATOM 1165 CD LYS A 66 -12.070 3.064 15.864 1.00 4.32 C ATOM 1166 CE LYS A 66 -11.763 4.481 15.376 1.00 4.83 C ATOM 1167 NZ LYS A 66 -12.101 5.441 16.426 1.00 5.28 N ATOM 1168 OXT LYS A 66 -13.922 2.262 11.330 1.00 5.89 O ATOM 0 H LYS A 66 -10.630 2.465 11.664 1.00 3.38 H new ATOM 0 HA LYS A 66 -12.185 0.253 12.832 1.00 4.28 H new ATOM 0 HB2 LYS A 66 -12.434 3.284 13.180 1.00 4.09 H new ATOM 0 HB3 LYS A 66 -13.586 2.116 13.795 1.00 4.09 H new ATOM 0 HG2 LYS A 66 -11.781 1.041 15.161 1.00 3.93 H new ATOM 0 HG3 LYS A 66 -10.613 2.186 14.531 1.00 3.93 H new ATOM 0 HD2 LYS A 66 -13.132 2.966 16.088 1.00 4.32 H new ATOM 0 HD3 LYS A 66 -11.530 2.861 16.789 1.00 4.32 H new ATOM 0 HE2 LYS A 66 -10.708 4.567 15.115 1.00 4.83 H new ATOM 0 HE3 LYS A 66 -12.333 4.698 14.473 1.00 4.83 H new ATOM 0 HZ1 LYS A 66 -11.893 6.405 16.095 1.00 5.28 H new ATOM 0 HZ2 LYS A 66 -13.113 5.364 16.654 1.00 5.28 H new ATOM 0 HZ3 LYS A 66 -11.538 5.238 17.277 1.00 5.28 H new TER 1182 LYS A 66 ATOM 1183 N MET B 1 8.329 -14.815 -7.364 1.00 4.10 N ATOM 1184 CA MET B 1 8.139 -13.668 -6.476 1.00 3.64 C ATOM 1185 C MET B 1 6.730 -13.279 -6.491 1.00 3.21 C ATOM 1186 O MET B 1 6.142 -13.122 -7.583 1.00 3.62 O ATOM 1187 CB MET B 1 9.016 -12.515 -6.968 1.00 4.45 C ATOM 1188 CG MET B 1 8.571 -12.078 -8.365 1.00 5.33 C ATOM 1189 SD MET B 1 9.656 -10.765 -8.949 1.00 5.99 S ATOM 1190 CE MET B 1 8.707 -10.560 -10.464 1.00 6.70 C ATOM 0 H1 MET B 1 9.228 -14.712 -7.877 1.00 4.10 H new ATOM 0 H2 MET B 1 8.350 -15.690 -6.802 1.00 4.10 H new ATOM 0 H3 MET B 1 7.545 -14.860 -8.045 1.00 4.10 H new ATOM 0 HA MET B 1 8.423 -13.924 -5.455 1.00 3.64 H new ATOM 0 HB2 MET B 1 8.948 -11.675 -6.277 1.00 4.45 H new ATOM 0 HB3 MET B 1 10.061 -12.826 -6.991 1.00 4.45 H new ATOM 0 HG2 MET B 1 8.603 -12.924 -9.051 1.00 5.33 H new ATOM 0 HG3 MET B 1 7.539 -11.728 -8.338 1.00 5.33 H new ATOM 0 HE1 MET B 1 9.155 -9.773 -11.071 1.00 6.70 H new ATOM 0 HE2 MET B 1 8.709 -11.495 -11.024 1.00 6.70 H new ATOM 0 HE3 MET B 1 7.681 -10.287 -10.217 1.00 6.70 H new ATOM 1202 N GLU B 2 6.079 -13.066 -5.337 1.00 2.53 N ATOM 1203 CA GLU B 2 4.703 -12.748 -5.333 1.00 2.22 C ATOM 1204 C GLU B 2 4.271 -12.416 -3.979 1.00 1.85 C ATOM 1205 O GLU B 2 3.841 -11.270 -3.724 1.00 1.99 O ATOM 1206 CB GLU B 2 3.921 -13.977 -5.812 1.00 2.48 C ATOM 1207 CG GLU B 2 2.406 -13.774 -5.702 1.00 2.85 C ATOM 1208 CD GLU B 2 1.954 -12.662 -6.531 1.00 3.41 C ATOM 1209 OE1 GLU B 2 2.274 -12.607 -7.738 1.00 3.99 O ATOM 1210 OE2 GLU B 2 1.209 -11.786 -6.039 1.00 3.75 O ATOM 0 H GLU B 2 6.510 -13.115 -4.414 1.00 2.53 H new ATOM 0 HA GLU B 2 4.523 -11.895 -5.987 1.00 2.22 H new ATOM 0 HB2 GLU B 2 4.183 -14.192 -6.848 1.00 2.48 H new ATOM 0 HB3 GLU B 2 4.214 -14.845 -5.222 1.00 2.48 H new ATOM 0 HG2 GLU B 2 1.893 -14.687 -6.004 1.00 2.85 H new ATOM 0 HG3 GLU B 2 2.137 -13.587 -4.662 1.00 2.85 H new ATOM 1217 N LYS B 3 4.313 -13.352 -3.021 1.00 1.85 N ATOM 1218 CA LYS B 3 3.867 -13.058 -1.716 1.00 1.95 C ATOM 1219 C LYS B 3 4.983 -13.016 -0.778 1.00 1.67 C ATOM 1220 O LYS B 3 6.112 -13.416 -1.131 1.00 1.92 O ATOM 1221 CB LYS B 3 2.877 -14.127 -1.255 1.00 2.60 C ATOM 1222 CG LYS B 3 3.590 -15.480 -1.250 1.00 3.26 C ATOM 1223 CD LYS B 3 2.627 -16.567 -0.771 1.00 3.92 C ATOM 1224 CE LYS B 3 2.260 -16.302 0.690 1.00 4.14 C ATOM 1225 NZ LYS B 3 1.422 -17.392 1.189 1.00 4.84 N ATOM 0 H LYS B 3 4.655 -14.304 -3.156 1.00 1.85 H new ATOM 0 HA LYS B 3 3.385 -12.081 -1.738 1.00 1.95 H new ATOM 0 HB2 LYS B 3 2.503 -13.892 -0.258 1.00 2.60 H new ATOM 0 HB3 LYS B 3 2.014 -14.156 -1.920 1.00 2.60 H new ATOM 0 HG2 LYS B 3 3.951 -15.716 -2.251 1.00 3.26 H new ATOM 0 HG3 LYS B 3 4.462 -15.440 -0.598 1.00 3.26 H new ATOM 0 HD2 LYS B 3 1.729 -16.573 -1.389 1.00 3.92 H new ATOM 0 HD3 LYS B 3 3.089 -17.549 -0.870 1.00 3.92 H new ATOM 0 HE2 LYS B 3 3.164 -16.219 1.294 1.00 4.14 H new ATOM 0 HE3 LYS B 3 1.730 -15.353 0.776 1.00 4.14 H new ATOM 0 HZ1 LYS B 3 1.423 -17.382 2.229 1.00 4.84 H new ATOM 0 HZ2 LYS B 3 0.449 -17.269 0.843 1.00 4.84 H new ATOM 0 HZ3 LYS B 3 1.797 -18.301 0.851 1.00 4.84 H new ATOM 1239 N ARG B 4 4.750 -12.537 0.453 1.00 1.50 N ATOM 1240 CA ARG B 4 5.725 -12.476 1.475 1.00 1.29 C ATOM 1241 C ARG B 4 6.220 -13.812 1.814 1.00 1.50 C ATOM 1242 O ARG B 4 5.422 -14.612 2.349 1.00 1.81 O ATOM 1243 CB ARG B 4 4.976 -11.897 2.678 1.00 1.45 C ATOM 1244 CG ARG B 4 5.835 -11.839 3.939 1.00 1.70 C ATOM 1245 CD ARG B 4 4.927 -11.395 5.090 1.00 2.72 C ATOM 1246 NE ARG B 4 3.889 -12.339 5.262 1.00 3.33 N ATOM 1247 CZ ARG B 4 2.603 -11.953 5.285 1.00 4.45 C ATOM 1248 NH1 ARG B 4 2.269 -10.663 5.148 1.00 5.09 N ATOM 1249 NH2 ARG B 4 1.628 -12.858 5.450 1.00 5.20 N ATOM 0 H ARG B 4 3.840 -12.178 0.742 1.00 1.50 H new ATOM 0 HA ARG B 4 6.588 -11.883 1.173 1.00 1.29 H new ATOM 0 HB2 ARG B 4 4.628 -10.893 2.435 1.00 1.45 H new ATOM 0 HB3 ARG B 4 4.091 -12.502 2.875 1.00 1.45 H new ATOM 0 HG2 ARG B 4 6.274 -12.814 4.150 1.00 1.70 H new ATOM 0 HG3 ARG B 4 6.661 -11.139 3.809 1.00 1.70 H new ATOM 0 HD2 ARG B 4 5.506 -11.303 6.009 1.00 2.72 H new ATOM 0 HD3 ARG B 4 4.507 -10.412 4.878 1.00 2.72 H new ATOM 0 HE ARG B 4 4.120 -13.327 5.370 1.00 3.33 H new ATOM 0 HH11 ARG B 4 2.996 -9.958 5.024 1.00 5.09 H new ATOM 0 HH12 ARG B 4 1.288 -10.385 5.168 1.00 5.09 H new ATOM 0 HH21 ARG B 4 1.861 -13.845 5.559 1.00 5.20 H new ATOM 0 HH22 ARG B 4 0.653 -12.560 5.467 1.00 5.20 H new ATOM 1263 N PRO B 5 7.467 -14.218 1.511 1.00 1.56 N ATOM 1264 CA PRO B 5 7.934 -15.511 1.851 1.00 1.84 C ATOM 1265 C PRO B 5 8.239 -15.646 3.250 1.00 1.57 C ATOM 1266 O PRO B 5 7.438 -16.172 4.006 1.00 1.86 O ATOM 1267 CB PRO B 5 9.180 -15.666 0.978 1.00 2.15 C ATOM 1268 CG PRO B 5 9.679 -14.232 0.803 1.00 2.06 C ATOM 1269 CD PRO B 5 8.407 -13.382 0.834 1.00 1.65 C ATOM 0 HA PRO B 5 7.184 -16.283 1.677 1.00 1.84 H new ATOM 0 HB2 PRO B 5 9.930 -16.295 1.458 1.00 2.15 H new ATOM 0 HB3 PRO B 5 8.943 -16.127 0.019 1.00 2.15 H new ATOM 0 HG2 PRO B 5 10.366 -13.950 1.601 1.00 2.06 H new ATOM 0 HG3 PRO B 5 10.216 -14.110 -0.138 1.00 2.06 H new ATOM 0 HD2 PRO B 5 8.564 -12.443 1.364 1.00 1.65 H new ATOM 0 HD3 PRO B 5 8.069 -13.128 -0.171 1.00 1.65 H new ATOM 1277 N ARG B 6 9.397 -15.251 3.724 1.00 1.20 N ATOM 1278 CA ARG B 6 9.686 -15.339 5.102 1.00 1.13 C ATOM 1279 C ARG B 6 9.719 -13.977 5.622 1.00 1.07 C ATOM 1280 O ARG B 6 10.834 -13.455 5.830 1.00 1.45 O ATOM 1281 CB ARG B 6 11.073 -15.945 5.336 1.00 1.21 C ATOM 1282 CG ARG B 6 11.077 -17.457 5.095 1.00 1.55 C ATOM 1283 CD ARG B 6 11.133 -17.739 3.593 1.00 1.87 C ATOM 1284 NE ARG B 6 11.249 -19.125 3.366 1.00 2.69 N ATOM 1285 CZ ARG B 6 11.515 -19.576 2.132 1.00 3.24 C ATOM 1286 NH1 ARG B 6 11.707 -18.709 1.128 1.00 3.20 N ATOM 1287 NH2 ARG B 6 11.597 -20.893 1.902 1.00 4.21 N ATOM 0 H ARG B 6 10.149 -14.864 3.154 1.00 1.20 H new ATOM 0 HA ARG B 6 8.935 -15.963 5.587 1.00 1.13 H new ATOM 0 HB2 ARG B 6 11.795 -15.469 4.673 1.00 1.21 H new ATOM 0 HB3 ARG B 6 11.393 -15.738 6.357 1.00 1.21 H new ATOM 0 HG2 ARG B 6 11.933 -17.912 5.592 1.00 1.55 H new ATOM 0 HG3 ARG B 6 10.182 -17.906 5.526 1.00 1.55 H new ATOM 0 HD2 ARG B 6 10.234 -17.357 3.109 1.00 1.87 H new ATOM 0 HD3 ARG B 6 11.980 -17.217 3.148 1.00 1.87 H new ATOM 0 HE ARG B 6 11.131 -19.782 4.137 1.00 2.69 H new ATOM 0 HH11 ARG B 6 11.651 -17.706 1.303 1.00 3.20 H new ATOM 0 HH12 ARG B 6 11.909 -19.053 0.189 1.00 3.20 H new ATOM 0 HH21 ARG B 6 11.457 -21.554 2.666 1.00 4.21 H new ATOM 0 HH22 ARG B 6 11.799 -21.235 0.963 1.00 4.21 H new ATOM 1301 N THR B 7 8.585 -13.324 5.916 1.00 0.98 N ATOM 1302 CA THR B 7 8.576 -11.978 6.359 1.00 0.87 C ATOM 1303 C THR B 7 9.462 -11.133 5.554 1.00 0.88 C ATOM 1304 O THR B 7 10.263 -10.348 6.107 1.00 0.89 O ATOM 1305 CB THR B 7 8.983 -11.892 7.834 1.00 0.86 C ATOM 1306 OG1 THR B 7 10.301 -12.386 8.015 1.00 0.94 O ATOM 1307 CG2 THR B 7 8.020 -12.729 8.677 1.00 0.90 C ATOM 0 H THR B 7 7.658 -13.743 5.843 1.00 0.98 H new ATOM 0 HA THR B 7 7.557 -11.609 6.242 1.00 0.87 H new ATOM 0 HB THR B 7 8.946 -10.848 8.145 1.00 0.86 H new ATOM 0 HG1 THR B 7 10.761 -12.416 7.150 1.00 0.94 H new ATOM 0 HG21 THR B 7 8.308 -12.669 9.726 1.00 0.90 H new ATOM 0 HG22 THR B 7 7.006 -12.348 8.557 1.00 0.90 H new ATOM 0 HG23 THR B 7 8.058 -13.768 8.349 1.00 0.90 H new ATOM 1315 N GLU B 8 9.380 -11.180 4.215 1.00 0.91 N ATOM 1316 CA GLU B 8 10.175 -10.339 3.409 1.00 0.98 C ATOM 1317 C GLU B 8 9.297 -9.565 2.542 1.00 0.96 C ATOM 1318 O GLU B 8 8.520 -10.148 1.754 1.00 1.30 O ATOM 1319 CB GLU B 8 11.139 -11.138 2.527 1.00 1.20 C ATOM 1320 CG GLU B 8 12.233 -11.778 3.381 1.00 1.29 C ATOM 1321 CD GLU B 8 13.111 -12.582 2.536 1.00 1.75 C ATOM 1322 OE1 GLU B 8 13.729 -12.050 1.589 1.00 2.23 O ATOM 1323 OE2 GLU B 8 13.246 -13.804 2.762 1.00 2.26 O ATOM 0 H GLU B 8 8.760 -11.804 3.699 1.00 0.91 H new ATOM 0 HA GLU B 8 10.763 -9.697 4.065 1.00 0.98 H new ATOM 0 HB2 GLU B 8 10.592 -11.910 1.986 1.00 1.20 H new ATOM 0 HB3 GLU B 8 11.588 -10.483 1.781 1.00 1.20 H new ATOM 0 HG2 GLU B 8 12.810 -11.005 3.889 1.00 1.29 H new ATOM 0 HG3 GLU B 8 11.785 -12.402 4.154 1.00 1.29 H new ATOM 1330 N PHE B 9 9.330 -8.227 2.603 1.00 0.75 N ATOM 1331 CA PHE B 9 8.514 -7.464 1.745 1.00 0.68 C ATOM 1332 C PHE B 9 8.763 -7.832 0.352 1.00 0.81 C ATOM 1333 O PHE B 9 9.916 -7.788 -0.130 1.00 0.93 O ATOM 1334 CB PHE B 9 8.812 -5.981 1.990 1.00 0.55 C ATOM 1335 CG PHE B 9 10.249 -5.725 1.925 1.00 0.57 C ATOM 1336 CD1 PHE B 9 11.141 -6.746 1.617 1.00 0.82 C ATOM 1337 CD2 PHE B 9 10.730 -4.451 2.200 1.00 0.87 C ATOM 1338 CE1 PHE B 9 12.509 -6.498 1.594 1.00 0.89 C ATOM 1339 CE2 PHE B 9 12.098 -4.203 2.180 1.00 0.92 C ATOM 1340 CZ PHE B 9 12.988 -5.225 1.878 1.00 0.72 C ATOM 0 H PHE B 9 9.916 -7.687 3.240 1.00 0.75 H new ATOM 0 HA PHE B 9 7.461 -7.659 1.950 1.00 0.68 H new ATOM 0 HB2 PHE B 9 8.295 -5.374 1.247 1.00 0.55 H new ATOM 0 HB3 PHE B 9 8.429 -5.684 2.966 1.00 0.55 H new ATOM 0 HD1 PHE B 9 10.770 -7.736 1.395 1.00 0.82 H new ATOM 0 HD2 PHE B 9 10.040 -3.652 2.430 1.00 0.87 H new ATOM 0 HE1 PHE B 9 13.199 -7.294 1.356 1.00 0.89 H new ATOM 0 HE2 PHE B 9 12.469 -3.213 2.400 1.00 0.92 H new ATOM 0 HZ PHE B 9 14.050 -5.031 1.864 1.00 0.72 H new ATOM 1350 N SER B 10 7.720 -8.188 -0.410 1.00 0.92 N ATOM 1351 CA SER B 10 7.876 -8.567 -1.759 1.00 1.07 C ATOM 1352 C SER B 10 6.997 -7.715 -2.552 1.00 0.95 C ATOM 1353 O SER B 10 6.335 -6.853 -1.942 1.00 0.79 O ATOM 1354 CB SER B 10 7.481 -10.037 -1.909 1.00 1.27 C ATOM 1355 OG SER B 10 8.348 -10.832 -1.113 1.00 1.65 O ATOM 0 H SER B 10 6.756 -8.211 -0.077 1.00 0.92 H new ATOM 0 HA SER B 10 8.907 -8.452 -2.093 1.00 1.07 H new ATOM 0 HB2 SER B 10 6.446 -10.182 -1.599 1.00 1.27 H new ATOM 0 HB3 SER B 10 7.546 -10.340 -2.954 1.00 1.27 H new ATOM 0 HG SER B 10 8.219 -10.610 -0.167 1.00 1.65 H new ATOM 1361 N GLU B 11 6.894 -7.851 -3.884 1.00 1.08 N ATOM 1362 CA GLU B 11 6.108 -6.986 -4.693 1.00 1.08 C ATOM 1363 C GLU B 11 4.864 -6.546 -4.060 1.00 0.97 C ATOM 1364 O GLU B 11 4.543 -5.338 -4.110 1.00 0.94 O ATOM 1365 CB GLU B 11 5.710 -7.757 -5.954 1.00 1.26 C ATOM 1366 CG GLU B 11 6.954 -8.115 -6.771 1.00 1.21 C ATOM 1367 CD GLU B 11 7.777 -9.048 -6.011 1.00 1.81 C ATOM 1368 OE1 GLU B 11 7.267 -10.096 -5.560 1.00 2.60 O ATOM 1369 OE2 GLU B 11 8.985 -8.800 -5.811 1.00 2.29 O ATOM 0 H GLU B 11 7.371 -8.583 -4.409 1.00 1.08 H new ATOM 0 HA GLU B 11 6.715 -6.102 -4.887 1.00 1.08 H new ATOM 0 HB2 GLU B 11 5.173 -8.665 -5.679 1.00 1.26 H new ATOM 0 HB3 GLU B 11 5.031 -7.155 -6.558 1.00 1.26 H new ATOM 0 HG2 GLU B 11 6.663 -8.561 -7.722 1.00 1.21 H new ATOM 0 HG3 GLU B 11 7.523 -7.215 -7.002 1.00 1.21 H new ATOM 1376 N GLU B 12 4.078 -7.434 -3.435 1.00 0.93 N ATOM 1377 CA GLU B 12 2.879 -7.054 -2.794 1.00 0.82 C ATOM 1378 C GLU B 12 3.109 -6.088 -1.718 1.00 0.71 C ATOM 1379 O GLU B 12 2.381 -5.075 -1.623 1.00 0.70 O ATOM 1380 CB GLU B 12 2.268 -8.323 -2.198 1.00 0.86 C ATOM 1381 CG GLU B 12 1.031 -7.950 -1.383 1.00 1.17 C ATOM 1382 CD GLU B 12 -0.028 -7.419 -2.235 1.00 2.12 C ATOM 1383 OE1 GLU B 12 -0.595 -8.153 -3.074 1.00 2.73 O ATOM 1384 OE2 GLU B 12 -0.428 -6.248 -2.062 1.00 2.45 O ATOM 0 H GLU B 12 4.285 -8.431 -3.378 1.00 0.93 H new ATOM 0 HA GLU B 12 2.221 -6.578 -3.521 1.00 0.82 H new ATOM 0 HB2 GLU B 12 1.999 -9.019 -2.992 1.00 0.86 H new ATOM 0 HB3 GLU B 12 2.997 -8.829 -1.565 1.00 0.86 H new ATOM 0 HG2 GLU B 12 0.666 -8.828 -0.851 1.00 1.17 H new ATOM 0 HG3 GLU B 12 1.300 -7.209 -0.630 1.00 1.17 H new ATOM 1391 N GLN B 13 4.090 -6.291 -0.827 1.00 0.67 N ATOM 1392 CA GLN B 13 4.316 -5.382 0.231 1.00 0.57 C ATOM 1393 C GLN B 13 5.015 -4.184 -0.242 1.00 0.52 C ATOM 1394 O GLN B 13 4.883 -3.111 0.385 1.00 0.47 O ATOM 1395 CB GLN B 13 5.193 -6.055 1.290 1.00 0.62 C ATOM 1396 CG GLN B 13 4.446 -7.163 2.042 1.00 0.82 C ATOM 1397 CD GLN B 13 4.171 -8.312 1.185 1.00 1.47 C ATOM 1398 OE1 GLN B 13 5.044 -8.734 0.397 1.00 2.34 O ATOM 1399 NE2 GLN B 13 2.984 -8.930 1.265 1.00 2.04 N ATOM 0 H GLN B 13 4.725 -7.089 -0.845 1.00 0.67 H new ATOM 0 HA GLN B 13 3.349 -5.094 0.644 1.00 0.57 H new ATOM 0 HB2 GLN B 13 6.078 -6.475 0.813 1.00 0.62 H new ATOM 0 HB3 GLN B 13 5.540 -5.306 2.001 1.00 0.62 H new ATOM 0 HG2 GLN B 13 5.038 -7.483 2.899 1.00 0.82 H new ATOM 0 HG3 GLN B 13 3.508 -6.768 2.432 1.00 0.82 H new ATOM 0 HE21 GLN B 13 2.272 -8.585 1.909 1.00 2.04 H new ATOM 0 HE22 GLN B 13 2.793 -9.745 0.682 1.00 2.04 H new ATOM 1408 N LYS B 14 5.814 -4.244 -1.319 1.00 0.57 N ATOM 1409 CA LYS B 14 6.534 -3.123 -1.793 1.00 0.57 C ATOM 1410 C LYS B 14 5.633 -2.046 -2.192 1.00 0.60 C ATOM 1411 O LYS B 14 5.883 -0.873 -1.837 1.00 0.60 O ATOM 1412 CB LYS B 14 7.321 -3.549 -3.036 1.00 0.65 C ATOM 1413 CG LYS B 14 8.432 -4.535 -2.669 1.00 0.67 C ATOM 1414 CD LYS B 14 9.577 -3.803 -1.971 1.00 1.04 C ATOM 1415 CE LYS B 14 10.713 -4.789 -1.694 1.00 1.36 C ATOM 1416 NZ LYS B 14 11.167 -5.376 -2.955 1.00 1.71 N ATOM 0 H LYS B 14 5.958 -5.092 -1.867 1.00 0.57 H new ATOM 0 HA LYS B 14 7.186 -2.768 -0.995 1.00 0.57 H new ATOM 0 HB2 LYS B 14 6.646 -4.008 -3.759 1.00 0.65 H new ATOM 0 HB3 LYS B 14 7.753 -2.671 -3.516 1.00 0.65 H new ATOM 0 HG2 LYS B 14 8.037 -5.313 -2.016 1.00 0.67 H new ATOM 0 HG3 LYS B 14 8.801 -5.030 -3.568 1.00 0.67 H new ATOM 0 HD2 LYS B 14 9.935 -2.984 -2.595 1.00 1.04 H new ATOM 0 HD3 LYS B 14 9.227 -3.362 -1.038 1.00 1.04 H new ATOM 0 HE2 LYS B 14 11.540 -4.279 -1.200 1.00 1.36 H new ATOM 0 HE3 LYS B 14 10.372 -5.573 -1.018 1.00 1.36 H new ATOM 0 HZ1 LYS B 14 12.129 -5.752 -2.836 1.00 1.71 H new ATOM 0 HZ2 LYS B 14 10.526 -6.147 -3.230 1.00 1.71 H new ATOM 0 HZ3 LYS B 14 11.169 -4.647 -3.696 1.00 1.71 H new ATOM 1430 N LYS B 15 4.549 -2.324 -2.935 1.00 0.68 N ATOM 1431 CA LYS B 15 3.662 -1.308 -3.359 1.00 0.73 C ATOM 1432 C LYS B 15 3.230 -0.469 -2.247 1.00 0.66 C ATOM 1433 O LYS B 15 3.247 0.772 -2.381 1.00 0.70 O ATOM 1434 CB LYS B 15 2.406 -1.948 -3.946 1.00 0.82 C ATOM 1435 CG LYS B 15 2.728 -2.640 -5.270 1.00 0.97 C ATOM 1436 CD LYS B 15 1.431 -3.208 -5.844 1.00 1.51 C ATOM 1437 CE LYS B 15 1.045 -4.469 -5.068 1.00 1.07 C ATOM 1438 NZ LYS B 15 0.795 -4.131 -3.668 1.00 1.94 N ATOM 0 H LYS B 15 4.292 -3.263 -3.240 1.00 0.68 H new ATOM 0 HA LYS B 15 4.193 -0.700 -4.092 1.00 0.73 H new ATOM 0 HB2 LYS B 15 1.996 -2.671 -3.241 1.00 0.82 H new ATOM 0 HB3 LYS B 15 1.642 -1.187 -4.103 1.00 0.82 H new ATOM 0 HG2 LYS B 15 3.175 -1.933 -5.969 1.00 0.97 H new ATOM 0 HG3 LYS B 15 3.455 -3.437 -5.115 1.00 0.97 H new ATOM 0 HD2 LYS B 15 0.634 -2.467 -5.776 1.00 1.51 H new ATOM 0 HD3 LYS B 15 1.559 -3.442 -6.901 1.00 1.51 H new ATOM 0 HE2 LYS B 15 0.155 -4.920 -5.507 1.00 1.07 H new ATOM 0 HE3 LYS B 15 1.843 -5.208 -5.136 1.00 1.07 H new ATOM 0 HZ1 LYS B 15 0.153 -4.835 -3.250 1.00 1.94 H new ATOM 0 HZ2 LYS B 15 1.694 -4.129 -3.145 1.00 1.94 H new ATOM 0 HZ3 LYS B 15 0.360 -3.188 -3.611 1.00 1.94 H new ATOM 1452 N ALA B 16 2.824 -1.026 -1.098 1.00 0.58 N ATOM 1453 CA ALA B 16 2.363 -0.235 -0.024 1.00 0.53 C ATOM 1454 C ALA B 16 3.350 0.768 0.374 1.00 0.50 C ATOM 1455 O ALA B 16 2.972 1.914 0.699 1.00 0.60 O ATOM 1456 CB ALA B 16 2.094 -1.162 1.163 1.00 0.46 C ATOM 0 H ALA B 16 2.818 -2.030 -0.919 1.00 0.58 H new ATOM 0 HA ALA B 16 1.461 0.290 -0.338 1.00 0.53 H new ATOM 0 HB1 ALA B 16 1.736 -0.575 2.009 1.00 0.46 H new ATOM 0 HB2 ALA B 16 1.339 -1.898 0.886 1.00 0.46 H new ATOM 0 HB3 ALA B 16 3.015 -1.674 1.441 1.00 0.46 H new ATOM 1462 N LEU B 17 4.662 0.496 0.394 1.00 0.44 N ATOM 1463 CA LEU B 17 5.559 1.495 0.827 1.00 0.46 C ATOM 1464 C LEU B 17 5.737 2.507 -0.214 1.00 0.57 C ATOM 1465 O LEU B 17 6.170 3.636 0.103 1.00 0.71 O ATOM 1466 CB LEU B 17 6.902 0.844 1.159 1.00 0.42 C ATOM 1467 CG LEU B 17 6.847 0.229 2.560 1.00 0.36 C ATOM 1468 CD1 LEU B 17 5.589 -0.626 2.716 1.00 0.38 C ATOM 1469 CD2 LEU B 17 8.075 -0.658 2.766 1.00 0.38 C ATOM 0 H LEU B 17 5.086 -0.390 0.118 1.00 0.44 H new ATOM 0 HA LEU B 17 5.156 1.984 1.714 1.00 0.46 H new ATOM 0 HB2 LEU B 17 7.136 0.075 0.423 1.00 0.42 H new ATOM 0 HB3 LEU B 17 7.699 1.586 1.108 1.00 0.42 H new ATOM 0 HG LEU B 17 6.829 1.031 3.298 1.00 0.36 H new ATOM 0 HD11 LEU B 17 5.564 -1.057 3.717 1.00 0.38 H new ATOM 0 HD12 LEU B 17 4.706 -0.005 2.566 1.00 0.38 H new ATOM 0 HD13 LEU B 17 5.599 -1.427 1.977 1.00 0.38 H new ATOM 0 HD21 LEU B 17 8.042 -1.099 3.762 1.00 0.38 H new ATOM 0 HD22 LEU B 17 8.081 -1.451 2.018 1.00 0.38 H new ATOM 0 HD23 LEU B 17 8.979 -0.057 2.665 1.00 0.38 H new ATOM 1481 N ASP B 18 5.436 2.243 -1.494 1.00 0.59 N ATOM 1482 CA ASP B 18 5.525 3.253 -2.479 1.00 0.70 C ATOM 1483 C ASP B 18 4.411 4.177 -2.284 1.00 0.73 C ATOM 1484 O ASP B 18 4.579 5.413 -2.371 1.00 0.82 O ATOM 1485 CB ASP B 18 5.403 2.623 -3.871 1.00 0.76 C ATOM 1486 CG ASP B 18 5.630 3.632 -4.904 1.00 0.97 C ATOM 1487 OD1 ASP B 18 6.746 4.187 -5.000 1.00 1.74 O ATOM 1488 OD2 ASP B 18 4.719 3.935 -5.705 1.00 1.25 O ATOM 0 H ASP B 18 5.133 1.332 -1.839 1.00 0.59 H new ATOM 0 HA ASP B 18 6.480 3.773 -2.397 1.00 0.70 H new ATOM 0 HB2 ASP B 18 6.127 1.815 -3.977 1.00 0.76 H new ATOM 0 HB3 ASP B 18 4.413 2.183 -3.993 1.00 0.76 H new ATOM 1493 N LEU B 19 3.203 3.662 -2.012 1.00 0.67 N ATOM 1494 CA LEU B 19 2.059 4.469 -1.840 1.00 0.70 C ATOM 1495 C LEU B 19 2.160 5.270 -0.623 1.00 0.70 C ATOM 1496 O LEU B 19 1.698 6.432 -0.617 1.00 0.84 O ATOM 1497 CB LEU B 19 0.874 3.514 -1.682 1.00 0.60 C ATOM 1498 CG LEU B 19 0.305 3.156 -3.056 1.00 0.68 C ATOM 1499 CD1 LEU B 19 1.438 2.905 -4.047 1.00 1.16 C ATOM 1500 CD2 LEU B 19 -0.529 1.882 -2.939 1.00 0.69 C ATOM 0 H LEU B 19 3.026 2.663 -1.911 1.00 0.67 H new ATOM 0 HA LEU B 19 1.949 5.144 -2.689 1.00 0.70 H new ATOM 0 HB2 LEU B 19 1.192 2.609 -1.164 1.00 0.60 H new ATOM 0 HB3 LEU B 19 0.101 3.978 -1.069 1.00 0.60 H new ATOM 0 HG LEU B 19 -0.310 3.984 -3.408 1.00 0.68 H new ATOM 0 HD11 LEU B 19 1.020 2.651 -5.021 1.00 1.16 H new ATOM 0 HD12 LEU B 19 2.048 3.804 -4.137 1.00 1.16 H new ATOM 0 HD13 LEU B 19 2.056 2.081 -3.692 1.00 1.16 H new ATOM 0 HD21 LEU B 19 -0.937 1.623 -3.916 1.00 0.69 H new ATOM 0 HD22 LEU B 19 0.100 1.067 -2.581 1.00 0.69 H new ATOM 0 HD23 LEU B 19 -1.346 2.045 -2.237 1.00 0.69 H new ATOM 1512 N ALA B 20 2.734 4.766 0.479 1.00 0.62 N ATOM 1513 CA ALA B 20 2.838 5.539 1.655 1.00 0.69 C ATOM 1514 C ALA B 20 3.901 6.533 1.536 1.00 0.83 C ATOM 1515 O ALA B 20 3.623 7.739 1.717 1.00 1.20 O ATOM 1516 CB ALA B 20 3.179 4.617 2.828 1.00 0.72 C ATOM 0 H ALA B 20 3.123 3.825 0.548 1.00 0.62 H new ATOM 0 HA ALA B 20 1.888 6.048 1.816 1.00 0.69 H new ATOM 0 HB1 ALA B 20 3.261 5.206 3.742 1.00 0.72 H new ATOM 0 HB2 ALA B 20 2.392 3.872 2.946 1.00 0.72 H new ATOM 0 HB3 ALA B 20 4.127 4.115 2.633 1.00 0.72 H new ATOM 1522 N PHE B 21 5.139 6.111 1.224 1.00 0.88 N ATOM 1523 CA PHE B 21 6.276 6.951 1.139 1.00 1.17 C ATOM 1524 C PHE B 21 6.098 8.170 1.934 1.00 1.60 C ATOM 1525 O PHE B 21 5.998 8.079 3.177 1.00 2.21 O ATOM 1526 CB PHE B 21 6.545 7.227 -0.348 1.00 1.29 C ATOM 1527 CG PHE B 21 7.833 7.886 -0.558 1.00 1.15 C ATOM 1528 CD1 PHE B 21 9.009 7.226 -0.221 1.00 1.40 C ATOM 1529 CD2 PHE B 21 7.892 9.152 -1.133 1.00 1.63 C ATOM 1530 CE1 PHE B 21 10.237 7.848 -0.414 1.00 1.60 C ATOM 1531 CE2 PHE B 21 9.118 9.777 -1.322 1.00 1.73 C ATOM 1532 CZ PHE B 21 10.289 9.128 -0.954 1.00 1.50 C ATOM 0 H PHE B 21 5.349 5.134 1.022 1.00 0.88 H new ATOM 0 HA PHE B 21 7.152 6.462 1.567 1.00 1.17 H new ATOM 0 HB2 PHE B 21 6.524 6.288 -0.901 1.00 1.29 H new ATOM 0 HB3 PHE B 21 5.748 7.852 -0.751 1.00 1.29 H new ATOM 0 HD1 PHE B 21 8.969 6.229 0.191 1.00 1.40 H new ATOM 0 HD2 PHE B 21 6.982 9.650 -1.433 1.00 1.63 H new ATOM 0 HE1 PHE B 21 11.150 7.337 -0.145 1.00 1.60 H new ATOM 0 HE2 PHE B 21 9.160 10.766 -1.754 1.00 1.73 H new ATOM 0 HZ PHE B 21 11.242 9.618 -1.087 1.00 1.50 H new ATOM 1542 N TYR B 22 6.087 9.382 1.363 1.00 1.98 N ATOM 1543 CA TYR B 22 5.879 10.549 2.125 1.00 2.49 C ATOM 1544 C TYR B 22 4.574 11.097 1.772 1.00 2.37 C ATOM 1545 O TYR B 22 4.254 12.248 2.141 1.00 2.86 O ATOM 1546 CB TYR B 22 6.977 11.571 1.831 1.00 3.05 C ATOM 1547 CG TYR B 22 6.879 12.650 2.810 1.00 4.38 C ATOM 1548 CD1 TYR B 22 7.064 12.373 4.159 1.00 4.57 C ATOM 1549 CD2 TYR B 22 6.603 13.948 2.398 1.00 4.86 C ATOM 1550 CE1 TYR B 22 6.975 13.395 5.098 1.00 5.05 C ATOM 1551 CE2 TYR B 22 6.509 14.969 3.336 1.00 5.32 C ATOM 1552 CZ TYR B 22 6.697 14.693 4.686 1.00 5.69 C ATOM 1553 OH TYR B 22 6.611 15.686 5.596 1.00 5.95 O ATOM 0 H TYR B 22 6.224 9.546 0.366 1.00 1.98 H new ATOM 0 HA TYR B 22 5.910 10.313 3.189 1.00 2.49 H new ATOM 0 HB2 TYR B 22 7.958 11.099 1.884 1.00 3.05 H new ATOM 0 HB3 TYR B 22 6.867 11.965 0.821 1.00 3.05 H new ATOM 0 HD1 TYR B 22 7.277 11.364 4.478 1.00 4.57 H new ATOM 0 HD2 TYR B 22 6.462 14.163 1.349 1.00 4.86 H new ATOM 0 HE1 TYR B 22 7.122 13.180 6.146 1.00 5.05 H new ATOM 0 HE2 TYR B 22 6.290 15.977 3.016 1.00 5.32 H new ATOM 0 HH TYR B 22 6.412 16.531 5.141 1.00 5.95 H new ATOM 1563 N PHE B 23 3.729 10.358 1.041 1.00 2.53 N ATOM 1564 CA PHE B 23 2.497 10.884 0.607 1.00 3.15 C ATOM 1565 C PHE B 23 1.555 10.882 1.720 1.00 3.06 C ATOM 1566 O PHE B 23 0.790 11.856 1.891 1.00 3.59 O ATOM 1567 CB PHE B 23 1.984 9.979 -0.513 1.00 3.86 C ATOM 1568 CG PHE B 23 2.950 10.026 -1.606 1.00 4.36 C ATOM 1569 CD1 PHE B 23 3.211 11.226 -2.256 1.00 5.13 C ATOM 1570 CD2 PHE B 23 3.616 8.868 -1.991 1.00 4.54 C ATOM 1571 CE1 PHE B 23 4.153 11.271 -3.278 1.00 5.84 C ATOM 1572 CE2 PHE B 23 4.553 8.912 -3.016 1.00 5.32 C ATOM 1573 CZ PHE B 23 4.825 10.115 -3.657 1.00 6.77 C ATOM 0 H PHE B 23 3.907 9.395 0.754 1.00 2.53 H new ATOM 0 HA PHE B 23 2.610 11.907 0.248 1.00 3.15 H new ATOM 0 HB2 PHE B 23 1.865 8.957 -0.153 1.00 3.86 H new ATOM 0 HB3 PHE B 23 1.004 10.313 -0.855 1.00 3.86 H new ATOM 0 HD1 PHE B 23 2.683 12.123 -1.968 1.00 5.13 H new ATOM 0 HD2 PHE B 23 3.405 7.933 -1.493 1.00 4.54 H new ATOM 0 HE1 PHE B 23 4.363 12.205 -3.778 1.00 5.84 H new ATOM 0 HE2 PHE B 23 5.070 8.012 -3.315 1.00 5.32 H new ATOM 0 HZ PHE B 23 5.558 10.151 -4.449 1.00 6.77 H new ATOM 1583 N ASP B 24 1.548 9.861 2.587 1.00 2.69 N ATOM 1584 CA ASP B 24 0.698 9.908 3.709 1.00 2.83 C ATOM 1585 C ASP B 24 1.507 10.177 4.891 1.00 2.45 C ATOM 1586 O ASP B 24 0.946 10.260 6.005 1.00 2.75 O ATOM 1587 CB ASP B 24 -0.056 8.588 3.886 1.00 3.32 C ATOM 1588 CG ASP B 24 -1.031 8.743 4.963 1.00 3.96 C ATOM 1589 OD1 ASP B 24 -1.861 9.676 4.926 1.00 4.25 O ATOM 1590 OD2 ASP B 24 -1.031 7.957 5.935 1.00 4.51 O ATOM 0 H ASP B 24 2.122 9.022 2.508 1.00 2.69 H new ATOM 0 HA ASP B 24 -0.040 10.697 3.565 1.00 2.83 H new ATOM 0 HB2 ASP B 24 -0.559 8.313 2.959 1.00 3.32 H new ATOM 0 HB3 ASP B 24 0.641 7.784 4.121 1.00 3.32 H new ATOM 1595 N ARG B 25 2.841 10.306 4.770 1.00 2.47 N ATOM 1596 CA ARG B 25 3.684 10.572 5.876 1.00 2.98 C ATOM 1597 C ARG B 25 3.703 9.432 6.792 1.00 2.30 C ATOM 1598 O ARG B 25 4.240 9.552 7.914 1.00 2.72 O ATOM 1599 CB ARG B 25 3.225 11.829 6.622 1.00 4.08 C ATOM 1600 CG ARG B 25 3.214 13.029 5.672 1.00 4.68 C ATOM 1601 CD ARG B 25 2.863 14.287 6.469 1.00 5.32 C ATOM 1602 NE ARG B 25 1.574 14.139 7.023 1.00 5.75 N ATOM 1603 CZ ARG B 25 1.074 15.084 7.830 1.00 6.57 C ATOM 1604 NH1 ARG B 25 1.800 16.172 8.121 1.00 7.03 N ATOM 1605 NH2 ARG B 25 -0.153 14.940 8.349 1.00 7.21 N ATOM 0 H ARG B 25 3.336 10.222 3.882 1.00 2.47 H new ATOM 0 HA ARG B 25 4.692 10.740 5.497 1.00 2.98 H new ATOM 0 HB2 ARG B 25 2.228 11.673 7.035 1.00 4.08 H new ATOM 0 HB3 ARG B 25 3.891 12.026 7.462 1.00 4.08 H new ATOM 0 HG2 ARG B 25 4.188 13.143 5.197 1.00 4.68 H new ATOM 0 HG3 ARG B 25 2.487 12.872 4.875 1.00 4.68 H new ATOM 0 HD2 ARG B 25 3.596 14.448 7.260 1.00 5.32 H new ATOM 0 HD3 ARG B 25 2.896 15.163 5.822 1.00 5.32 H new ATOM 0 HE ARG B 25 1.021 13.309 6.808 1.00 5.75 H new ATOM 0 HH11 ARG B 25 2.735 16.281 7.728 1.00 7.03 H new ATOM 0 HH12 ARG B 25 1.418 16.891 8.736 1.00 7.03 H new ATOM 0 HH21 ARG B 25 -0.706 14.111 8.129 1.00 7.21 H new ATOM 0 HH22 ARG B 25 -0.534 15.659 8.964 1.00 7.21 H new ATOM 1619 N ARG B 26 3.136 8.267 6.442 1.00 1.75 N ATOM 1620 CA ARG B 26 3.069 7.174 7.330 1.00 1.34 C ATOM 1621 C ARG B 26 4.353 6.482 7.443 1.00 1.19 C ATOM 1622 O ARG B 26 4.441 5.281 7.107 1.00 2.05 O ATOM 1623 CB ARG B 26 2.001 6.237 6.761 1.00 2.02 C ATOM 1624 CG ARG B 26 1.577 5.216 7.813 1.00 2.50 C ATOM 1625 CD ARG B 26 0.350 4.447 7.322 1.00 2.91 C ATOM 1626 NE ARG B 26 -0.656 5.368 6.961 1.00 3.64 N ATOM 1627 CZ ARG B 26 -1.911 4.954 6.744 1.00 4.57 C ATOM 1628 NH1 ARG B 26 -2.261 3.679 6.957 1.00 5.01 N ATOM 1629 NH2 ARG B 26 -2.827 5.822 6.297 1.00 5.37 N ATOM 0 H ARG B 26 2.721 8.090 5.527 1.00 1.75 H new ATOM 0 HA ARG B 26 2.821 7.511 8.336 1.00 1.34 H new ATOM 0 HB2 ARG B 26 1.136 6.815 6.436 1.00 2.02 H new ATOM 0 HB3 ARG B 26 2.389 5.723 5.882 1.00 2.02 H new ATOM 0 HG2 ARG B 26 2.395 4.524 8.013 1.00 2.50 H new ATOM 0 HG3 ARG B 26 1.350 5.720 8.752 1.00 2.50 H new ATOM 0 HD2 ARG B 26 0.614 3.824 6.468 1.00 2.91 H new ATOM 0 HD3 ARG B 26 -0.014 3.780 8.103 1.00 2.91 H new ATOM 0 HE ARG B 26 -0.426 6.357 6.865 1.00 3.64 H new ATOM 0 HH11 ARG B 26 -1.568 3.008 7.289 1.00 5.01 H new ATOM 0 HH12 ARG B 26 -3.221 3.378 6.787 1.00 5.01 H new ATOM 0 HH21 ARG B 26 -2.568 6.793 6.123 1.00 5.37 H new ATOM 0 HH22 ARG B 26 -3.784 5.512 6.130 1.00 5.37 H new ATOM 1643 N LEU B 27 5.433 7.127 7.910 1.00 0.90 N ATOM 1644 CA LEU B 27 6.673 6.469 8.029 1.00 0.73 C ATOM 1645 C LEU B 27 7.263 6.812 9.323 1.00 0.77 C ATOM 1646 O LEU B 27 8.439 7.234 9.383 1.00 1.03 O ATOM 1647 CB LEU B 27 7.575 6.915 6.875 1.00 0.72 C ATOM 1648 CG LEU B 27 8.815 6.023 6.763 1.00 0.80 C ATOM 1649 CD1 LEU B 27 9.822 6.348 7.865 1.00 1.23 C ATOM 1650 CD2 LEU B 27 8.407 4.553 6.863 1.00 0.87 C ATOM 0 H LEU B 27 5.438 8.104 8.203 1.00 0.90 H new ATOM 0 HA LEU B 27 6.551 5.387 7.978 1.00 0.73 H new ATOM 0 HB2 LEU B 27 7.016 6.883 5.940 1.00 0.72 H new ATOM 0 HB3 LEU B 27 7.881 7.950 7.029 1.00 0.72 H new ATOM 0 HG LEU B 27 9.284 6.210 5.797 1.00 0.80 H new ATOM 0 HD11 LEU B 27 10.694 5.701 7.764 1.00 1.23 H new ATOM 0 HD12 LEU B 27 10.131 7.390 7.780 1.00 1.23 H new ATOM 0 HD13 LEU B 27 9.361 6.185 8.839 1.00 1.23 H new ATOM 0 HD21 LEU B 27 9.293 3.923 6.783 1.00 0.87 H new ATOM 0 HD22 LEU B 27 7.921 4.375 7.822 1.00 0.87 H new ATOM 0 HD23 LEU B 27 7.716 4.312 6.056 1.00 0.87 H new ATOM 1662 N THR B 28 6.531 6.727 10.443 1.00 0.82 N ATOM 1663 CA THR B 28 7.099 7.068 11.689 1.00 0.93 C ATOM 1664 C THR B 28 7.010 5.893 12.556 1.00 0.87 C ATOM 1665 O THR B 28 6.290 4.944 12.187 1.00 0.80 O ATOM 1666 CB THR B 28 6.339 8.260 12.277 1.00 1.12 C ATOM 1667 OG1 THR B 28 4.988 7.893 12.499 1.00 1.30 O ATOM 1668 CG2 THR B 28 6.388 9.432 11.294 1.00 1.25 C ATOM 0 H THR B 28 5.557 6.425 10.479 1.00 0.82 H new ATOM 0 HA THR B 28 8.145 7.358 11.587 1.00 0.93 H new ATOM 0 HB THR B 28 6.800 8.555 13.220 1.00 1.12 H new ATOM 0 HG1 THR B 28 4.500 8.654 12.877 1.00 1.30 H new ATOM 0 HG21 THR B 28 5.847 10.281 11.712 1.00 1.25 H new ATOM 0 HG22 THR B 28 7.426 9.715 11.117 1.00 1.25 H new ATOM 0 HG23 THR B 28 5.926 9.136 10.352 1.00 1.25 H new ATOM 1676 N PRO B 29 7.720 5.790 13.691 1.00 0.93 N ATOM 1677 CA PRO B 29 7.718 4.629 14.508 1.00 0.90 C ATOM 1678 C PRO B 29 6.434 4.074 14.820 1.00 0.82 C ATOM 1679 O PRO B 29 6.257 2.871 14.692 1.00 0.81 O ATOM 1680 CB PRO B 29 8.409 5.112 15.784 1.00 1.01 C ATOM 1681 CG PRO B 29 9.387 6.157 15.255 1.00 1.10 C ATOM 1682 CD PRO B 29 8.601 6.825 14.126 1.00 1.06 C ATOM 0 HA PRO B 29 8.205 3.807 13.983 1.00 0.90 H new ATOM 0 HB2 PRO B 29 7.700 5.541 16.492 1.00 1.01 H new ATOM 0 HB3 PRO B 29 8.922 4.300 16.300 1.00 1.01 H new ATOM 0 HG2 PRO B 29 9.670 6.872 16.027 1.00 1.10 H new ATOM 0 HG3 PRO B 29 10.307 5.700 14.891 1.00 1.10 H new ATOM 0 HD2 PRO B 29 8.054 7.699 14.478 1.00 1.06 H new ATOM 0 HD3 PRO B 29 9.256 7.161 13.322 1.00 1.06 H new ATOM 1690 N GLU B 30 5.432 4.821 15.214 1.00 0.82 N ATOM 1691 CA GLU B 30 4.210 4.202 15.551 1.00 0.81 C ATOM 1692 C GLU B 30 3.447 3.853 14.355 1.00 0.79 C ATOM 1693 O GLU B 30 2.416 3.154 14.464 1.00 0.84 O ATOM 1694 CB GLU B 30 3.387 5.138 16.436 1.00 0.88 C ATOM 1695 CG GLU B 30 4.109 5.345 17.769 1.00 1.45 C ATOM 1696 CD GLU B 30 3.351 6.285 18.589 1.00 2.08 C ATOM 1697 OE1 GLU B 30 2.168 6.027 18.901 1.00 2.61 O ATOM 1698 OE2 GLU B 30 3.882 7.348 18.976 1.00 2.70 O ATOM 0 H GLU B 30 5.452 5.837 15.303 1.00 0.82 H new ATOM 0 HA GLU B 30 4.430 3.282 16.093 1.00 0.81 H new ATOM 0 HB2 GLU B 30 3.243 6.096 15.936 1.00 0.88 H new ATOM 0 HB3 GLU B 30 2.397 4.716 16.608 1.00 0.88 H new ATOM 0 HG2 GLU B 30 4.214 4.393 18.290 1.00 1.45 H new ATOM 0 HG3 GLU B 30 5.115 5.726 17.595 1.00 1.45 H new ATOM 1705 N TRP B 31 3.840 4.264 13.141 1.00 0.77 N ATOM 1706 CA TRP B 31 3.127 3.847 12.003 1.00 0.78 C ATOM 1707 C TRP B 31 3.922 2.873 11.260 1.00 0.69 C ATOM 1708 O TRP B 31 3.429 2.285 10.273 1.00 0.70 O ATOM 1709 CB TRP B 31 2.726 5.034 11.132 1.00 0.92 C ATOM 1710 CG TRP B 31 1.474 5.596 11.637 1.00 1.37 C ATOM 1711 CD1 TRP B 31 0.199 5.323 11.151 1.00 2.28 C ATOM 1712 CD2 TRP B 31 1.296 6.465 12.703 1.00 1.67 C ATOM 1713 NE1 TRP B 31 -0.705 6.004 11.877 1.00 2.57 N ATOM 1714 CE2 TRP B 31 -0.057 6.702 12.820 1.00 2.12 C ATOM 1715 CE3 TRP B 31 2.213 7.050 13.560 1.00 2.37 C ATOM 1716 CZ2 TRP B 31 -0.560 7.546 13.798 1.00 2.59 C ATOM 1717 CZ3 TRP B 31 1.721 7.903 14.546 1.00 3.12 C ATOM 1718 CH2 TRP B 31 0.351 8.148 14.664 1.00 3.02 C ATOM 0 H TRP B 31 4.637 4.873 12.959 1.00 0.77 H new ATOM 0 HA TRP B 31 2.201 3.368 12.320 1.00 0.78 H new ATOM 0 HB2 TRP B 31 3.510 5.791 11.144 1.00 0.92 H new ATOM 0 HB3 TRP B 31 2.605 4.717 10.096 1.00 0.92 H new ATOM 0 HD1 TRP B 31 -0.028 4.668 10.323 1.00 2.28 H new ATOM 0 HE1 TRP B 31 -1.715 5.991 11.734 1.00 2.57 H new ATOM 0 HE3 TRP B 31 3.271 6.852 13.468 1.00 2.37 H new ATOM 0 HZ2 TRP B 31 -1.620 7.731 13.886 1.00 2.59 H new ATOM 0 HZ3 TRP B 31 2.408 8.381 15.228 1.00 3.12 H new ATOM 0 HH2 TRP B 31 -0.007 8.813 15.436 1.00 3.02 H new ATOM 1729 N ARG B 32 5.162 2.568 11.667 1.00 0.68 N ATOM 1730 CA ARG B 32 5.855 1.499 11.065 1.00 0.61 C ATOM 1731 C ARG B 32 5.252 0.313 11.660 1.00 0.61 C ATOM 1732 O ARG B 32 5.072 -0.720 10.980 1.00 0.60 O ATOM 1733 CB ARG B 32 7.340 1.567 11.421 1.00 0.66 C ATOM 1734 CG ARG B 32 7.990 2.749 10.702 1.00 0.89 C ATOM 1735 CD ARG B 32 9.386 2.984 11.281 1.00 0.80 C ATOM 1736 NE ARG B 32 9.859 4.235 10.839 1.00 0.83 N ATOM 1737 CZ ARG B 32 10.821 4.867 11.525 1.00 0.85 C ATOM 1738 NH1 ARG B 32 11.346 4.300 12.620 1.00 0.82 N ATOM 1739 NH2 ARG B 32 11.252 6.070 11.120 1.00 0.97 N ATOM 0 H ARG B 32 5.672 3.058 12.402 1.00 0.68 H new ATOM 0 HA ARG B 32 5.788 1.510 9.977 1.00 0.61 H new ATOM 0 HB2 ARG B 32 7.461 1.674 12.499 1.00 0.66 H new ATOM 0 HB3 ARG B 32 7.835 0.639 11.135 1.00 0.66 H new ATOM 0 HG2 ARG B 32 8.056 2.548 9.633 1.00 0.89 H new ATOM 0 HG3 ARG B 32 7.379 3.643 10.821 1.00 0.89 H new ATOM 0 HD2 ARG B 32 9.352 2.957 12.370 1.00 0.80 H new ATOM 0 HD3 ARG B 32 10.064 2.191 10.964 1.00 0.80 H new ATOM 0 HE ARG B 32 9.469 4.660 9.997 1.00 0.83 H new ATOM 0 HH11 ARG B 32 11.013 3.387 12.931 1.00 0.82 H new ATOM 0 HH12 ARG B 32 12.078 4.781 13.142 1.00 0.82 H new ATOM 0 HH21 ARG B 32 10.848 6.504 10.290 1.00 0.97 H new ATOM 0 HH22 ARG B 32 11.984 6.552 11.642 1.00 0.97 H new ATOM 1753 N ARG B 33 4.862 0.387 12.942 1.00 0.66 N ATOM 1754 CA ARG B 33 4.177 -0.669 13.579 1.00 0.69 C ATOM 1755 C ARG B 33 2.872 -0.845 12.946 1.00 0.71 C ATOM 1756 O ARG B 33 2.459 -1.994 12.679 1.00 0.73 O ATOM 1757 CB ARG B 33 3.961 -0.268 15.039 1.00 0.79 C ATOM 1758 CG ARG B 33 3.262 -1.403 15.790 1.00 1.15 C ATOM 1759 CD ARG B 33 2.963 -0.947 17.219 1.00 1.14 C ATOM 1760 NE ARG B 33 4.172 -0.641 17.877 1.00 1.66 N ATOM 1761 CZ ARG B 33 4.348 0.565 18.434 1.00 2.23 C ATOM 1762 NH1 ARG B 33 3.381 1.489 18.356 1.00 2.27 N ATOM 1763 NH2 ARG B 33 5.494 0.847 19.070 1.00 3.10 N ATOM 0 H ARG B 33 5.029 1.197 13.539 1.00 0.66 H new ATOM 0 HA ARG B 33 4.748 -1.595 13.506 1.00 0.69 H new ATOM 0 HB2 ARG B 33 4.918 -0.044 15.510 1.00 0.79 H new ATOM 0 HB3 ARG B 33 3.360 0.640 15.091 1.00 0.79 H new ATOM 0 HG2 ARG B 33 2.338 -1.677 15.282 1.00 1.15 H new ATOM 0 HG3 ARG B 33 3.894 -2.291 15.803 1.00 1.15 H new ATOM 0 HD2 ARG B 33 2.313 -0.072 17.205 1.00 1.14 H new ATOM 0 HD3 ARG B 33 2.431 -1.731 17.758 1.00 1.14 H new ATOM 0 HE ARG B 33 4.914 -1.339 17.929 1.00 1.66 H new ATOM 0 HH11 ARG B 33 2.509 1.275 17.872 1.00 2.27 H new ATOM 0 HH12 ARG B 33 3.517 2.406 18.781 1.00 2.27 H new ATOM 0 HH21 ARG B 33 6.231 0.144 19.129 1.00 3.10 H new ATOM 0 HH22 ARG B 33 5.629 1.765 19.494 1.00 3.10 H new ATOM 1777 N TYR B 34 2.146 0.245 12.651 1.00 0.73 N ATOM 1778 CA TYR B 34 0.883 0.181 12.019 1.00 0.76 C ATOM 1779 C TYR B 34 0.959 -0.606 10.790 1.00 0.64 C ATOM 1780 O TYR B 34 0.133 -1.522 10.592 1.00 0.67 O ATOM 1781 CB TYR B 34 0.453 1.604 11.656 1.00 0.83 C ATOM 1782 CG TYR B 34 -0.870 1.619 11.038 1.00 0.86 C ATOM 1783 CD1 TYR B 34 -1.042 1.194 9.725 1.00 1.37 C ATOM 1784 CD2 TYR B 34 -1.952 2.125 11.748 1.00 1.23 C ATOM 1785 CE1 TYR B 34 -2.300 1.244 9.137 1.00 1.64 C ATOM 1786 CE2 TYR B 34 -3.205 2.194 11.153 1.00 1.18 C ATOM 1787 CZ TYR B 34 -3.382 1.746 9.849 1.00 1.18 C ATOM 1788 OH TYR B 34 -4.601 1.800 9.273 1.00 1.42 O ATOM 0 H TYR B 34 2.453 1.195 12.861 1.00 0.73 H new ATOM 0 HA TYR B 34 0.170 -0.288 12.697 1.00 0.76 H new ATOM 0 HB2 TYR B 34 0.444 2.223 12.553 1.00 0.83 H new ATOM 0 HB3 TYR B 34 1.180 2.043 10.973 1.00 0.83 H new ATOM 0 HD1 TYR B 34 -0.197 0.825 9.162 1.00 1.37 H new ATOM 0 HD2 TYR B 34 -1.818 2.465 12.764 1.00 1.23 H new ATOM 0 HE1 TYR B 34 -2.437 0.892 8.125 1.00 1.64 H new ATOM 0 HE2 TYR B 34 -4.042 2.596 11.704 1.00 1.18 H new ATOM 0 HH TYR B 34 -5.274 1.459 9.899 1.00 1.42 H new ATOM 1798 N LEU B 35 1.883 -0.314 9.862 1.00 0.55 N ATOM 1799 CA LEU B 35 1.951 -1.043 8.656 1.00 0.49 C ATOM 1800 C LEU B 35 2.386 -2.418 8.887 1.00 0.45 C ATOM 1801 O LEU B 35 1.736 -3.364 8.391 1.00 0.46 O ATOM 1802 CB LEU B 35 2.957 -0.357 7.731 1.00 0.57 C ATOM 1803 CG LEU B 35 2.389 0.997 7.300 1.00 0.66 C ATOM 1804 CD1 LEU B 35 3.433 1.754 6.476 1.00 1.03 C ATOM 1805 CD2 LEU B 35 1.126 0.770 6.467 1.00 1.32 C ATOM 0 H LEU B 35 2.578 0.427 9.954 1.00 0.55 H new ATOM 0 HA LEU B 35 0.957 -1.069 8.209 1.00 0.49 H new ATOM 0 HB2 LEU B 35 3.909 -0.221 8.244 1.00 0.57 H new ATOM 0 HB3 LEU B 35 3.152 -0.980 6.858 1.00 0.57 H new ATOM 0 HG LEU B 35 2.139 1.589 8.180 1.00 0.66 H new ATOM 0 HD11 LEU B 35 3.026 2.718 6.170 1.00 1.03 H new ATOM 0 HD12 LEU B 35 4.327 1.912 7.079 1.00 1.03 H new ATOM 0 HD13 LEU B 35 3.690 1.172 5.591 1.00 1.03 H new ATOM 0 HD21 LEU B 35 0.717 1.732 6.157 1.00 1.32 H new ATOM 0 HD22 LEU B 35 1.373 0.180 5.585 1.00 1.32 H new ATOM 0 HD23 LEU B 35 0.387 0.237 7.065 1.00 1.32 H new ATOM 1817 N SER B 36 3.456 -2.680 9.653 1.00 0.46 N ATOM 1818 CA SER B 36 3.901 -4.008 9.841 1.00 0.48 C ATOM 1819 C SER B 36 2.927 -4.832 10.556 1.00 0.59 C ATOM 1820 O SER B 36 3.101 -6.069 10.580 1.00 0.66 O ATOM 1821 CB SER B 36 5.225 -4.019 10.607 1.00 0.52 C ATOM 1822 OG SER B 36 5.044 -3.440 11.889 1.00 1.35 O ATOM 0 H SER B 36 4.006 -1.971 10.137 1.00 0.46 H new ATOM 0 HA SER B 36 4.035 -4.436 8.848 1.00 0.48 H new ATOM 0 HB2 SER B 36 5.589 -5.042 10.708 1.00 0.52 H new ATOM 0 HB3 SER B 36 5.982 -3.465 10.051 1.00 0.52 H new ATOM 0 HG SER B 36 5.040 -2.463 11.809 1.00 1.35 H new ATOM 1828 N GLN B 37 1.874 -4.276 11.177 1.00 0.67 N ATOM 1829 CA GLN B 37 0.888 -5.052 11.824 1.00 0.80 C ATOM 1830 C GLN B 37 0.340 -6.040 10.899 1.00 0.75 C ATOM 1831 O GLN B 37 0.192 -7.229 11.260 1.00 0.86 O ATOM 1832 CB GLN B 37 -0.248 -4.116 12.241 1.00 0.91 C ATOM 1833 CG GLN B 37 -1.325 -4.897 12.994 1.00 1.09 C ATOM 1834 CD GLN B 37 -2.448 -4.007 13.275 1.00 1.99 C ATOM 1835 OE1 GLN B 37 -2.416 -2.737 12.847 1.00 2.71 O flip ATOM 1836 NE2 GLN B 37 -3.442 -4.433 13.902 1.00 2.65 N flip ATOM 0 H GLN B 37 1.712 -3.270 11.226 1.00 0.67 H new ATOM 0 HA GLN B 37 1.327 -5.560 12.682 1.00 0.80 H new ATOM 0 HB2 GLN B 37 0.142 -3.318 12.873 1.00 0.91 H new ATOM 0 HB3 GLN B 37 -0.681 -3.642 11.360 1.00 0.91 H new ATOM 0 HG2 GLN B 37 -1.658 -5.748 12.400 1.00 1.09 H new ATOM 0 HG3 GLN B 37 -0.920 -5.297 13.923 1.00 1.09 H new ATOM 0 HE21 GLN B 37 -3.464 -5.400 14.227 1.00 2.65 H new ATOM 0 HE22 GLN B 37 -4.231 -3.814 14.089 1.00 2.65 H new ATOM 1845 N ARG B 38 -0.019 -5.660 9.664 1.00 0.65 N ATOM 1846 CA ARG B 38 -0.552 -6.603 8.764 1.00 0.68 C ATOM 1847 C ARG B 38 0.308 -6.707 7.586 1.00 0.59 C ATOM 1848 O ARG B 38 -0.022 -7.482 6.662 1.00 0.65 O ATOM 1849 CB ARG B 38 -1.946 -6.160 8.314 1.00 0.74 C ATOM 1850 CG ARG B 38 -2.910 -6.133 9.502 1.00 1.20 C ATOM 1851 CD ARG B 38 -4.275 -5.632 9.022 1.00 1.55 C ATOM 1852 NE ARG B 38 -5.198 -5.653 10.088 1.00 1.77 N ATOM 1853 CZ ARG B 38 -5.566 -4.511 10.687 1.00 2.42 C ATOM 1854 NH1 ARG B 38 -5.080 -3.337 10.259 1.00 2.88 N ATOM 1855 NH2 ARG B 38 -6.428 -4.541 11.713 1.00 3.07 N ATOM 0 H ARG B 38 0.062 -4.710 9.301 1.00 0.65 H new ATOM 0 HA ARG B 38 -0.613 -7.569 9.265 1.00 0.68 H new ATOM 0 HB2 ARG B 38 -1.891 -5.170 7.861 1.00 0.74 H new ATOM 0 HB3 ARG B 38 -2.321 -6.840 7.549 1.00 0.74 H new ATOM 0 HG2 ARG B 38 -3.005 -7.130 9.933 1.00 1.20 H new ATOM 0 HG3 ARG B 38 -2.524 -5.482 10.286 1.00 1.20 H new ATOM 0 HD2 ARG B 38 -4.183 -4.619 8.630 1.00 1.55 H new ATOM 0 HD3 ARG B 38 -4.635 -6.258 8.206 1.00 1.55 H new ATOM 0 HE ARG B 38 -5.587 -6.541 10.405 1.00 1.77 H new ATOM 0 HH11 ARG B 38 -4.428 -3.310 9.475 1.00 2.88 H new ATOM 0 HH12 ARG B 38 -5.362 -2.471 10.717 1.00 2.88 H new ATOM 0 HH21 ARG B 38 -6.804 -5.432 12.038 1.00 3.07 H new ATOM 0 HH22 ARG B 38 -6.708 -3.673 12.169 1.00 3.07 H new ATOM 1869 N LEU B 39 1.434 -5.985 7.478 1.00 0.55 N ATOM 1870 CA LEU B 39 2.234 -6.114 6.321 1.00 0.47 C ATOM 1871 C LEU B 39 2.980 -7.366 6.431 1.00 0.51 C ATOM 1872 O LEU B 39 3.088 -8.113 5.434 1.00 0.53 O ATOM 1873 CB LEU B 39 3.191 -4.926 6.196 1.00 0.36 C ATOM 1874 CG LEU B 39 3.757 -4.884 4.777 1.00 0.30 C ATOM 1875 CD1 LEU B 39 2.603 -4.662 3.799 1.00 0.34 C ATOM 1876 CD2 LEU B 39 4.748 -3.729 4.643 1.00 0.24 C ATOM 0 H LEU B 39 1.779 -5.328 8.178 1.00 0.55 H new ATOM 0 HA LEU B 39 1.609 -6.126 5.428 1.00 0.47 H new ATOM 0 HB2 LEU B 39 2.667 -3.997 6.419 1.00 0.36 H new ATOM 0 HB3 LEU B 39 4.000 -5.018 6.921 1.00 0.36 H new ATOM 0 HG LEU B 39 4.269 -5.822 4.561 1.00 0.30 H new ATOM 0 HD11 LEU B 39 2.990 -4.629 2.781 1.00 0.34 H new ATOM 0 HD12 LEU B 39 1.887 -5.479 3.889 1.00 0.34 H new ATOM 0 HD13 LEU B 39 2.107 -3.719 4.029 1.00 0.34 H new ATOM 0 HD21 LEU B 39 5.146 -3.707 3.629 1.00 0.24 H new ATOM 0 HD22 LEU B 39 4.240 -2.788 4.854 1.00 0.24 H new ATOM 0 HD23 LEU B 39 5.565 -3.867 5.351 1.00 0.24 H new ATOM 1888 N GLY B 40 3.520 -7.726 7.606 1.00 0.56 N ATOM 1889 CA GLY B 40 4.113 -8.999 7.750 1.00 0.64 C ATOM 1890 C GLY B 40 5.559 -8.961 7.956 1.00 0.60 C ATOM 1891 O GLY B 40 6.151 -10.030 8.217 1.00 0.68 O ATOM 0 H GLY B 40 3.542 -7.140 8.440 1.00 0.56 H new ATOM 0 HA2 GLY B 40 3.650 -9.511 8.593 1.00 0.64 H new ATOM 0 HA3 GLY B 40 3.898 -9.591 6.860 1.00 0.64 H new ATOM 1895 N LEU B 41 6.269 -7.829 7.862 1.00 0.54 N ATOM 1896 CA LEU B 41 7.665 -7.879 8.072 1.00 0.54 C ATOM 1897 C LEU B 41 8.082 -6.915 9.087 1.00 0.50 C ATOM 1898 O LEU B 41 7.248 -6.131 9.587 1.00 0.59 O ATOM 1899 CB LEU B 41 8.450 -7.683 6.773 1.00 0.56 C ATOM 1900 CG LEU B 41 7.940 -6.502 5.946 1.00 0.59 C ATOM 1901 CD1 LEU B 41 6.667 -6.914 5.208 1.00 0.60 C ATOM 1902 CD2 LEU B 41 7.647 -5.306 6.850 1.00 1.25 C ATOM 0 H LEU B 41 5.886 -6.908 7.647 1.00 0.54 H new ATOM 0 HA LEU B 41 7.896 -8.879 8.439 1.00 0.54 H new ATOM 0 HB2 LEU B 41 9.503 -7.528 7.010 1.00 0.56 H new ATOM 0 HB3 LEU B 41 8.389 -8.593 6.176 1.00 0.56 H new ATOM 0 HG LEU B 41 8.706 -6.215 5.226 1.00 0.59 H new ATOM 0 HD11 LEU B 41 6.301 -6.074 4.617 1.00 0.60 H new ATOM 0 HD12 LEU B 41 6.885 -7.754 4.548 1.00 0.60 H new ATOM 0 HD13 LEU B 41 5.906 -7.208 5.931 1.00 0.60 H new ATOM 0 HD21 LEU B 41 7.285 -4.474 6.246 1.00 1.25 H new ATOM 0 HD22 LEU B 41 6.888 -5.581 7.582 1.00 1.25 H new ATOM 0 HD23 LEU B 41 8.559 -5.009 7.368 1.00 1.25 H new ATOM 1914 N ASN B 42 9.355 -6.925 9.512 1.00 0.51 N ATOM 1915 CA ASN B 42 9.801 -6.077 10.550 1.00 0.53 C ATOM 1916 C ASN B 42 9.809 -4.673 10.150 1.00 0.44 C ATOM 1917 O ASN B 42 10.022 -4.344 8.964 1.00 0.38 O ATOM 1918 CB ASN B 42 11.231 -6.465 10.929 1.00 0.66 C ATOM 1919 CG ASN B 42 11.212 -7.695 11.714 1.00 0.81 C ATOM 1920 OD1 ASN B 42 10.533 -8.673 11.333 1.00 1.11 O ATOM 1921 ND2 ASN B 42 11.894 -7.763 12.866 1.00 1.45 N ATOM 0 H ASN B 42 10.078 -7.532 9.126 1.00 0.51 H new ATOM 0 HA ASN B 42 9.113 -6.196 11.387 1.00 0.53 H new ATOM 0 HB2 ASN B 42 11.831 -6.605 10.030 1.00 0.66 H new ATOM 0 HB3 ASN B 42 11.697 -5.663 11.502 1.00 0.66 H new ATOM 0 HD21 ASN B 42 11.858 -8.612 13.430 1.00 1.45 H new ATOM 0 HD22 ASN B 42 12.449 -6.966 13.178 1.00 1.45 H new ATOM 1928 N GLU B 43 9.614 -3.743 11.096 1.00 0.47 N ATOM 1929 CA GLU B 43 9.583 -2.362 10.802 1.00 0.45 C ATOM 1930 C GLU B 43 10.821 -1.912 10.167 1.00 0.40 C ATOM 1931 O GLU B 43 10.793 -0.951 9.369 1.00 0.38 O ATOM 1932 CB GLU B 43 9.420 -1.610 12.125 1.00 0.56 C ATOM 1933 CG GLU B 43 8.073 -1.973 12.753 1.00 0.67 C ATOM 1934 CD GLU B 43 7.956 -1.334 14.060 1.00 0.87 C ATOM 1935 OE1 GLU B 43 8.035 -0.091 14.162 1.00 1.77 O ATOM 1936 OE2 GLU B 43 7.775 -2.032 15.081 1.00 1.31 O ATOM 0 H GLU B 43 9.476 -3.962 12.083 1.00 0.47 H new ATOM 0 HA GLU B 43 8.761 -2.169 10.113 1.00 0.45 H new ATOM 0 HB2 GLU B 43 10.232 -1.868 12.805 1.00 0.56 H new ATOM 0 HB3 GLU B 43 9.476 -0.535 11.954 1.00 0.56 H new ATOM 0 HG2 GLU B 43 7.259 -1.650 12.104 1.00 0.67 H new ATOM 0 HG3 GLU B 43 7.988 -3.055 12.857 1.00 0.67 H new ATOM 1943 N GLU B 44 11.993 -2.512 10.419 1.00 0.46 N ATOM 1944 CA GLU B 44 13.163 -2.047 9.783 1.00 0.46 C ATOM 1945 C GLU B 44 13.133 -2.317 8.345 1.00 0.40 C ATOM 1946 O GLU B 44 13.899 -1.684 7.589 1.00 0.43 O ATOM 1947 CB GLU B 44 14.388 -2.716 10.408 1.00 0.60 C ATOM 1948 CG GLU B 44 14.360 -4.218 10.120 1.00 1.05 C ATOM 1949 CD GLU B 44 15.503 -4.853 10.770 1.00 1.49 C ATOM 1950 OE1 GLU B 44 15.632 -4.783 12.011 1.00 2.32 O ATOM 1951 OE2 GLU B 44 16.352 -5.466 10.087 1.00 1.77 O ATOM 0 H GLU B 44 12.123 -3.302 11.051 1.00 0.46 H new ATOM 0 HA GLU B 44 13.219 -0.967 9.923 1.00 0.46 H new ATOM 0 HB2 GLU B 44 15.300 -2.276 10.005 1.00 0.60 H new ATOM 0 HB3 GLU B 44 14.399 -2.543 11.484 1.00 0.60 H new ATOM 0 HG2 GLU B 44 13.430 -4.653 10.486 1.00 1.05 H new ATOM 0 HG3 GLU B 44 14.393 -4.395 9.045 1.00 1.05 H new ATOM 1958 N GLN B 45 12.286 -3.212 7.812 1.00 0.40 N ATOM 1959 CA GLN B 45 12.278 -3.415 6.417 1.00 0.41 C ATOM 1960 C GLN B 45 11.381 -2.432 5.814 1.00 0.35 C ATOM 1961 O GLN B 45 11.332 -2.304 4.572 1.00 0.41 O ATOM 1962 CB GLN B 45 11.854 -4.851 6.096 1.00 0.51 C ATOM 1963 CG GLN B 45 12.912 -5.797 6.672 1.00 0.60 C ATOM 1964 CD GLN B 45 12.584 -7.193 6.391 1.00 0.75 C ATOM 1965 OE1 GLN B 45 11.522 -7.511 5.640 1.00 0.90 O flip ATOM 1966 NE2 GLN B 45 13.306 -8.101 6.856 1.00 0.97 N flip ATOM 0 H GLN B 45 11.624 -3.779 8.341 1.00 0.40 H new ATOM 0 HA GLN B 45 13.277 -3.279 6.003 1.00 0.41 H new ATOM 0 HB2 GLN B 45 10.876 -5.065 6.527 1.00 0.51 H new ATOM 0 HB3 GLN B 45 11.764 -4.990 5.019 1.00 0.51 H new ATOM 0 HG2 GLN B 45 13.887 -5.558 6.248 1.00 0.60 H new ATOM 0 HG3 GLN B 45 12.988 -5.649 7.749 1.00 0.60 H new ATOM 0 HE21 GLN B 45 14.116 -7.865 7.429 1.00 0.97 H new ATOM 0 HE22 GLN B 45 13.085 -9.078 6.663 1.00 0.97 H new ATOM 1975 N ILE B 46 10.645 -1.638 6.606 1.00 0.29 N ATOM 1976 CA ILE B 46 9.868 -0.599 6.061 1.00 0.30 C ATOM 1977 C ILE B 46 10.809 0.481 5.789 1.00 0.39 C ATOM 1978 O ILE B 46 10.803 1.080 4.693 1.00 0.52 O ATOM 1979 CB ILE B 46 8.858 -0.093 7.096 1.00 0.35 C ATOM 1980 CG1 ILE B 46 7.926 -1.215 7.555 1.00 0.36 C ATOM 1981 CG2 ILE B 46 8.019 1.020 6.466 1.00 0.45 C ATOM 1982 CD1 ILE B 46 7.103 -1.717 6.370 1.00 0.38 C ATOM 0 H ILE B 46 10.595 -1.723 7.621 1.00 0.29 H new ATOM 0 HA ILE B 46 9.325 -0.934 5.177 1.00 0.30 H new ATOM 0 HB ILE B 46 9.407 0.277 7.962 1.00 0.35 H new ATOM 0 HG12 ILE B 46 8.508 -2.033 7.979 1.00 0.36 H new ATOM 0 HG13 ILE B 46 7.265 -0.853 8.342 1.00 0.36 H new ATOM 0 HG21 ILE B 46 7.296 1.388 7.194 1.00 0.45 H new ATOM 0 HG22 ILE B 46 8.671 1.837 6.158 1.00 0.45 H new ATOM 0 HG23 ILE B 46 7.491 0.629 5.596 1.00 0.45 H new ATOM 0 HD11 ILE B 46 6.440 -2.517 6.700 1.00 0.38 H new ATOM 0 HD12 ILE B 46 6.509 -0.897 5.966 1.00 0.38 H new ATOM 0 HD13 ILE B 46 7.772 -2.096 5.597 1.00 0.38 H new ATOM 1994 N GLU B 47 11.693 0.786 6.750 1.00 0.38 N ATOM 1995 CA GLU B 47 12.645 1.815 6.597 1.00 0.47 C ATOM 1996 C GLU B 47 13.570 1.539 5.499 1.00 0.51 C ATOM 1997 O GLU B 47 14.007 2.496 4.823 1.00 0.62 O ATOM 1998 CB GLU B 47 13.445 1.896 7.897 1.00 0.50 C ATOM 1999 CG GLU B 47 12.508 2.299 9.038 1.00 0.51 C ATOM 2000 CD GLU B 47 13.255 2.332 10.292 1.00 0.55 C ATOM 2001 OE1 GLU B 47 14.243 3.088 10.411 1.00 1.11 O ATOM 2002 OE2 GLU B 47 12.900 1.612 11.250 1.00 1.19 O ATOM 0 H GLU B 47 11.741 0.304 7.648 1.00 0.38 H new ATOM 0 HA GLU B 47 12.127 2.747 6.373 1.00 0.47 H new ATOM 0 HB2 GLU B 47 13.909 0.934 8.114 1.00 0.50 H new ATOM 0 HB3 GLU B 47 14.251 2.623 7.798 1.00 0.50 H new ATOM 0 HG2 GLU B 47 12.072 3.277 8.836 1.00 0.51 H new ATOM 0 HG3 GLU B 47 11.683 1.591 9.112 1.00 0.51 H new ATOM 2009 N ARG B 48 13.941 0.285 5.199 1.00 0.48 N ATOM 2010 CA ARG B 48 14.836 0.051 4.131 1.00 0.55 C ATOM 2011 C ARG B 48 14.204 0.282 2.836 1.00 0.60 C ATOM 2012 O ARG B 48 14.793 1.002 2.002 1.00 0.68 O ATOM 2013 CB ARG B 48 15.314 -1.404 4.156 1.00 0.56 C ATOM 2014 CG ARG B 48 16.701 -1.491 4.798 1.00 0.62 C ATOM 2015 CD ARG B 48 16.647 -1.127 6.280 1.00 0.60 C ATOM 2016 NE ARG B 48 17.943 -1.232 6.824 1.00 0.71 N ATOM 2017 CZ ARG B 48 18.139 -1.015 8.131 1.00 0.80 C ATOM 2018 NH1 ARG B 48 17.102 -0.699 8.918 1.00 0.79 N ATOM 2019 NH2 ARG B 48 19.372 -1.113 8.647 1.00 0.94 N ATOM 0 H ARG B 48 13.623 -0.550 5.691 1.00 0.48 H new ATOM 0 HA ARG B 48 15.669 0.742 4.258 1.00 0.55 H new ATOM 0 HB2 ARG B 48 14.607 -2.018 4.714 1.00 0.56 H new ATOM 0 HB3 ARG B 48 15.349 -1.801 3.141 1.00 0.56 H new ATOM 0 HG2 ARG B 48 17.095 -2.501 4.683 1.00 0.62 H new ATOM 0 HG3 ARG B 48 17.387 -0.820 4.281 1.00 0.62 H new ATOM 0 HD2 ARG B 48 16.267 -0.113 6.405 1.00 0.60 H new ATOM 0 HD3 ARG B 48 15.962 -1.792 6.807 1.00 0.60 H new ATOM 0 HE ARG B 48 18.731 -1.473 6.223 1.00 0.71 H new ATOM 0 HH11 ARG B 48 16.165 -0.624 8.522 1.00 0.79 H new ATOM 0 HH12 ARG B 48 17.249 -0.533 9.914 1.00 0.79 H new ATOM 0 HH21 ARG B 48 20.159 -1.353 8.045 1.00 0.94 H new ATOM 0 HH22 ARG B 48 19.523 -0.948 9.642 1.00 0.94 H new ATOM 2033 N TRP B 49 13.011 -0.231 2.509 1.00 0.56 N ATOM 2034 CA TRP B 49 12.500 0.051 1.224 1.00 0.64 C ATOM 2035 C TRP B 49 12.146 1.466 1.116 1.00 0.69 C ATOM 2036 O TRP B 49 12.163 2.022 -0.003 1.00 0.81 O ATOM 2037 CB TRP B 49 11.293 -0.829 0.908 1.00 0.75 C ATOM 2038 CG TRP B 49 10.974 -0.681 -0.506 1.00 1.06 C ATOM 2039 CD1 TRP B 49 9.785 -0.221 -1.064 1.00 0.90 C ATOM 2040 CD2 TRP B 49 11.820 -0.957 -1.568 1.00 1.95 C ATOM 2041 NE1 TRP B 49 9.905 -0.231 -2.403 1.00 1.29 N ATOM 2042 CE2 TRP B 49 11.132 -0.667 -2.726 1.00 1.98 C ATOM 2043 CE3 TRP B 49 13.121 -1.433 -1.585 1.00 2.83 C ATOM 2044 CZ2 TRP B 49 11.719 -0.842 -3.970 1.00 2.80 C ATOM 2045 CZ3 TRP B 49 13.722 -1.609 -2.830 1.00 3.66 C ATOM 2046 CH2 TRP B 49 13.029 -1.317 -4.007 1.00 3.63 C ATOM 0 H TRP B 49 12.427 -0.815 3.108 1.00 0.56 H new ATOM 0 HA TRP B 49 13.278 -0.171 0.493 1.00 0.64 H new ATOM 0 HB2 TRP B 49 11.512 -1.871 1.140 1.00 0.75 H new ATOM 0 HB3 TRP B 49 10.440 -0.538 1.522 1.00 0.75 H new ATOM 0 HD1 TRP B 49 8.911 0.092 -0.513 1.00 0.90 H new ATOM 0 HE1 TRP B 49 9.181 0.048 -3.065 1.00 1.29 H new ATOM 0 HE3 TRP B 49 13.648 -1.659 -0.670 1.00 2.83 H new ATOM 0 HZ2 TRP B 49 11.180 -0.618 -4.879 1.00 2.80 H new ATOM 0 HZ3 TRP B 49 14.736 -1.976 -2.885 1.00 3.66 H new ATOM 0 HH2 TRP B 49 13.516 -1.461 -4.960 1.00 3.63 H new ATOM 2057 N PHE B 50 11.786 2.143 2.216 1.00 0.65 N ATOM 2058 CA PHE B 50 11.473 3.520 2.192 1.00 0.72 C ATOM 2059 C PHE B 50 12.608 4.315 1.725 1.00 0.78 C ATOM 2060 O PHE B 50 12.437 5.183 0.842 1.00 0.89 O ATOM 2061 CB PHE B 50 11.125 3.957 3.617 1.00 0.72 C ATOM 2062 CG PHE B 50 10.891 5.397 3.660 1.00 0.86 C ATOM 2063 CD1 PHE B 50 9.762 5.945 3.062 1.00 1.33 C ATOM 2064 CD2 PHE B 50 11.789 6.218 4.332 1.00 1.66 C ATOM 2065 CE1 PHE B 50 9.534 7.314 3.137 1.00 1.54 C ATOM 2066 CE2 PHE B 50 11.561 7.587 4.405 1.00 2.06 C ATOM 2067 CZ PHE B 50 10.433 8.136 3.807 1.00 1.68 C ATOM 0 H PHE B 50 11.713 1.717 3.140 1.00 0.65 H new ATOM 0 HA PHE B 50 10.637 3.678 1.510 1.00 0.72 H new ATOM 0 HB2 PHE B 50 10.237 3.427 3.961 1.00 0.72 H new ATOM 0 HB3 PHE B 50 11.937 3.693 4.295 1.00 0.72 H new ATOM 0 HD1 PHE B 50 9.063 5.308 2.540 1.00 1.33 H new ATOM 0 HD2 PHE B 50 12.665 5.792 4.798 1.00 1.66 H new ATOM 0 HE1 PHE B 50 8.656 7.740 2.674 1.00 1.54 H new ATOM 0 HE2 PHE B 50 12.260 8.224 4.926 1.00 2.06 H new ATOM 0 HZ PHE B 50 10.255 9.200 3.863 1.00 1.68 H new ATOM 2077 N ARG B 51 13.827 4.146 2.256 1.00 0.75 N ATOM 2078 CA ARG B 51 14.892 4.961 1.817 1.00 0.82 C ATOM 2079 C ARG B 51 15.369 4.517 0.508 1.00 0.87 C ATOM 2080 O ARG B 51 15.881 5.355 -0.263 1.00 0.99 O ATOM 2081 CB ARG B 51 16.014 5.017 2.859 1.00 0.80 C ATOM 2082 CG ARG B 51 16.740 3.678 3.006 1.00 0.78 C ATOM 2083 CD ARG B 51 17.903 3.633 2.012 1.00 1.15 C ATOM 2084 NE ARG B 51 18.623 2.431 2.168 1.00 1.48 N ATOM 2085 CZ ARG B 51 19.961 2.464 2.234 1.00 1.92 C ATOM 2086 NH1 ARG B 51 20.606 3.636 2.156 1.00 2.22 N ATOM 2087 NH2 ARG B 51 20.653 1.326 2.377 1.00 2.46 N ATOM 0 H ARG B 51 14.065 3.460 2.972 1.00 0.75 H new ATOM 0 HA ARG B 51 14.525 5.981 1.701 1.00 0.82 H new ATOM 0 HB2 ARG B 51 16.731 5.787 2.576 1.00 0.80 H new ATOM 0 HB3 ARG B 51 15.597 5.309 3.823 1.00 0.80 H new ATOM 0 HG2 ARG B 51 17.110 3.560 4.024 1.00 0.78 H new ATOM 0 HG3 ARG B 51 16.052 2.854 2.819 1.00 0.78 H new ATOM 0 HD2 ARG B 51 17.525 3.710 0.993 1.00 1.15 H new ATOM 0 HD3 ARG B 51 18.563 4.486 2.173 1.00 1.15 H new ATOM 0 HE ARG B 51 18.128 1.541 2.230 1.00 1.48 H new ATOM 0 HH11 ARG B 51 20.079 4.502 2.046 1.00 2.22 H new ATOM 0 HH12 ARG B 51 21.624 3.662 2.206 1.00 2.22 H new ATOM 0 HH21 ARG B 51 20.161 0.434 2.436 1.00 2.46 H new ATOM 0 HH22 ARG B 51 21.671 1.351 2.427 1.00 2.46 H new ATOM 2101 N ARG B 52 15.262 3.233 0.127 1.00 0.84 N ATOM 2102 CA ARG B 52 15.688 2.820 -1.157 1.00 0.98 C ATOM 2103 C ARG B 52 14.900 3.521 -2.166 1.00 1.11 C ATOM 2104 O ARG B 52 15.457 4.018 -3.171 1.00 1.27 O ATOM 2105 CB ARG B 52 15.454 1.315 -1.300 1.00 1.02 C ATOM 2106 CG ARG B 52 16.475 0.552 -0.454 1.00 1.23 C ATOM 2107 CD ARG B 52 17.863 0.659 -1.089 1.00 1.31 C ATOM 2108 NE ARG B 52 17.848 0.040 -2.356 1.00 1.79 N ATOM 2109 CZ ARG B 52 18.983 -0.443 -2.881 1.00 2.25 C ATOM 2110 NH1 ARG B 52 20.129 -0.361 -2.192 1.00 2.15 N ATOM 2111 NH2 ARG B 52 18.969 -1.011 -4.094 1.00 3.07 N ATOM 0 H ARG B 52 14.881 2.489 0.711 1.00 0.84 H new ATOM 0 HA ARG B 52 16.746 3.045 -1.288 1.00 0.98 H new ATOM 0 HB2 ARG B 52 14.442 1.063 -0.982 1.00 1.02 H new ATOM 0 HB3 ARG B 52 15.542 1.021 -2.346 1.00 1.02 H new ATOM 0 HG2 ARG B 52 16.497 0.957 0.558 1.00 1.23 H new ATOM 0 HG3 ARG B 52 16.183 -0.495 -0.373 1.00 1.23 H new ATOM 0 HD2 ARG B 52 18.150 1.706 -1.187 1.00 1.31 H new ATOM 0 HD3 ARG B 52 18.606 0.183 -0.448 1.00 1.31 H new ATOM 0 HE ARG B 52 16.973 -0.040 -2.873 1.00 1.79 H new ATOM 0 HH11 ARG B 52 20.138 0.069 -1.267 1.00 2.15 H new ATOM 0 HH12 ARG B 52 20.992 -0.729 -2.592 1.00 2.15 H new ATOM 0 HH21 ARG B 52 18.096 -1.076 -4.617 1.00 3.07 H new ATOM 0 HH22 ARG B 52 19.832 -1.379 -4.495 1.00 3.07 H new ATOM 2125 N LYS B 53 13.577 3.649 -1.977 1.00 1.08 N ATOM 2126 CA LYS B 53 12.747 4.354 -2.877 1.00 1.25 C ATOM 2127 C LYS B 53 13.181 5.731 -3.133 1.00 1.35 C ATOM 2128 O LYS B 53 12.636 6.352 -4.071 1.00 1.57 O ATOM 2129 CB LYS B 53 11.325 4.383 -2.322 1.00 1.20 C ATOM 2130 CG LYS B 53 10.582 3.116 -2.751 1.00 1.31 C ATOM 2131 CD LYS B 53 10.195 3.254 -4.226 1.00 1.89 C ATOM 2132 CE LYS B 53 9.319 2.078 -4.652 1.00 2.23 C ATOM 2133 NZ LYS B 53 8.773 2.329 -5.984 1.00 2.62 N ATOM 0 H LYS B 53 13.081 3.251 -1.179 1.00 1.08 H new ATOM 0 HA LYS B 53 12.802 3.825 -3.829 1.00 1.25 H new ATOM 0 HB2 LYS B 53 11.349 4.452 -1.234 1.00 1.20 H new ATOM 0 HB3 LYS B 53 10.800 5.266 -2.686 1.00 1.20 H new ATOM 0 HG2 LYS B 53 11.213 2.239 -2.606 1.00 1.31 H new ATOM 0 HG3 LYS B 53 9.692 2.973 -2.138 1.00 1.31 H new ATOM 0 HD2 LYS B 53 9.661 4.191 -4.384 1.00 1.89 H new ATOM 0 HD3 LYS B 53 11.093 3.291 -4.843 1.00 1.89 H new ATOM 0 HE2 LYS B 53 9.904 1.158 -4.655 1.00 2.23 H new ATOM 0 HE3 LYS B 53 8.509 1.937 -3.937 1.00 2.23 H new ATOM 0 HZ1 LYS B 53 8.410 1.440 -6.384 1.00 2.62 H new ATOM 0 HZ2 LYS B 53 7.999 3.020 -5.917 1.00 2.62 H new ATOM 0 HZ3 LYS B 53 9.521 2.706 -6.600 1.00 2.62 H new ATOM 2147 N GLU B 54 14.118 6.356 -2.404 1.00 1.24 N ATOM 2148 CA GLU B 54 14.464 7.685 -2.720 1.00 1.34 C ATOM 2149 C GLU B 54 15.911 7.871 -2.758 1.00 1.32 C ATOM 2150 O GLU B 54 16.380 8.990 -3.053 1.00 1.39 O ATOM 2151 CB GLU B 54 13.843 8.603 -1.668 1.00 1.34 C ATOM 2152 CG GLU B 54 14.466 8.319 -0.301 1.00 1.18 C ATOM 2153 CD GLU B 54 13.741 9.062 0.727 1.00 1.29 C ATOM 2154 OE1 GLU B 54 13.682 10.310 0.681 1.00 1.61 O ATOM 2155 OE2 GLU B 54 13.168 8.444 1.649 1.00 1.87 O ATOM 0 H GLU B 54 14.620 5.946 -1.616 1.00 1.24 H new ATOM 0 HA GLU B 54 14.084 7.926 -3.713 1.00 1.34 H new ATOM 0 HB2 GLU B 54 14.004 9.646 -1.942 1.00 1.34 H new ATOM 0 HB3 GLU B 54 12.765 8.447 -1.626 1.00 1.34 H new ATOM 0 HG2 GLU B 54 14.429 7.251 -0.087 1.00 1.18 H new ATOM 0 HG3 GLU B 54 15.517 8.608 -0.301 1.00 1.18 H new ATOM 2162 N GLN B 55 16.765 6.868 -2.524 1.00 1.24 N ATOM 2163 CA GLN B 55 18.147 7.155 -2.540 1.00 1.27 C ATOM 2164 C GLN B 55 18.743 6.664 -3.779 1.00 1.34 C ATOM 2165 O GLN B 55 19.944 6.914 -4.013 1.00 1.42 O ATOM 2166 CB GLN B 55 18.827 6.496 -1.336 1.00 1.22 C ATOM 2167 CG GLN B 55 18.792 4.974 -1.485 1.00 1.35 C ATOM 2168 CD GLN B 55 19.861 4.543 -2.381 1.00 2.14 C ATOM 2169 OE1 GLN B 55 20.781 5.334 -2.681 1.00 2.60 O ATOM 2170 NE2 GLN B 55 19.877 3.290 -2.856 1.00 2.89 N ATOM 0 H GLN B 55 16.510 5.899 -2.332 1.00 1.24 H new ATOM 0 HA GLN B 55 18.288 8.234 -2.483 1.00 1.27 H new ATOM 0 HB2 GLN B 55 19.859 6.839 -1.258 1.00 1.22 H new ATOM 0 HB3 GLN B 55 18.323 6.791 -0.416 1.00 1.22 H new ATOM 0 HG2 GLN B 55 18.908 4.501 -0.510 1.00 1.35 H new ATOM 0 HG3 GLN B 55 17.825 4.660 -1.879 1.00 1.35 H new ATOM 0 HE21 GLN B 55 19.127 2.643 -2.613 1.00 2.89 H new ATOM 0 HE22 GLN B 55 20.639 2.984 -3.461 1.00 2.89 H new ATOM 2179 N GLN B 56 18.010 5.937 -4.635 1.00 1.34 N ATOM 2180 CA GLN B 56 18.549 5.427 -5.838 1.00 1.42 C ATOM 2181 C GLN B 56 19.084 6.472 -6.715 1.00 1.55 C ATOM 2182 O GLN B 56 20.264 6.386 -7.121 1.00 1.60 O ATOM 2183 CB GLN B 56 17.442 4.676 -6.579 1.00 1.47 C ATOM 2184 CG GLN B 56 18.005 4.033 -7.848 1.00 1.65 C ATOM 2185 CD GLN B 56 18.848 2.899 -7.478 1.00 1.83 C ATOM 2186 OE1 GLN B 56 19.836 3.075 -6.732 1.00 2.40 O ATOM 2187 NE2 GLN B 56 18.562 1.669 -7.929 1.00 2.08 N ATOM 0 H GLN B 56 17.029 5.703 -4.484 1.00 1.34 H new ATOM 0 HA GLN B 56 19.381 4.772 -5.577 1.00 1.42 H new ATOM 0 HB2 GLN B 56 17.015 3.910 -5.932 1.00 1.47 H new ATOM 0 HB3 GLN B 56 16.635 5.362 -6.836 1.00 1.47 H new ATOM 0 HG2 GLN B 56 17.192 3.702 -8.494 1.00 1.65 H new ATOM 0 HG3 GLN B 56 18.584 4.763 -8.414 1.00 1.65 H new ATOM 0 HE21 GLN B 56 17.756 1.523 -8.538 1.00 2.08 H new ATOM 0 HE22 GLN B 56 19.150 0.879 -7.663 1.00 2.08 H new ATOM 2196 N ILE B 57 18.324 7.498 -7.132 1.00 1.64 N ATOM 2197 CA ILE B 57 18.865 8.426 -8.051 1.00 1.81 C ATOM 2198 C ILE B 57 18.933 9.789 -7.526 1.00 1.89 C ATOM 2199 O ILE B 57 19.213 10.714 -8.320 1.00 2.07 O ATOM 2200 CB ILE B 57 18.012 8.433 -9.324 1.00 1.88 C ATOM 2201 CG1 ILE B 57 16.553 8.737 -8.984 1.00 2.08 C ATOM 2202 CG2 ILE B 57 18.082 7.064 -10.000 1.00 1.87 C ATOM 2203 CD1 ILE B 57 16.385 10.223 -8.665 1.00 2.66 C ATOM 0 H ILE B 57 17.363 7.676 -6.839 1.00 1.64 H new ATOM 0 HA ILE B 57 19.887 8.105 -8.255 1.00 1.81 H new ATOM 0 HB ILE B 57 18.398 9.202 -9.994 1.00 1.88 H new ATOM 0 HG12 ILE B 57 15.912 8.462 -9.822 1.00 2.08 H new ATOM 0 HG13 ILE B 57 16.238 8.136 -8.131 1.00 2.08 H new ATOM 0 HG21 ILE B 57 17.474 7.073 -10.905 1.00 1.87 H new ATOM 0 HG22 ILE B 57 19.116 6.839 -10.260 1.00 1.87 H new ATOM 0 HG23 ILE B 57 17.706 6.302 -9.318 1.00 1.87 H new ATOM 0 HD11 ILE B 57 15.342 10.428 -8.424 1.00 2.66 H new ATOM 0 HD12 ILE B 57 17.012 10.485 -7.813 1.00 2.66 H new ATOM 0 HD13 ILE B 57 16.681 10.817 -9.530 1.00 2.66 H new ATOM 2215 N GLY B 58 18.754 10.082 -6.229 1.00 1.79 N ATOM 2216 CA GLY B 58 18.908 11.426 -5.822 1.00 1.90 C ATOM 2217 C GLY B 58 17.725 12.001 -5.181 1.00 1.88 C ATOM 2218 O GLY B 58 17.447 13.200 -5.400 1.00 1.99 O ATOM 0 H GLY B 58 18.513 9.416 -5.495 1.00 1.79 H new ATOM 0 HA2 GLY B 58 19.748 11.490 -5.131 1.00 1.90 H new ATOM 0 HA3 GLY B 58 19.165 12.030 -6.692 1.00 1.90 H new ATOM 2222 N TRP B 59 16.948 11.258 -4.378 1.00 1.76 N ATOM 2223 CA TRP B 59 15.898 11.823 -3.612 1.00 1.74 C ATOM 2224 C TRP B 59 14.739 12.299 -4.372 1.00 1.83 C ATOM 2225 O TRP B 59 13.861 12.934 -3.749 1.00 1.90 O ATOM 2226 CB TRP B 59 16.456 12.970 -2.766 1.00 1.80 C ATOM 2227 CG TRP B 59 15.421 13.437 -1.851 1.00 2.05 C ATOM 2228 CD1 TRP B 59 15.020 12.813 -0.675 1.00 2.09 C ATOM 2229 CD2 TRP B 59 14.668 14.595 -1.953 1.00 2.50 C ATOM 2230 NE1 TRP B 59 14.056 13.551 -0.097 1.00 2.57 N ATOM 2231 CE2 TRP B 59 13.831 14.634 -0.857 1.00 2.86 C ATOM 2232 CE3 TRP B 59 14.662 15.593 -2.914 1.00 2.73 C ATOM 2233 CZ2 TRP B 59 12.939 15.678 -0.671 1.00 3.48 C ATOM 2234 CZ3 TRP B 59 13.769 16.648 -2.738 1.00 3.32 C ATOM 2235 CH2 TRP B 59 12.918 16.689 -1.631 1.00 3.70 C ATOM 0 H TRP B 59 17.054 10.250 -4.262 1.00 1.76 H new ATOM 0 HA TRP B 59 15.517 11.006 -2.999 1.00 1.74 H new ATOM 0 HB2 TRP B 59 17.329 12.634 -2.206 1.00 1.80 H new ATOM 0 HB3 TRP B 59 16.785 13.786 -3.409 1.00 1.80 H new ATOM 0 HD1 TRP B 59 15.418 11.886 -0.289 1.00 2.09 H new ATOM 0 HE1 TRP B 59 13.576 13.325 0.774 1.00 2.57 H new ATOM 0 HE3 TRP B 59 15.324 15.555 -3.767 1.00 2.73 H new ATOM 0 HZ2 TRP B 59 12.284 15.708 0.187 1.00 3.48 H new ATOM 0 HZ3 TRP B 59 13.734 17.444 -3.467 1.00 3.32 H new ATOM 0 HH2 TRP B 59 12.233 17.516 -1.517 1.00 3.70 H new ATOM 2246 N SER B 60 14.547 12.076 -5.682 1.00 1.88 N ATOM 2247 CA SER B 60 13.362 12.583 -6.263 1.00 1.98 C ATOM 2248 C SER B 60 12.351 11.530 -6.367 1.00 1.92 C ATOM 2249 O SER B 60 11.196 11.837 -6.734 1.00 1.97 O ATOM 2250 CB SER B 60 13.623 13.240 -7.622 1.00 2.09 C ATOM 2251 OG SER B 60 14.038 12.277 -8.575 1.00 2.16 O ATOM 0 H SER B 60 15.178 11.572 -6.305 1.00 1.88 H new ATOM 0 HA SER B 60 12.980 13.364 -5.605 1.00 1.98 H new ATOM 0 HB2 SER B 60 12.718 13.737 -7.971 1.00 2.09 H new ATOM 0 HB3 SER B 60 14.389 14.009 -7.518 1.00 2.09 H new ATOM 0 HG SER B 60 14.198 12.717 -9.436 1.00 2.16 H new ATOM 2257 N HIS B 61 12.662 10.259 -6.061 1.00 1.87 N ATOM 2258 CA HIS B 61 11.694 9.225 -6.026 1.00 1.91 C ATOM 2259 C HIS B 61 10.981 8.975 -7.286 1.00 1.97 C ATOM 2260 O HIS B 61 9.734 8.877 -7.256 1.00 2.60 O ATOM 2261 CB HIS B 61 10.700 9.596 -4.920 1.00 2.75 C ATOM 2262 CG HIS B 61 9.703 8.554 -4.707 1.00 3.15 C ATOM 2263 ND1 HIS B 61 9.917 7.313 -4.254 1.00 4.13 N ATOM 2264 CD2 HIS B 61 8.335 8.701 -4.886 1.00 3.11 C ATOM 2265 CE1 HIS B 61 8.728 6.701 -4.142 1.00 4.69 C ATOM 2266 NE2 HIS B 61 7.761 7.546 -4.529 1.00 4.06 N ATOM 0 H HIS B 61 13.607 9.950 -5.834 1.00 1.87 H new ATOM 0 HA HIS B 61 12.220 8.289 -5.838 1.00 1.91 H new ATOM 0 HB2 HIS B 61 11.242 9.774 -3.991 1.00 2.75 H new ATOM 0 HB3 HIS B 61 10.199 10.528 -5.181 1.00 2.75 H new ATOM 0 HD1 HIS B 61 10.825 6.904 -4.033 1.00 4.13 H new ATOM 0 HD2 HIS B 61 7.828 9.584 -5.246 1.00 3.11 H new ATOM 0 HE1 HIS B 61 8.574 5.690 -3.796 1.00 4.69 H new ATOM 2275 N PRO B 62 11.599 8.839 -8.472 1.00 1.93 N ATOM 2276 CA PRO B 62 10.882 8.568 -9.659 1.00 2.45 C ATOM 2277 C PRO B 62 10.851 7.163 -9.947 1.00 2.06 C ATOM 2278 O PRO B 62 10.325 6.773 -10.976 1.00 2.31 O ATOM 2279 CB PRO B 62 11.766 9.217 -10.719 1.00 3.15 C ATOM 2280 CG PRO B 62 13.161 8.900 -10.184 1.00 2.98 C ATOM 2281 CD PRO B 62 13.004 8.999 -8.663 1.00 2.10 C ATOM 0 HA PRO B 62 9.851 8.918 -9.605 1.00 2.45 H new ATOM 0 HB2 PRO B 62 11.599 8.792 -11.709 1.00 3.15 H new ATOM 0 HB3 PRO B 62 11.591 10.290 -10.799 1.00 3.15 H new ATOM 0 HG2 PRO B 62 13.489 7.906 -10.488 1.00 2.98 H new ATOM 0 HG3 PRO B 62 13.902 9.608 -10.556 1.00 2.98 H new ATOM 0 HD2 PRO B 62 13.572 8.224 -8.148 1.00 2.10 H new ATOM 0 HD3 PRO B 62 13.356 9.958 -8.283 1.00 2.10 H new ATOM 2289 N GLN B 63 11.411 6.295 -9.139 1.00 1.69 N ATOM 2290 CA GLN B 63 11.474 4.923 -9.473 1.00 1.51 C ATOM 2291 C GLN B 63 10.237 4.215 -9.158 1.00 1.56 C ATOM 2292 O GLN B 63 10.237 3.324 -8.281 1.00 1.92 O ATOM 2293 CB GLN B 63 12.639 4.276 -8.724 1.00 1.70 C ATOM 2294 CG GLN B 63 12.399 4.365 -7.218 1.00 2.04 C ATOM 2295 CD GLN B 63 13.525 3.752 -6.520 1.00 2.56 C ATOM 2296 OE1 GLN B 63 13.741 2.526 -6.630 1.00 3.20 O ATOM 2297 NE2 GLN B 63 14.318 4.510 -5.754 1.00 2.72 N ATOM 0 H GLN B 63 11.829 6.534 -8.240 1.00 1.69 H new ATOM 0 HA GLN B 63 11.623 4.852 -10.550 1.00 1.51 H new ATOM 0 HB2 GLN B 63 12.742 3.233 -9.024 1.00 1.70 H new ATOM 0 HB3 GLN B 63 13.572 4.776 -8.983 1.00 1.70 H new ATOM 0 HG2 GLN B 63 12.290 5.406 -6.915 1.00 2.04 H new ATOM 0 HG3 GLN B 63 11.471 3.858 -6.954 1.00 2.04 H new ATOM 0 HE21 GLN B 63 14.138 5.510 -5.667 1.00 2.72 H new ATOM 0 HE22 GLN B 63 15.102 4.088 -5.257 1.00 2.72 H new ATOM 2306 N PHE B 64 9.112 4.513 -9.823 1.00 1.50 N ATOM 2307 CA PHE B 64 7.901 3.850 -9.536 1.00 1.63 C ATOM 2308 C PHE B 64 7.919 2.522 -10.147 1.00 1.91 C ATOM 2309 O PHE B 64 7.561 1.525 -9.483 1.00 2.60 O ATOM 2310 CB PHE B 64 6.778 4.668 -10.174 1.00 1.89 C ATOM 2311 CG PHE B 64 6.692 5.959 -9.499 1.00 3.00 C ATOM 2312 CD1 PHE B 64 6.284 6.025 -8.172 1.00 3.61 C ATOM 2313 CD2 PHE B 64 7.040 7.120 -10.179 1.00 3.73 C ATOM 2314 CE1 PHE B 64 6.214 7.256 -7.529 1.00 4.84 C ATOM 2315 CE2 PHE B 64 6.976 8.349 -9.534 1.00 4.94 C ATOM 2316 CZ PHE B 64 6.561 8.417 -8.209 1.00 5.47 C ATOM 0 H PHE B 64 9.049 5.216 -10.560 1.00 1.50 H new ATOM 0 HA PHE B 64 7.760 3.750 -8.460 1.00 1.63 H new ATOM 0 HB2 PHE B 64 6.972 4.811 -11.237 1.00 1.89 H new ATOM 0 HB3 PHE B 64 5.830 4.136 -10.092 1.00 1.89 H new ATOM 0 HD1 PHE B 64 6.022 5.122 -7.641 1.00 3.61 H new ATOM 0 HD2 PHE B 64 7.360 7.067 -11.209 1.00 3.73 H new ATOM 0 HE1 PHE B 64 5.890 7.310 -6.500 1.00 4.84 H new ATOM 0 HE2 PHE B 64 7.249 9.251 -10.062 1.00 4.94 H new ATOM 0 HZ PHE B 64 6.508 9.372 -7.708 1.00 5.47 H new ATOM 2326 N GLU B 65 8.359 2.368 -11.403 1.00 2.14 N ATOM 2327 CA GLU B 65 8.431 1.085 -11.988 1.00 2.99 C ATOM 2328 C GLU B 65 9.813 0.807 -12.364 1.00 3.60 C ATOM 2329 O GLU B 65 10.105 -0.292 -12.883 1.00 4.49 O ATOM 2330 CB GLU B 65 7.560 1.024 -13.245 1.00 3.51 C ATOM 2331 CG GLU B 65 6.085 1.196 -12.881 1.00 3.70 C ATOM 2332 CD GLU B 65 5.558 -0.058 -12.347 1.00 4.67 C ATOM 2333 OE1 GLU B 65 6.038 -0.557 -11.305 1.00 5.30 O ATOM 2334 OE2 GLU B 65 4.626 -0.640 -12.942 1.00 5.13 O ATOM 0 H GLU B 65 8.662 3.133 -12.006 1.00 2.14 H new ATOM 0 HA GLU B 65 8.076 0.349 -11.267 1.00 2.99 H new ATOM 0 HB2 GLU B 65 7.862 1.805 -13.943 1.00 3.51 H new ATOM 0 HB3 GLU B 65 7.707 0.070 -13.751 1.00 3.51 H new ATOM 0 HG2 GLU B 65 5.973 1.991 -12.144 1.00 3.70 H new ATOM 0 HG3 GLU B 65 5.516 1.495 -13.761 1.00 3.70 H new ATOM 2341 N LYS B 66 10.766 1.729 -12.162 1.00 3.37 N ATOM 2342 CA LYS B 66 12.097 1.465 -12.544 1.00 4.26 C ATOM 2343 C LYS B 66 12.975 1.607 -11.387 1.00 5.05 C ATOM 2344 O LYS B 66 12.801 0.890 -10.378 1.00 5.15 O ATOM 2345 CB LYS B 66 12.515 2.469 -13.620 1.00 4.08 C ATOM 2346 CG LYS B 66 11.646 2.277 -14.864 1.00 3.92 C ATOM 2347 CD LYS B 66 12.046 3.299 -15.931 1.00 4.31 C ATOM 2348 CE LYS B 66 11.734 4.708 -15.425 1.00 4.82 C ATOM 2349 NZ LYS B 66 12.065 5.683 -16.463 1.00 5.28 N ATOM 2350 OXT LYS B 66 13.903 2.444 -11.407 1.00 5.88 O ATOM 0 H LYS B 66 10.610 2.644 -11.739 1.00 3.37 H new ATOM 0 HA LYS B 66 12.172 0.450 -12.933 1.00 4.26 H new ATOM 0 HB2 LYS B 66 12.409 3.486 -13.243 1.00 4.08 H new ATOM 0 HB3 LYS B 66 13.566 2.330 -13.873 1.00 4.08 H new ATOM 0 HG2 LYS B 66 11.766 1.265 -15.252 1.00 3.92 H new ATOM 0 HG3 LYS B 66 10.594 2.397 -14.607 1.00 3.92 H new ATOM 0 HD2 LYS B 66 13.108 3.209 -16.157 1.00 4.31 H new ATOM 0 HD3 LYS B 66 11.505 3.105 -16.857 1.00 4.31 H new ATOM 0 HE2 LYS B 66 10.679 4.786 -15.161 1.00 4.82 H new ATOM 0 HE3 LYS B 66 12.305 4.916 -14.520 1.00 4.82 H new ATOM 0 HZ1 LYS B 66 11.853 6.641 -16.119 1.00 5.28 H new ATOM 0 HZ2 LYS B 66 13.077 5.614 -16.694 1.00 5.28 H new ATOM 0 HZ3 LYS B 66 11.501 5.488 -17.315 1.00 5.28 H new TER 2364 LYS B 66