USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 649 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 54 LYS NZ :NH3+ -112:sc= -3.63! (180deg=-6.67!) USER MOD Set 1.2: A 61 GLN : amide:sc= -0.874! C(o=-10!,f=-21!) USER MOD Set 1.3: A 68 HIS : no HE2:sc= -5.68! C(o=-10!,f=-19!) USER MOD Set 2.1: A 51 LYS NZ :NH3+ -169:sc= 0.967! (180deg=-0.00987) USER MOD Set 2.2: A 66 GLN : amide:sc= 0.885 K(o=1.9,f=-10!) USER MOD Set 3.1: A 9 SER OG : rot -9:sc= 0.82 USER MOD Set 3.2: A 35 TYR OH : rot 166:sc= 0.123 USER MOD Single : A 1 MET CE :methyl 172:sc= -0.398 (180deg=-0.613) USER MOD Single : A 1 MET N :NH3+ -176:sc= -2.7! (180deg=-2.97!) USER MOD Single : A 2 GLN : amide:sc= 1.03 K(o=1,f=-0.096) USER MOD Single : A 3 THR OG1 : rot 138:sc= 1.45 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -159:sc= -2.55! (180deg=-3.75!) USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 0.116 (180deg=0.0389) USER MOD Single : A 25 SER OG : rot 105:sc= 0.61 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.739 K(o=-0.74,f=-4.2!) USER MOD Single : A 33 TYR OH : rot -114:sc= 0.672 USER MOD Single : A 34 GLN : amide:sc= 0.459 K(o=0.46,f=-0.49) USER MOD Single : A 44 THR OG1 : rot -64:sc= 1.36 USER MOD Single : A 45 LYS NZ :NH3+ -149:sc= -2.46! (180deg=-2.8!) USER MOD Single : A 49 GLN : amide:sc= -0.0818 X(o=-0.082,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 152:sc= -0.731! USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0512 USER MOD Single : A 80 LYS NZ :NH3+ -138:sc= -1.69! (180deg=-3.24!) USER MOD Single : A 82 ASN : amide:sc= 0.236 X(o=0.24,f=-0.047) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.629 -3.431 8.016 1.00 2.16 N ATOM 2 CA MET A 1 -8.571 -3.525 6.539 1.00 1.46 C ATOM 3 C MET A 1 -7.219 -4.124 6.158 1.00 1.29 C ATOM 4 O MET A 1 -6.329 -4.216 6.997 1.00 1.47 O ATOM 5 CB MET A 1 -8.718 -2.135 5.906 1.00 1.29 C ATOM 6 CG MET A 1 -10.166 -1.644 6.049 1.00 2.08 C ATOM 7 SD MET A 1 -10.496 0.062 5.543 1.00 2.17 S ATOM 8 CE MET A 1 -9.806 -0.042 3.870 1.00 1.74 C ATOM 0 H1 MET A 1 -9.567 -3.089 8.305 1.00 2.16 H new ATOM 0 H2 MET A 1 -8.460 -4.370 8.431 1.00 2.16 H new ATOM 0 H3 MET A 1 -7.900 -2.768 8.351 1.00 2.16 H new ATOM 0 HA MET A 1 -9.385 -4.151 6.175 1.00 1.46 H new ATOM 0 HB2 MET A 1 -8.038 -1.433 6.388 1.00 1.29 H new ATOM 0 HB3 MET A 1 -8.441 -2.175 4.853 1.00 1.29 H new ATOM 0 HG2 MET A 1 -10.809 -2.303 5.465 1.00 2.08 H new ATOM 0 HG3 MET A 1 -10.461 -1.753 7.092 1.00 2.08 H new ATOM 0 HE1 MET A 1 -10.035 0.873 3.324 1.00 1.74 H new ATOM 0 HE2 MET A 1 -8.725 -0.168 3.929 1.00 1.74 H new ATOM 0 HE3 MET A 1 -10.242 -0.894 3.349 1.00 1.74 H new ATOM 18 N GLN A 2 -7.073 -4.469 4.897 1.00 1.08 N ATOM 19 CA GLN A 2 -5.814 -5.089 4.420 1.00 0.99 C ATOM 20 C GLN A 2 -5.222 -4.274 3.270 1.00 0.95 C ATOM 21 O GLN A 2 -5.938 -3.703 2.478 1.00 1.41 O ATOM 22 CB GLN A 2 -6.169 -6.495 3.930 1.00 1.07 C ATOM 23 CG GLN A 2 -5.023 -7.115 3.119 1.00 2.06 C ATOM 24 CD GLN A 2 -3.895 -7.577 4.044 1.00 3.11 C ATOM 25 OE1 GLN A 2 -4.113 -8.334 4.959 1.00 3.30 O ATOM 26 NE2 GLN A 2 -2.677 -7.165 3.860 1.00 4.88 N ATOM 0 H GLN A 2 -7.786 -4.342 4.179 1.00 1.08 H new ATOM 0 HA GLN A 2 -5.074 -5.124 5.220 1.00 0.99 H new ATOM 0 HB2 GLN A 2 -6.397 -7.132 4.784 1.00 1.07 H new ATOM 0 HB3 GLN A 2 -7.068 -6.451 3.316 1.00 1.07 H new ATOM 0 HG2 GLN A 2 -5.396 -7.961 2.541 1.00 2.06 H new ATOM 0 HG3 GLN A 2 -4.639 -6.386 2.406 1.00 2.06 H new ATOM 0 HE21 GLN A 2 -2.465 -6.525 3.094 1.00 4.88 H new ATOM 0 HE22 GLN A 2 -1.932 -7.481 4.481 1.00 4.88 H new ATOM 35 N THR A 3 -3.927 -4.239 3.179 1.00 0.68 N ATOM 36 CA THR A 3 -3.299 -3.488 2.053 1.00 0.63 C ATOM 37 C THR A 3 -2.292 -4.393 1.347 1.00 0.64 C ATOM 38 O THR A 3 -1.795 -5.331 1.936 1.00 1.02 O ATOM 39 CB THR A 3 -2.631 -2.238 2.627 1.00 0.72 C ATOM 40 OG1 THR A 3 -3.722 -1.439 3.079 1.00 0.69 O ATOM 41 CG2 THR A 3 -1.934 -1.398 1.550 1.00 0.86 C ATOM 0 H THR A 3 -3.279 -4.690 3.824 1.00 0.68 H new ATOM 0 HA THR A 3 -4.043 -3.181 1.318 1.00 0.63 H new ATOM 0 HB THR A 3 -1.894 -2.525 3.377 1.00 0.72 H new ATOM 0 HG1 THR A 3 -3.499 -1.041 3.946 1.00 0.69 H new ATOM 0 HG21 THR A 3 -1.476 -0.523 2.011 1.00 0.86 H new ATOM 0 HG22 THR A 3 -1.164 -1.997 1.064 1.00 0.86 H new ATOM 0 HG23 THR A 3 -2.666 -1.077 0.809 1.00 0.86 H new ATOM 49 N VAL A 4 -2.043 -4.120 0.100 1.00 0.46 N ATOM 50 CA VAL A 4 -1.072 -4.942 -0.684 1.00 0.46 C ATOM 51 C VAL A 4 -0.164 -3.982 -1.448 1.00 0.50 C ATOM 52 O VAL A 4 -0.672 -3.074 -2.096 1.00 0.53 O ATOM 53 CB VAL A 4 -1.854 -5.820 -1.678 1.00 0.49 C ATOM 54 CG1 VAL A 4 -0.943 -6.938 -2.194 1.00 0.70 C ATOM 55 CG2 VAL A 4 -3.088 -6.440 -0.998 1.00 0.74 C ATOM 0 H VAL A 4 -2.473 -3.355 -0.419 1.00 0.46 H new ATOM 0 HA VAL A 4 -0.480 -5.582 -0.030 1.00 0.46 H new ATOM 0 HB VAL A 4 -2.187 -5.198 -2.509 1.00 0.49 H new ATOM 0 HG11 VAL A 4 -1.495 -7.561 -2.898 1.00 0.70 H new ATOM 0 HG12 VAL A 4 -0.079 -6.501 -2.695 1.00 0.70 H new ATOM 0 HG13 VAL A 4 -0.606 -7.548 -1.356 1.00 0.70 H new ATOM 0 HG21 VAL A 4 -3.628 -7.057 -1.716 1.00 0.74 H new ATOM 0 HG22 VAL A 4 -2.769 -7.057 -0.158 1.00 0.74 H new ATOM 0 HG23 VAL A 4 -3.742 -5.646 -0.638 1.00 0.74 H new ATOM 65 N ILE A 5 1.130 -4.167 -1.325 1.00 0.56 N ATOM 66 CA ILE A 5 2.072 -3.273 -2.066 1.00 0.60 C ATOM 67 C ILE A 5 2.762 -4.104 -3.152 1.00 0.54 C ATOM 68 O ILE A 5 3.456 -5.052 -2.836 1.00 0.60 O ATOM 69 CB ILE A 5 3.141 -2.704 -1.111 1.00 0.71 C ATOM 70 CG1 ILE A 5 2.473 -2.181 0.180 1.00 0.89 C ATOM 71 CG2 ILE A 5 3.872 -1.554 -1.838 1.00 0.70 C ATOM 72 CD1 ILE A 5 3.535 -1.677 1.163 1.00 2.73 C ATOM 0 H ILE A 5 1.568 -4.888 -0.752 1.00 0.56 H new ATOM 0 HA ILE A 5 1.519 -2.442 -2.503 1.00 0.60 H new ATOM 0 HB ILE A 5 3.852 -3.482 -0.834 1.00 0.71 H new ATOM 0 HG12 ILE A 5 1.780 -1.375 -0.062 1.00 0.89 H new ATOM 0 HG13 ILE A 5 1.888 -2.976 0.642 1.00 0.89 H new ATOM 0 HG21 ILE A 5 4.634 -1.135 -1.181 1.00 0.70 H new ATOM 0 HG22 ILE A 5 4.343 -1.937 -2.743 1.00 0.70 H new ATOM 0 HG23 ILE A 5 3.155 -0.777 -2.103 1.00 0.70 H new ATOM 0 HD11 ILE A 5 3.049 -1.312 2.068 1.00 2.73 H new ATOM 0 HD12 ILE A 5 4.211 -2.493 1.418 1.00 2.73 H new ATOM 0 HD13 ILE A 5 4.101 -0.867 0.703 1.00 2.73 H new ATOM 84 N PHE A 6 2.595 -3.711 -4.392 1.00 0.51 N ATOM 85 CA PHE A 6 3.219 -4.462 -5.521 1.00 0.48 C ATOM 86 C PHE A 6 4.457 -3.691 -5.969 1.00 0.53 C ATOM 87 O PHE A 6 4.435 -3.037 -6.994 1.00 0.62 O ATOM 88 CB PHE A 6 2.245 -4.537 -6.715 1.00 0.53 C ATOM 89 CG PHE A 6 1.044 -5.452 -6.433 1.00 0.55 C ATOM 90 CD1 PHE A 6 0.063 -5.099 -5.519 1.00 0.89 C ATOM 91 CD2 PHE A 6 0.913 -6.640 -7.126 1.00 0.65 C ATOM 92 CE1 PHE A 6 -1.026 -5.926 -5.311 1.00 0.96 C ATOM 93 CE2 PHE A 6 -0.170 -7.464 -6.915 1.00 0.73 C ATOM 94 CZ PHE A 6 -1.140 -7.107 -6.009 1.00 0.74 C ATOM 0 H PHE A 6 2.049 -2.896 -4.670 1.00 0.51 H new ATOM 0 HA PHE A 6 3.469 -5.471 -5.194 1.00 0.48 H new ATOM 0 HB2 PHE A 6 1.887 -3.535 -6.952 1.00 0.53 H new ATOM 0 HB3 PHE A 6 2.778 -4.902 -7.593 1.00 0.53 H new ATOM 0 HD1 PHE A 6 0.150 -4.175 -4.967 1.00 0.89 H new ATOM 0 HD2 PHE A 6 1.669 -6.926 -7.842 1.00 0.65 H new ATOM 0 HE1 PHE A 6 -1.788 -5.645 -4.600 1.00 0.96 H new ATOM 0 HE2 PHE A 6 -0.257 -8.391 -7.462 1.00 0.73 H new ATOM 0 HZ PHE A 6 -1.990 -7.752 -5.845 1.00 0.74 H new ATOM 104 N GLY A 7 5.495 -3.754 -5.195 1.00 0.66 N ATOM 105 CA GLY A 7 6.728 -3.004 -5.572 1.00 0.73 C ATOM 106 C GLY A 7 7.951 -3.766 -5.109 1.00 1.43 C ATOM 107 O GLY A 7 7.834 -4.876 -4.645 1.00 2.20 O ATOM 0 H GLY A 7 5.550 -4.284 -4.326 1.00 0.66 H new ATOM 0 HA2 GLY A 7 6.763 -2.863 -6.652 1.00 0.73 H new ATOM 0 HA3 GLY A 7 6.714 -2.012 -5.121 1.00 0.73 H new ATOM 111 N ARG A 8 9.095 -3.168 -5.246 1.00 1.34 N ATOM 112 CA ARG A 8 10.335 -3.867 -4.802 1.00 2.12 C ATOM 113 C ARG A 8 11.072 -3.004 -3.774 1.00 2.55 C ATOM 114 O ARG A 8 11.002 -1.788 -3.801 1.00 3.35 O ATOM 115 CB ARG A 8 11.272 -4.096 -5.988 1.00 2.27 C ATOM 116 CG ARG A 8 10.497 -4.697 -7.162 1.00 2.30 C ATOM 117 CD ARG A 8 11.495 -5.339 -8.124 1.00 2.87 C ATOM 118 NE ARG A 8 12.050 -6.564 -7.462 1.00 4.08 N ATOM 119 CZ ARG A 8 13.272 -6.587 -7.015 1.00 4.87 C ATOM 120 NH1 ARG A 8 14.207 -5.990 -7.690 1.00 4.99 N ATOM 121 NH2 ARG A 8 13.504 -7.193 -5.893 1.00 6.27 N ATOM 0 H ARG A 8 9.230 -2.237 -5.641 1.00 1.34 H new ATOM 0 HA ARG A 8 10.050 -4.824 -4.366 1.00 2.12 H new ATOM 0 HB2 ARG A 8 11.728 -3.153 -6.288 1.00 2.27 H new ATOM 0 HB3 ARG A 8 12.083 -4.764 -5.697 1.00 2.27 H new ATOM 0 HG2 ARG A 8 9.784 -5.440 -6.805 1.00 2.30 H new ATOM 0 HG3 ARG A 8 9.923 -3.924 -7.672 1.00 2.30 H new ATOM 0 HD2 ARG A 8 11.006 -5.601 -9.062 1.00 2.87 H new ATOM 0 HD3 ARG A 8 12.296 -4.640 -8.366 1.00 2.87 H new ATOM 0 HE ARG A 8 11.462 -7.391 -7.360 1.00 4.08 H new ATOM 0 HH11 ARG A 8 13.980 -5.510 -8.561 1.00 4.99 H new ATOM 0 HH12 ARG A 8 15.168 -6.001 -7.349 1.00 4.99 H new ATOM 0 HH21 ARG A 8 12.739 -7.636 -5.385 1.00 6.27 H new ATOM 0 HH22 ARG A 8 14.452 -7.227 -5.518 1.00 6.27 H new ATOM 135 N SER A 9 11.842 -3.641 -2.942 1.00 2.80 N ATOM 136 CA SER A 9 12.579 -2.880 -1.900 1.00 3.29 C ATOM 137 C SER A 9 13.730 -2.070 -2.511 1.00 3.02 C ATOM 138 O SER A 9 14.882 -2.446 -2.406 1.00 3.44 O ATOM 139 CB SER A 9 13.127 -3.877 -0.875 1.00 4.17 C ATOM 140 OG SER A 9 11.985 -4.642 -0.485 1.00 5.00 O ATOM 0 H SER A 9 11.993 -4.650 -2.937 1.00 2.80 H new ATOM 0 HA SER A 9 11.899 -2.174 -1.422 1.00 3.29 H new ATOM 0 HB2 SER A 9 13.901 -4.510 -1.309 1.00 4.17 H new ATOM 0 HB3 SER A 9 13.574 -3.366 -0.022 1.00 4.17 H new ATOM 0 HG SER A 9 11.175 -4.233 -0.856 1.00 5.00 H new ATOM 146 N GLY A 10 13.402 -0.967 -3.132 1.00 2.97 N ATOM 147 CA GLY A 10 14.479 -0.116 -3.741 1.00 3.01 C ATOM 148 C GLY A 10 14.049 0.551 -5.052 1.00 2.53 C ATOM 149 O GLY A 10 14.886 0.917 -5.855 1.00 2.81 O ATOM 0 H GLY A 10 12.450 -0.618 -3.246 1.00 2.97 H new ATOM 0 HA2 GLY A 10 14.772 0.654 -3.028 1.00 3.01 H new ATOM 0 HA3 GLY A 10 15.359 -0.732 -3.925 1.00 3.01 H new ATOM 153 N CYS A 11 12.763 0.674 -5.246 1.00 2.14 N ATOM 154 CA CYS A 11 12.234 1.343 -6.474 1.00 2.11 C ATOM 155 C CYS A 11 11.353 2.530 -6.058 1.00 2.52 C ATOM 156 O CYS A 11 10.142 2.442 -6.050 1.00 3.10 O ATOM 157 CB CYS A 11 11.417 0.337 -7.290 1.00 1.83 C ATOM 158 SG CYS A 11 10.560 -0.982 -6.396 1.00 1.66 S ATOM 0 H CYS A 11 12.048 0.337 -4.601 1.00 2.14 H new ATOM 0 HA CYS A 11 13.059 1.706 -7.087 1.00 2.11 H new ATOM 0 HB2 CYS A 11 10.672 0.894 -7.858 1.00 1.83 H new ATOM 0 HB3 CYS A 11 12.086 -0.129 -8.013 1.00 1.83 H new ATOM 163 N PRO A 12 12.002 3.631 -5.738 1.00 2.50 N ATOM 164 CA PRO A 12 11.581 4.566 -4.662 1.00 2.53 C ATOM 165 C PRO A 12 10.105 4.421 -4.237 1.00 2.27 C ATOM 166 O PRO A 12 9.835 3.989 -3.130 1.00 2.21 O ATOM 167 CB PRO A 12 11.903 5.942 -5.263 1.00 3.18 C ATOM 168 CG PRO A 12 13.016 5.703 -6.322 1.00 3.18 C ATOM 169 CD PRO A 12 13.105 4.178 -6.557 1.00 2.75 C ATOM 0 HA PRO A 12 12.100 4.373 -3.723 1.00 2.53 H new ATOM 0 HB2 PRO A 12 11.018 6.383 -5.721 1.00 3.18 H new ATOM 0 HB3 PRO A 12 12.241 6.634 -4.492 1.00 3.18 H new ATOM 0 HG2 PRO A 12 12.781 6.222 -7.251 1.00 3.18 H new ATOM 0 HG3 PRO A 12 13.971 6.094 -5.971 1.00 3.18 H new ATOM 0 HD2 PRO A 12 12.983 3.928 -7.611 1.00 2.75 H new ATOM 0 HD3 PRO A 12 14.071 3.781 -6.245 1.00 2.75 H new ATOM 177 N TYR A 13 9.194 4.803 -5.107 1.00 2.49 N ATOM 178 CA TYR A 13 7.725 4.693 -4.791 1.00 2.49 C ATOM 179 C TYR A 13 7.411 3.465 -3.926 1.00 1.99 C ATOM 180 O TYR A 13 6.675 3.553 -2.965 1.00 2.01 O ATOM 181 CB TYR A 13 6.943 4.568 -6.102 1.00 2.98 C ATOM 182 CG TYR A 13 6.687 5.916 -6.798 1.00 2.37 C ATOM 183 CD1 TYR A 13 6.588 7.110 -6.097 1.00 1.98 C ATOM 184 CD2 TYR A 13 6.454 5.932 -8.163 1.00 3.62 C ATOM 185 CE1 TYR A 13 6.256 8.279 -6.752 1.00 2.17 C ATOM 186 CE2 TYR A 13 6.121 7.103 -8.809 1.00 3.71 C ATOM 187 CZ TYR A 13 6.018 8.281 -8.109 1.00 2.66 C ATOM 188 OH TYR A 13 5.670 9.443 -8.756 1.00 3.29 O ATOM 0 H TYR A 13 9.405 5.188 -6.028 1.00 2.49 H new ATOM 0 HA TYR A 13 7.438 5.586 -4.236 1.00 2.49 H new ATOM 0 HB2 TYR A 13 7.492 3.916 -6.782 1.00 2.98 H new ATOM 0 HB3 TYR A 13 5.987 4.085 -5.900 1.00 2.98 H new ATOM 0 HD1 TYR A 13 6.772 7.125 -5.033 1.00 1.98 H new ATOM 0 HD2 TYR A 13 6.534 5.015 -8.728 1.00 3.62 H new ATOM 0 HE1 TYR A 13 6.182 9.201 -6.195 1.00 2.17 H new ATOM 0 HE2 TYR A 13 5.940 7.095 -9.874 1.00 3.71 H new ATOM 0 HH TYR A 13 5.541 9.260 -9.710 1.00 3.29 H new ATOM 198 N CYS A 14 7.996 2.357 -4.306 1.00 1.68 N ATOM 199 CA CYS A 14 7.776 1.078 -3.572 1.00 1.31 C ATOM 200 C CYS A 14 8.048 1.286 -2.089 1.00 0.97 C ATOM 201 O CYS A 14 7.180 1.083 -1.245 1.00 1.05 O ATOM 202 CB CYS A 14 8.754 0.036 -4.142 1.00 1.05 C ATOM 203 SG CYS A 14 8.732 -0.252 -5.934 1.00 2.03 S ATOM 0 H CYS A 14 8.625 2.286 -5.106 1.00 1.68 H new ATOM 0 HA CYS A 14 6.747 0.739 -3.691 1.00 1.31 H new ATOM 0 HB2 CYS A 14 9.764 0.337 -3.863 1.00 1.05 H new ATOM 0 HB3 CYS A 14 8.556 -0.915 -3.647 1.00 1.05 H new ATOM 208 N VAL A 15 9.236 1.756 -1.826 1.00 0.79 N ATOM 209 CA VAL A 15 9.631 1.998 -0.425 1.00 0.68 C ATOM 210 C VAL A 15 8.641 2.976 0.182 1.00 0.67 C ATOM 211 O VAL A 15 8.151 2.765 1.254 1.00 0.74 O ATOM 212 CB VAL A 15 11.048 2.570 -0.378 1.00 0.94 C ATOM 213 CG1 VAL A 15 11.473 2.760 1.087 1.00 1.10 C ATOM 214 CG2 VAL A 15 11.991 1.569 -1.055 1.00 1.09 C ATOM 0 H VAL A 15 9.944 1.980 -2.525 1.00 0.79 H new ATOM 0 HA VAL A 15 9.623 1.066 0.141 1.00 0.68 H new ATOM 0 HB VAL A 15 11.085 3.532 -0.890 1.00 0.94 H new ATOM 0 HG11 VAL A 15 12.483 3.168 1.123 1.00 1.10 H new ATOM 0 HG12 VAL A 15 10.786 3.449 1.579 1.00 1.10 H new ATOM 0 HG13 VAL A 15 11.452 1.798 1.600 1.00 1.10 H new ATOM 0 HG21 VAL A 15 13.010 1.957 -1.033 1.00 1.09 H new ATOM 0 HG22 VAL A 15 11.953 0.618 -0.524 1.00 1.09 H new ATOM 0 HG23 VAL A 15 11.682 1.420 -2.089 1.00 1.09 H new ATOM 224 N ARG A 16 8.346 4.019 -0.548 1.00 0.77 N ATOM 225 CA ARG A 16 7.378 5.042 -0.026 1.00 0.88 C ATOM 226 C ARG A 16 6.031 4.423 0.358 1.00 0.89 C ATOM 227 O ARG A 16 5.519 4.675 1.436 1.00 1.34 O ATOM 228 CB ARG A 16 7.185 6.146 -1.071 1.00 1.08 C ATOM 229 CG ARG A 16 8.395 7.098 -1.067 1.00 1.21 C ATOM 230 CD ARG A 16 8.255 8.141 0.061 1.00 1.85 C ATOM 231 NE ARG A 16 8.130 7.445 1.381 1.00 1.92 N ATOM 232 CZ ARG A 16 7.158 7.729 2.196 1.00 2.70 C ATOM 233 NH1 ARG A 16 5.930 7.621 1.782 1.00 3.71 N ATOM 234 NH2 ARG A 16 7.454 8.096 3.409 1.00 3.46 N ATOM 0 H ARG A 16 8.726 4.211 -1.475 1.00 0.77 H new ATOM 0 HA ARG A 16 7.800 5.468 0.884 1.00 0.88 H new ATOM 0 HB2 ARG A 16 7.064 5.704 -2.060 1.00 1.08 H new ATOM 0 HB3 ARG A 16 6.273 6.704 -0.857 1.00 1.08 H new ATOM 0 HG2 ARG A 16 9.314 6.528 -0.932 1.00 1.21 H new ATOM 0 HG3 ARG A 16 8.472 7.603 -2.030 1.00 1.21 H new ATOM 0 HD2 ARG A 16 9.122 8.801 0.068 1.00 1.85 H new ATOM 0 HD3 ARG A 16 7.380 8.766 -0.115 1.00 1.85 H new ATOM 0 HE ARG A 16 8.817 6.738 1.644 1.00 1.92 H new ATOM 0 HH11 ARG A 16 5.739 7.316 0.828 1.00 3.71 H new ATOM 0 HH12 ARG A 16 5.158 7.841 2.412 1.00 3.71 H new ATOM 0 HH21 ARG A 16 8.430 8.155 3.700 1.00 3.46 H new ATOM 0 HH22 ARG A 16 6.710 8.324 4.069 1.00 3.46 H new ATOM 248 N ALA A 17 5.454 3.681 -0.545 1.00 0.82 N ATOM 249 CA ALA A 17 4.160 3.009 -0.238 1.00 0.77 C ATOM 250 C ALA A 17 4.359 2.222 1.052 1.00 0.65 C ATOM 251 O ALA A 17 3.581 2.331 1.971 1.00 0.69 O ATOM 252 CB ALA A 17 3.796 2.061 -1.382 1.00 0.81 C ATOM 0 H ALA A 17 5.821 3.511 -1.481 1.00 0.82 H new ATOM 0 HA ALA A 17 3.354 3.734 -0.124 1.00 0.77 H new ATOM 0 HB1 ALA A 17 2.850 1.568 -1.159 1.00 0.81 H new ATOM 0 HB2 ALA A 17 3.701 2.628 -2.308 1.00 0.81 H new ATOM 0 HB3 ALA A 17 4.578 1.310 -1.495 1.00 0.81 H new ATOM 258 N LYS A 18 5.418 1.448 1.071 1.00 0.60 N ATOM 259 CA LYS A 18 5.732 0.651 2.286 1.00 0.60 C ATOM 260 C LYS A 18 5.788 1.580 3.500 1.00 0.63 C ATOM 261 O LYS A 18 5.111 1.339 4.460 1.00 0.74 O ATOM 262 CB LYS A 18 7.067 -0.069 2.045 1.00 0.67 C ATOM 263 CG LYS A 18 7.743 -0.475 3.364 1.00 1.04 C ATOM 264 CD LYS A 18 8.847 0.546 3.690 1.00 1.48 C ATOM 265 CE LYS A 18 9.596 0.128 4.949 1.00 1.92 C ATOM 266 NZ LYS A 18 8.654 0.053 6.098 1.00 1.84 N ATOM 0 H LYS A 18 6.073 1.338 0.297 1.00 0.60 H new ATOM 0 HA LYS A 18 4.963 -0.096 2.486 1.00 0.60 H new ATOM 0 HB2 LYS A 18 6.896 -0.957 1.436 1.00 0.67 H new ATOM 0 HB3 LYS A 18 7.734 0.582 1.480 1.00 0.67 H new ATOM 0 HG2 LYS A 18 7.009 -0.508 4.170 1.00 1.04 H new ATOM 0 HG3 LYS A 18 8.167 -1.475 3.278 1.00 1.04 H new ATOM 0 HD2 LYS A 18 9.541 0.621 2.853 1.00 1.48 H new ATOM 0 HD3 LYS A 18 8.409 1.534 3.830 1.00 1.48 H new ATOM 0 HE2 LYS A 18 10.072 -0.840 4.795 1.00 1.92 H new ATOM 0 HE3 LYS A 18 10.390 0.843 5.165 1.00 1.92 H new ATOM 0 HZ1 LYS A 18 9.187 0.123 6.989 1.00 1.84 H new ATOM 0 HZ2 LYS A 18 7.972 0.836 6.040 1.00 1.84 H new ATOM 0 HZ3 LYS A 18 8.144 -0.853 6.070 1.00 1.84 H new ATOM 280 N ASP A 19 6.593 2.597 3.443 1.00 0.61 N ATOM 281 CA ASP A 19 6.688 3.555 4.576 1.00 0.72 C ATOM 282 C ASP A 19 5.293 3.962 5.018 1.00 0.62 C ATOM 283 O ASP A 19 4.917 3.778 6.153 1.00 0.59 O ATOM 284 CB ASP A 19 7.434 4.818 4.121 1.00 0.94 C ATOM 285 CG ASP A 19 8.792 4.484 3.500 1.00 1.75 C ATOM 286 OD1 ASP A 19 9.412 3.559 3.986 1.00 2.64 O ATOM 287 OD2 ASP A 19 9.152 5.213 2.596 1.00 2.90 O ATOM 0 H ASP A 19 7.198 2.810 2.650 1.00 0.61 H new ATOM 0 HA ASP A 19 7.220 3.077 5.398 1.00 0.72 H new ATOM 0 HB2 ASP A 19 6.826 5.358 3.395 1.00 0.94 H new ATOM 0 HB3 ASP A 19 7.578 5.482 4.973 1.00 0.94 H new ATOM 292 N LEU A 20 4.551 4.483 4.085 1.00 0.61 N ATOM 293 CA LEU A 20 3.167 4.938 4.393 1.00 0.58 C ATOM 294 C LEU A 20 2.330 3.811 5.012 1.00 0.55 C ATOM 295 O LEU A 20 1.811 3.957 6.102 1.00 0.60 O ATOM 296 CB LEU A 20 2.517 5.431 3.088 1.00 0.60 C ATOM 297 CG LEU A 20 1.154 6.098 3.359 1.00 0.67 C ATOM 298 CD1 LEU A 20 1.301 7.255 4.362 1.00 0.92 C ATOM 299 CD2 LEU A 20 0.612 6.667 2.044 1.00 0.75 C ATOM 0 H LEU A 20 4.844 4.615 3.117 1.00 0.61 H new ATOM 0 HA LEU A 20 3.210 5.746 5.124 1.00 0.58 H new ATOM 0 HB2 LEU A 20 3.180 6.141 2.594 1.00 0.60 H new ATOM 0 HB3 LEU A 20 2.384 4.592 2.405 1.00 0.60 H new ATOM 0 HG LEU A 20 0.477 5.351 3.772 1.00 0.67 H new ATOM 0 HD11 LEU A 20 0.326 7.710 4.538 1.00 0.92 H new ATOM 0 HD12 LEU A 20 1.698 6.873 5.303 1.00 0.92 H new ATOM 0 HD13 LEU A 20 1.983 8.003 3.957 1.00 0.92 H new ATOM 0 HD21 LEU A 20 -0.353 7.142 2.223 1.00 0.75 H new ATOM 0 HD22 LEU A 20 1.312 7.404 1.651 1.00 0.75 H new ATOM 0 HD23 LEU A 20 0.491 5.860 1.321 1.00 0.75 H new ATOM 311 N ALA A 21 2.211 2.709 4.321 1.00 0.53 N ATOM 312 CA ALA A 21 1.394 1.582 4.869 1.00 0.56 C ATOM 313 C ALA A 21 1.911 1.201 6.247 1.00 0.58 C ATOM 314 O ALA A 21 1.167 1.208 7.219 1.00 0.65 O ATOM 315 CB ALA A 21 1.486 0.359 3.949 1.00 0.65 C ATOM 0 H ALA A 21 2.638 2.539 3.410 1.00 0.53 H new ATOM 0 HA ALA A 21 0.355 1.906 4.935 1.00 0.56 H new ATOM 0 HB1 ALA A 21 0.886 -0.452 4.361 1.00 0.65 H new ATOM 0 HB2 ALA A 21 1.112 0.620 2.959 1.00 0.65 H new ATOM 0 HB3 ALA A 21 2.525 0.039 3.872 1.00 0.65 H new ATOM 321 N GLU A 22 3.183 0.918 6.310 1.00 0.63 N ATOM 322 CA GLU A 22 3.777 0.525 7.604 1.00 0.75 C ATOM 323 C GLU A 22 3.319 1.515 8.667 1.00 0.73 C ATOM 324 O GLU A 22 2.866 1.120 9.724 1.00 0.78 O ATOM 325 CB GLU A 22 5.294 0.529 7.442 1.00 0.92 C ATOM 326 CG GLU A 22 5.947 -0.104 8.673 1.00 1.11 C ATOM 327 CD GLU A 22 7.299 -0.674 8.270 1.00 1.30 C ATOM 328 OE1 GLU A 22 7.268 -1.699 7.603 1.00 2.26 O ATOM 329 OE2 GLU A 22 8.285 -0.021 8.561 1.00 1.88 O ATOM 0 H GLU A 22 3.829 0.944 5.521 1.00 0.63 H new ATOM 0 HA GLU A 22 3.461 -0.471 7.912 1.00 0.75 H new ATOM 0 HB2 GLU A 22 5.575 -0.023 6.545 1.00 0.92 H new ATOM 0 HB3 GLU A 22 5.653 1.550 7.313 1.00 0.92 H new ATOM 0 HG2 GLU A 22 6.070 0.640 9.460 1.00 1.11 H new ATOM 0 HG3 GLU A 22 5.310 -0.891 9.076 1.00 1.11 H new ATOM 336 N LYS A 23 3.427 2.775 8.340 1.00 0.77 N ATOM 337 CA LYS A 23 2.993 3.833 9.293 1.00 0.86 C ATOM 338 C LYS A 23 1.554 3.585 9.750 1.00 0.76 C ATOM 339 O LYS A 23 1.342 3.321 10.913 1.00 0.95 O ATOM 340 CB LYS A 23 3.096 5.187 8.581 1.00 0.98 C ATOM 341 CG LYS A 23 3.129 6.339 9.603 1.00 1.19 C ATOM 342 CD LYS A 23 1.723 6.709 10.121 1.00 2.81 C ATOM 343 CE LYS A 23 0.896 7.391 9.014 1.00 3.92 C ATOM 344 NZ LYS A 23 -0.225 8.179 9.605 1.00 4.71 N ATOM 0 H LYS A 23 3.798 3.116 7.453 1.00 0.77 H new ATOM 0 HA LYS A 23 3.631 3.822 10.177 1.00 0.86 H new ATOM 0 HB2 LYS A 23 3.996 5.213 7.967 1.00 0.98 H new ATOM 0 HB3 LYS A 23 2.248 5.315 7.908 1.00 0.98 H new ATOM 0 HG2 LYS A 23 3.760 6.055 10.445 1.00 1.19 H new ATOM 0 HG3 LYS A 23 3.586 7.215 9.143 1.00 1.19 H new ATOM 0 HD2 LYS A 23 1.209 5.811 10.465 1.00 2.81 H new ATOM 0 HD3 LYS A 23 1.810 7.375 10.979 1.00 2.81 H new ATOM 0 HE2 LYS A 23 1.537 8.047 8.425 1.00 3.92 H new ATOM 0 HE3 LYS A 23 0.499 6.638 8.333 1.00 3.92 H new ATOM 0 HZ1 LYS A 23 -0.811 8.575 8.842 1.00 4.71 H new ATOM 0 HZ2 LYS A 23 -0.808 7.559 10.203 1.00 4.71 H new ATOM 0 HZ3 LYS A 23 0.161 8.953 10.183 1.00 4.71 H new ATOM 358 N LEU A 24 0.617 3.651 8.830 1.00 0.67 N ATOM 359 CA LEU A 24 -0.829 3.440 9.194 1.00 0.65 C ATOM 360 C LEU A 24 -1.023 2.344 10.236 1.00 0.64 C ATOM 361 O LEU A 24 -1.788 2.505 11.155 1.00 0.74 O ATOM 362 CB LEU A 24 -1.625 3.067 7.944 1.00 0.64 C ATOM 363 CG LEU A 24 -1.736 4.284 7.024 1.00 0.83 C ATOM 364 CD1 LEU A 24 -2.266 3.810 5.668 1.00 0.89 C ATOM 365 CD2 LEU A 24 -2.715 5.299 7.634 1.00 1.16 C ATOM 0 H LEU A 24 0.789 3.842 7.843 1.00 0.67 H new ATOM 0 HA LEU A 24 -1.184 4.377 9.623 1.00 0.65 H new ATOM 0 HB2 LEU A 24 -1.135 2.246 7.420 1.00 0.64 H new ATOM 0 HB3 LEU A 24 -2.619 2.718 8.224 1.00 0.64 H new ATOM 0 HG LEU A 24 -0.762 4.759 6.903 1.00 0.83 H new ATOM 0 HD11 LEU A 24 -2.354 4.662 4.994 1.00 0.89 H new ATOM 0 HD12 LEU A 24 -1.577 3.080 5.243 1.00 0.89 H new ATOM 0 HD13 LEU A 24 -3.245 3.350 5.801 1.00 0.89 H new ATOM 0 HD21 LEU A 24 -2.795 6.167 6.979 1.00 1.16 H new ATOM 0 HD22 LEU A 24 -3.696 4.837 7.745 1.00 1.16 H new ATOM 0 HD23 LEU A 24 -2.350 5.615 8.611 1.00 1.16 H new ATOM 377 N SER A 25 -0.381 1.241 10.019 1.00 0.62 N ATOM 378 CA SER A 25 -0.480 0.090 10.974 1.00 0.71 C ATOM 379 C SER A 25 -0.501 0.525 12.457 1.00 1.01 C ATOM 380 O SER A 25 -1.225 -0.039 13.248 1.00 1.27 O ATOM 381 CB SER A 25 0.723 -0.829 10.752 1.00 1.02 C ATOM 382 OG SER A 25 0.941 -0.787 9.348 1.00 1.35 O ATOM 0 H SER A 25 0.220 1.075 9.212 1.00 0.62 H new ATOM 0 HA SER A 25 -1.425 -0.415 10.774 1.00 0.71 H new ATOM 0 HB2 SER A 25 1.597 -0.480 11.301 1.00 1.02 H new ATOM 0 HB3 SER A 25 0.517 -1.844 11.093 1.00 1.02 H new ATOM 0 HG SER A 25 1.724 -0.230 9.155 1.00 1.35 H new ATOM 388 N ASN A 26 0.242 1.559 12.778 1.00 1.16 N ATOM 389 CA ASN A 26 0.337 2.028 14.205 1.00 1.50 C ATOM 390 C ASN A 26 -0.591 3.201 14.540 1.00 1.59 C ATOM 391 O ASN A 26 -0.442 3.827 15.577 1.00 1.94 O ATOM 392 CB ASN A 26 1.783 2.467 14.425 1.00 1.73 C ATOM 393 CG ASN A 26 2.682 1.247 14.303 1.00 1.65 C ATOM 394 OD1 ASN A 26 2.677 0.379 15.144 1.00 2.15 O ATOM 395 ND2 ASN A 26 3.437 1.120 13.256 1.00 2.42 N ATOM 0 H ASN A 26 0.790 2.103 12.112 1.00 1.16 H new ATOM 0 HA ASN A 26 0.029 1.208 14.853 1.00 1.50 H new ATOM 0 HB2 ASN A 26 2.066 3.221 13.690 1.00 1.73 H new ATOM 0 HB3 ASN A 26 1.895 2.923 15.409 1.00 1.73 H new ATOM 0 HD21 ASN A 26 4.022 0.291 13.146 1.00 2.42 H new ATOM 0 HD22 ASN A 26 3.446 1.849 12.542 1.00 2.42 H new ATOM 402 N GLU A 27 -1.503 3.470 13.658 1.00 1.69 N ATOM 403 CA GLU A 27 -2.472 4.583 13.867 1.00 1.94 C ATOM 404 C GLU A 27 -3.903 4.121 13.590 1.00 1.97 C ATOM 405 O GLU A 27 -4.846 4.642 14.156 1.00 2.46 O ATOM 406 CB GLU A 27 -2.136 5.724 12.903 1.00 2.01 C ATOM 407 CG GLU A 27 -1.172 6.715 13.565 1.00 2.61 C ATOM 408 CD GLU A 27 -0.795 7.814 12.568 1.00 2.61 C ATOM 409 OE1 GLU A 27 -1.690 8.259 11.866 1.00 3.22 O ATOM 410 OE2 GLU A 27 0.375 8.137 12.519 1.00 2.76 O ATOM 0 H GLU A 27 -1.624 2.959 12.784 1.00 1.69 H new ATOM 0 HA GLU A 27 -2.400 4.914 14.903 1.00 1.94 H new ATOM 0 HB2 GLU A 27 -1.687 5.321 11.995 1.00 2.01 H new ATOM 0 HB3 GLU A 27 -3.050 6.239 12.606 1.00 2.01 H new ATOM 0 HG2 GLU A 27 -1.637 7.155 14.447 1.00 2.61 H new ATOM 0 HG3 GLU A 27 -0.276 6.195 13.903 1.00 2.61 H new ATOM 417 N ARG A 28 -4.034 3.185 12.687 1.00 1.64 N ATOM 418 CA ARG A 28 -5.396 2.685 12.317 1.00 1.81 C ATOM 419 C ARG A 28 -5.761 1.373 13.017 1.00 1.79 C ATOM 420 O ARG A 28 -6.929 1.073 13.124 1.00 3.30 O ATOM 421 CB ARG A 28 -5.432 2.491 10.791 1.00 1.76 C ATOM 422 CG ARG A 28 -5.198 3.846 10.090 1.00 1.88 C ATOM 423 CD ARG A 28 -6.438 4.742 10.247 1.00 1.91 C ATOM 424 NE ARG A 28 -6.008 6.146 10.542 1.00 2.52 N ATOM 425 CZ ARG A 28 -6.466 6.741 11.597 1.00 3.05 C ATOM 426 NH1 ARG A 28 -6.174 6.230 12.735 1.00 3.79 N ATOM 427 NH2 ARG A 28 -7.207 7.803 11.456 1.00 3.92 N ATOM 0 H ARG A 28 -3.260 2.744 12.189 1.00 1.64 H new ATOM 0 HA ARG A 28 -6.131 3.421 12.643 1.00 1.81 H new ATOM 0 HB2 ARG A 28 -4.667 1.776 10.487 1.00 1.76 H new ATOM 0 HB3 ARG A 28 -6.394 2.076 10.490 1.00 1.76 H new ATOM 0 HG2 ARG A 28 -4.326 4.340 10.518 1.00 1.88 H new ATOM 0 HG3 ARG A 28 -4.987 3.686 9.033 1.00 1.88 H new ATOM 0 HD2 ARG A 28 -7.035 4.718 9.335 1.00 1.91 H new ATOM 0 HD3 ARG A 28 -7.070 4.368 11.052 1.00 1.91 H new ATOM 0 HE ARG A 28 -5.361 6.629 9.918 1.00 2.52 H new ATOM 0 HH11 ARG A 28 -5.602 5.387 12.784 1.00 3.79 H new ATOM 0 HH12 ARG A 28 -6.514 6.666 13.592 1.00 3.79 H new ATOM 0 HH21 ARG A 28 -7.420 8.156 10.523 1.00 3.92 H new ATOM 0 HH22 ARG A 28 -7.574 8.281 12.279 1.00 3.92 H new ATOM 441 N ASP A 29 -4.767 0.615 13.419 1.00 1.74 N ATOM 442 CA ASP A 29 -5.007 -0.694 14.130 1.00 1.97 C ATOM 443 C ASP A 29 -5.587 -1.734 13.163 1.00 1.60 C ATOM 444 O ASP A 29 -4.962 -2.742 12.888 1.00 2.12 O ATOM 445 CB ASP A 29 -5.943 -0.474 15.335 1.00 2.55 C ATOM 446 CG ASP A 29 -5.439 0.732 16.138 1.00 3.54 C ATOM 447 OD1 ASP A 29 -4.245 0.751 16.399 1.00 4.70 O ATOM 448 OD2 ASP A 29 -6.272 1.569 16.432 1.00 4.00 O ATOM 0 H ASP A 29 -3.783 0.847 13.285 1.00 1.74 H new ATOM 0 HA ASP A 29 -4.055 -1.077 14.499 1.00 1.97 H new ATOM 0 HB2 ASP A 29 -6.963 -0.300 14.994 1.00 2.55 H new ATOM 0 HB3 ASP A 29 -5.964 -1.364 15.964 1.00 2.55 H new ATOM 453 N ASP A 30 -6.749 -1.468 12.638 1.00 1.27 N ATOM 454 CA ASP A 30 -7.351 -2.429 11.674 1.00 1.14 C ATOM 455 C ASP A 30 -6.721 -2.138 10.305 1.00 1.00 C ATOM 456 O ASP A 30 -7.388 -1.866 9.329 1.00 1.66 O ATOM 457 CB ASP A 30 -8.879 -2.228 11.656 1.00 1.53 C ATOM 458 CG ASP A 30 -9.509 -3.017 10.508 1.00 2.52 C ATOM 459 OD1 ASP A 30 -9.209 -4.195 10.404 1.00 3.43 O ATOM 460 OD2 ASP A 30 -10.229 -2.393 9.754 1.00 3.21 O ATOM 0 H ASP A 30 -7.304 -0.635 12.832 1.00 1.27 H new ATOM 0 HA ASP A 30 -7.161 -3.467 11.949 1.00 1.14 H new ATOM 0 HB2 ASP A 30 -9.306 -2.552 12.605 1.00 1.53 H new ATOM 0 HB3 ASP A 30 -9.111 -1.169 11.548 1.00 1.53 H new ATOM 465 N PHE A 31 -5.419 -2.187 10.271 1.00 1.09 N ATOM 466 CA PHE A 31 -4.682 -1.910 9.009 1.00 0.87 C ATOM 467 C PHE A 31 -3.497 -2.864 8.877 1.00 0.79 C ATOM 468 O PHE A 31 -2.411 -2.584 9.355 1.00 0.82 O ATOM 469 CB PHE A 31 -4.176 -0.464 9.025 1.00 0.84 C ATOM 470 CG PHE A 31 -3.423 -0.183 7.719 1.00 0.74 C ATOM 471 CD1 PHE A 31 -4.113 0.155 6.571 1.00 0.86 C ATOM 472 CD2 PHE A 31 -2.052 -0.348 7.653 1.00 0.72 C ATOM 473 CE1 PHE A 31 -3.440 0.317 5.377 1.00 0.88 C ATOM 474 CE2 PHE A 31 -1.385 -0.188 6.463 1.00 0.76 C ATOM 475 CZ PHE A 31 -2.078 0.143 5.323 1.00 0.80 C ATOM 0 H PHE A 31 -4.829 -2.410 11.073 1.00 1.09 H new ATOM 0 HA PHE A 31 -5.352 -2.056 8.162 1.00 0.87 H new ATOM 0 HB2 PHE A 31 -5.013 0.226 9.133 1.00 0.84 H new ATOM 0 HB3 PHE A 31 -3.519 -0.305 9.880 1.00 0.84 H new ATOM 0 HD1 PHE A 31 -5.184 0.293 6.608 1.00 0.86 H new ATOM 0 HD2 PHE A 31 -1.500 -0.605 8.545 1.00 0.72 H new ATOM 0 HE1 PHE A 31 -3.985 0.581 4.483 1.00 0.88 H new ATOM 0 HE2 PHE A 31 -0.314 -0.322 6.423 1.00 0.76 H new ATOM 0 HZ PHE A 31 -1.553 0.266 4.387 1.00 0.80 H new ATOM 485 N GLN A 32 -3.716 -3.965 8.233 1.00 0.90 N ATOM 486 CA GLN A 32 -2.601 -4.936 8.056 1.00 0.86 C ATOM 487 C GLN A 32 -2.222 -4.915 6.578 1.00 0.86 C ATOM 488 O GLN A 32 -3.079 -5.047 5.729 1.00 1.55 O ATOM 489 CB GLN A 32 -3.079 -6.333 8.482 1.00 1.08 C ATOM 490 CG GLN A 32 -3.590 -6.286 9.938 1.00 1.29 C ATOM 491 CD GLN A 32 -2.408 -6.241 10.920 1.00 3.01 C ATOM 492 OE1 GLN A 32 -1.512 -5.433 10.810 1.00 4.52 O ATOM 493 NE2 GLN A 32 -2.362 -7.100 11.893 1.00 3.77 N ATOM 0 H GLN A 32 -4.609 -4.239 7.822 1.00 0.90 H new ATOM 0 HA GLN A 32 -1.736 -4.677 8.666 1.00 0.86 H new ATOM 0 HB2 GLN A 32 -3.873 -6.674 7.818 1.00 1.08 H new ATOM 0 HB3 GLN A 32 -2.262 -7.049 8.396 1.00 1.08 H new ATOM 0 HG2 GLN A 32 -4.222 -5.410 10.080 1.00 1.29 H new ATOM 0 HG3 GLN A 32 -4.207 -7.161 10.142 1.00 1.29 H new ATOM 0 HE21 GLN A 32 -3.107 -7.788 12.002 1.00 3.77 H new ATOM 0 HE22 GLN A 32 -1.581 -7.087 12.548 1.00 3.77 H new ATOM 502 N TYR A 33 -0.965 -4.737 6.279 1.00 0.54 N ATOM 503 CA TYR A 33 -0.558 -4.698 4.840 1.00 0.46 C ATOM 504 C TYR A 33 0.273 -5.935 4.481 1.00 0.54 C ATOM 505 O TYR A 33 0.778 -6.619 5.348 1.00 0.68 O ATOM 506 CB TYR A 33 0.260 -3.420 4.567 1.00 0.57 C ATOM 507 CG TYR A 33 1.511 -3.359 5.450 1.00 0.55 C ATOM 508 CD1 TYR A 33 1.441 -2.886 6.749 1.00 0.57 C ATOM 509 CD2 TYR A 33 2.732 -3.779 4.955 1.00 0.92 C ATOM 510 CE1 TYR A 33 2.570 -2.842 7.533 1.00 0.84 C ATOM 511 CE2 TYR A 33 3.863 -3.727 5.745 1.00 1.11 C ATOM 512 CZ TYR A 33 3.788 -3.264 7.040 1.00 1.04 C ATOM 513 OH TYR A 33 4.900 -3.292 7.866 1.00 1.41 O ATOM 0 H TYR A 33 -0.210 -4.618 6.954 1.00 0.54 H new ATOM 0 HA TYR A 33 -1.456 -4.693 4.222 1.00 0.46 H new ATOM 0 HB2 TYR A 33 0.552 -3.390 3.517 1.00 0.57 H new ATOM 0 HB3 TYR A 33 -0.360 -2.543 4.751 1.00 0.57 H new ATOM 0 HD1 TYR A 33 0.496 -2.550 7.149 1.00 0.57 H new ATOM 0 HD2 TYR A 33 2.801 -4.150 3.943 1.00 0.92 H new ATOM 0 HE1 TYR A 33 2.503 -2.473 8.546 1.00 0.84 H new ATOM 0 HE2 TYR A 33 4.812 -4.051 5.345 1.00 1.11 H new ATOM 0 HH TYR A 33 5.556 -2.634 7.554 1.00 1.41 H new ATOM 523 N GLN A 34 0.353 -6.221 3.212 1.00 0.57 N ATOM 524 CA GLN A 34 1.161 -7.383 2.742 1.00 0.75 C ATOM 525 C GLN A 34 2.170 -6.856 1.732 1.00 0.67 C ATOM 526 O GLN A 34 1.871 -5.949 0.967 1.00 0.55 O ATOM 527 CB GLN A 34 0.248 -8.432 2.074 1.00 0.87 C ATOM 528 CG GLN A 34 1.081 -9.489 1.305 1.00 1.27 C ATOM 529 CD GLN A 34 2.001 -10.258 2.266 1.00 1.79 C ATOM 530 OE1 GLN A 34 1.592 -10.669 3.324 1.00 2.73 O ATOM 531 NE2 GLN A 34 3.243 -10.495 1.942 1.00 2.84 N ATOM 0 H GLN A 34 -0.111 -5.695 2.472 1.00 0.57 H new ATOM 0 HA GLN A 34 1.666 -7.861 3.581 1.00 0.75 H new ATOM 0 HB2 GLN A 34 -0.360 -8.925 2.833 1.00 0.87 H new ATOM 0 HB3 GLN A 34 -0.439 -7.936 1.388 1.00 0.87 H new ATOM 0 HG2 GLN A 34 0.414 -10.185 0.796 1.00 1.27 H new ATOM 0 HG3 GLN A 34 1.678 -9.000 0.535 1.00 1.27 H new ATOM 0 HE21 GLN A 34 3.611 -10.158 1.053 1.00 2.84 H new ATOM 0 HE22 GLN A 34 3.845 -11.018 2.578 1.00 2.84 H new ATOM 540 N TYR A 35 3.320 -7.461 1.710 1.00 0.88 N ATOM 541 CA TYR A 35 4.356 -7.000 0.756 1.00 0.91 C ATOM 542 C TYR A 35 4.388 -7.968 -0.425 1.00 0.80 C ATOM 543 O TYR A 35 4.360 -9.170 -0.238 1.00 0.95 O ATOM 544 CB TYR A 35 5.713 -6.981 1.478 1.00 1.31 C ATOM 545 CG TYR A 35 6.727 -6.156 0.670 1.00 1.33 C ATOM 546 CD1 TYR A 35 7.150 -6.590 -0.570 1.00 1.10 C ATOM 547 CD2 TYR A 35 7.229 -4.963 1.165 1.00 2.02 C ATOM 548 CE1 TYR A 35 8.052 -5.854 -1.304 1.00 1.18 C ATOM 549 CE2 TYR A 35 8.139 -4.227 0.426 1.00 2.30 C ATOM 550 CZ TYR A 35 8.556 -4.673 -0.814 1.00 1.78 C ATOM 551 OH TYR A 35 9.485 -3.968 -1.543 1.00 2.15 O ATOM 0 H TYR A 35 3.585 -8.246 2.305 1.00 0.88 H new ATOM 0 HA TYR A 35 4.136 -5.997 0.390 1.00 0.91 H new ATOM 0 HB2 TYR A 35 5.598 -6.556 2.475 1.00 1.31 H new ATOM 0 HB3 TYR A 35 6.080 -7.999 1.606 1.00 1.31 H new ATOM 0 HD1 TYR A 35 6.769 -7.518 -0.969 1.00 1.10 H new ATOM 0 HD2 TYR A 35 6.909 -4.606 2.132 1.00 2.02 H new ATOM 0 HE1 TYR A 35 8.367 -6.208 -2.275 1.00 1.18 H new ATOM 0 HE2 TYR A 35 8.525 -3.299 0.821 1.00 2.30 H new ATOM 0 HH TYR A 35 9.577 -3.066 -1.171 1.00 2.15 H new ATOM 561 N VAL A 36 4.379 -7.416 -1.606 1.00 0.65 N ATOM 562 CA VAL A 36 4.428 -8.237 -2.845 1.00 0.56 C ATOM 563 C VAL A 36 5.527 -7.642 -3.747 1.00 0.52 C ATOM 564 O VAL A 36 5.599 -6.434 -3.887 1.00 0.62 O ATOM 565 CB VAL A 36 3.014 -8.179 -3.472 1.00 0.49 C ATOM 566 CG1 VAL A 36 3.071 -8.295 -5.002 1.00 0.45 C ATOM 567 CG2 VAL A 36 2.196 -9.360 -2.929 1.00 0.57 C ATOM 0 H VAL A 36 4.339 -6.409 -1.766 1.00 0.65 H new ATOM 0 HA VAL A 36 4.679 -9.284 -2.676 1.00 0.56 H new ATOM 0 HB VAL A 36 2.560 -7.222 -3.214 1.00 0.49 H new ATOM 0 HG11 VAL A 36 2.060 -8.251 -5.408 1.00 0.45 H new ATOM 0 HG12 VAL A 36 3.662 -7.473 -5.407 1.00 0.45 H new ATOM 0 HG13 VAL A 36 3.532 -9.244 -5.278 1.00 0.45 H new ATOM 0 HG21 VAL A 36 1.195 -9.337 -3.359 1.00 0.57 H new ATOM 0 HG22 VAL A 36 2.686 -10.296 -3.198 1.00 0.57 H new ATOM 0 HG23 VAL A 36 2.126 -9.286 -1.844 1.00 0.57 H new ATOM 577 N ASP A 37 6.353 -8.498 -4.319 1.00 0.47 N ATOM 578 CA ASP A 37 7.484 -8.038 -5.203 1.00 0.52 C ATOM 579 C ASP A 37 7.197 -8.426 -6.667 1.00 0.55 C ATOM 580 O ASP A 37 7.210 -9.596 -7.051 1.00 0.88 O ATOM 581 CB ASP A 37 8.790 -8.700 -4.718 1.00 0.60 C ATOM 582 CG ASP A 37 10.012 -8.196 -5.505 1.00 0.81 C ATOM 583 OD1 ASP A 37 9.853 -7.944 -6.689 1.00 1.56 O ATOM 584 OD2 ASP A 37 11.063 -8.105 -4.889 1.00 1.73 O ATOM 0 H ASP A 37 6.290 -9.510 -4.209 1.00 0.47 H new ATOM 0 HA ASP A 37 7.583 -6.954 -5.149 1.00 0.52 H new ATOM 0 HB2 ASP A 37 8.930 -8.493 -3.657 1.00 0.60 H new ATOM 0 HB3 ASP A 37 8.710 -9.782 -4.824 1.00 0.60 H new ATOM 589 N ILE A 38 6.957 -7.411 -7.454 1.00 0.69 N ATOM 590 CA ILE A 38 6.644 -7.601 -8.906 1.00 0.93 C ATOM 591 C ILE A 38 7.622 -8.534 -9.641 1.00 1.14 C ATOM 592 O ILE A 38 7.217 -9.258 -10.546 1.00 1.38 O ATOM 593 CB ILE A 38 6.635 -6.224 -9.588 1.00 1.23 C ATOM 594 CG1 ILE A 38 7.890 -5.447 -9.183 1.00 1.58 C ATOM 595 CG2 ILE A 38 5.390 -5.449 -9.135 1.00 1.13 C ATOM 596 CD1 ILE A 38 8.108 -4.267 -10.139 1.00 2.04 C ATOM 0 H ILE A 38 6.964 -6.438 -7.148 1.00 0.69 H new ATOM 0 HA ILE A 38 5.669 -8.085 -8.962 1.00 0.93 H new ATOM 0 HB ILE A 38 6.619 -6.350 -10.671 1.00 1.23 H new ATOM 0 HG12 ILE A 38 7.788 -5.083 -8.161 1.00 1.58 H new ATOM 0 HG13 ILE A 38 8.758 -6.106 -9.202 1.00 1.58 H new ATOM 0 HG21 ILE A 38 5.376 -4.470 -9.615 1.00 1.13 H new ATOM 0 HG22 ILE A 38 4.494 -6.003 -9.415 1.00 1.13 H new ATOM 0 HG23 ILE A 38 5.414 -5.322 -8.053 1.00 1.13 H new ATOM 0 HD11 ILE A 38 9.003 -3.720 -9.843 1.00 2.04 H new ATOM 0 HD12 ILE A 38 8.230 -4.640 -11.156 1.00 2.04 H new ATOM 0 HD13 ILE A 38 7.246 -3.601 -10.098 1.00 2.04 H new ATOM 608 N ARG A 39 8.865 -8.538 -9.230 1.00 1.15 N ATOM 609 CA ARG A 39 9.874 -9.395 -9.928 1.00 1.47 C ATOM 610 C ARG A 39 10.164 -10.673 -9.149 1.00 1.59 C ATOM 611 O ARG A 39 11.180 -11.298 -9.369 1.00 2.28 O ATOM 612 CB ARG A 39 11.179 -8.599 -10.091 1.00 1.88 C ATOM 613 CG ARG A 39 10.946 -7.378 -10.994 1.00 3.64 C ATOM 614 CD ARG A 39 11.159 -7.741 -12.470 1.00 4.93 C ATOM 615 NE ARG A 39 10.359 -8.954 -12.826 1.00 6.05 N ATOM 616 CZ ARG A 39 9.302 -8.827 -13.575 1.00 7.70 C ATOM 617 NH1 ARG A 39 9.449 -8.452 -14.812 1.00 9.02 N ATOM 618 NH2 ARG A 39 8.140 -9.079 -13.068 1.00 8.32 N ATOM 0 H ARG A 39 9.224 -7.990 -8.448 1.00 1.15 H new ATOM 0 HA ARG A 39 9.467 -9.676 -10.899 1.00 1.47 H new ATOM 0 HB2 ARG A 39 11.540 -8.275 -9.115 1.00 1.88 H new ATOM 0 HB3 ARG A 39 11.951 -9.237 -10.521 1.00 1.88 H new ATOM 0 HG2 ARG A 39 9.933 -7.002 -10.850 1.00 3.64 H new ATOM 0 HG3 ARG A 39 11.627 -6.576 -10.711 1.00 3.64 H new ATOM 0 HD2 ARG A 39 10.865 -6.904 -13.104 1.00 4.93 H new ATOM 0 HD3 ARG A 39 12.217 -7.927 -12.657 1.00 4.93 H new ATOM 0 HE ARG A 39 10.640 -9.873 -12.485 1.00 6.05 H new ATOM 0 HH11 ARG A 39 10.381 -8.263 -15.180 1.00 9.02 H new ATOM 0 HH12 ARG A 39 8.632 -8.347 -15.414 1.00 9.02 H new ATOM 0 HH21 ARG A 39 8.061 -9.373 -12.094 1.00 8.32 H new ATOM 0 HH22 ARG A 39 7.302 -8.984 -13.642 1.00 8.32 H new ATOM 632 N ALA A 40 9.276 -11.026 -8.268 1.00 1.32 N ATOM 633 CA ALA A 40 9.463 -12.270 -7.475 1.00 1.51 C ATOM 634 C ALA A 40 8.251 -13.154 -7.711 1.00 1.38 C ATOM 635 O ALA A 40 8.368 -14.350 -7.913 1.00 1.60 O ATOM 636 CB ALA A 40 9.541 -11.920 -5.993 1.00 1.59 C ATOM 0 H ALA A 40 8.424 -10.505 -8.061 1.00 1.32 H new ATOM 0 HA ALA A 40 10.380 -12.779 -7.773 1.00 1.51 H new ATOM 0 HB1 ALA A 40 9.678 -12.831 -5.411 1.00 1.59 H new ATOM 0 HB2 ALA A 40 10.383 -11.250 -5.821 1.00 1.59 H new ATOM 0 HB3 ALA A 40 8.618 -11.429 -5.686 1.00 1.59 H new ATOM 642 N GLU A 41 7.119 -12.502 -7.676 1.00 1.11 N ATOM 643 CA GLU A 41 5.821 -13.200 -7.875 1.00 1.12 C ATOM 644 C GLU A 41 5.627 -13.559 -9.355 1.00 1.10 C ATOM 645 O GLU A 41 5.220 -14.658 -9.674 1.00 1.33 O ATOM 646 CB GLU A 41 4.719 -12.250 -7.397 1.00 1.14 C ATOM 647 CG GLU A 41 3.516 -13.048 -6.897 1.00 1.65 C ATOM 648 CD GLU A 41 2.482 -12.067 -6.346 1.00 1.86 C ATOM 649 OE1 GLU A 41 1.964 -11.321 -7.163 1.00 2.87 O ATOM 650 OE2 GLU A 41 2.277 -12.109 -5.144 1.00 2.45 O ATOM 0 H GLU A 41 7.041 -11.498 -7.515 1.00 1.11 H new ATOM 0 HA GLU A 41 5.792 -14.132 -7.311 1.00 1.12 H new ATOM 0 HB2 GLU A 41 5.099 -11.612 -6.599 1.00 1.14 H new ATOM 0 HB3 GLU A 41 4.416 -11.593 -8.212 1.00 1.14 H new ATOM 0 HG2 GLU A 41 3.087 -13.635 -7.709 1.00 1.65 H new ATOM 0 HG3 GLU A 41 3.823 -13.751 -6.122 1.00 1.65 H new ATOM 657 N GLY A 42 5.908 -12.619 -10.229 1.00 1.13 N ATOM 658 CA GLY A 42 5.763 -12.899 -11.696 1.00 1.33 C ATOM 659 C GLY A 42 4.697 -12.022 -12.363 1.00 1.38 C ATOM 660 O GLY A 42 3.722 -12.523 -12.868 1.00 1.68 O ATOM 0 H GLY A 42 6.228 -11.680 -9.994 1.00 1.13 H new ATOM 0 HA2 GLY A 42 6.721 -12.737 -12.189 1.00 1.33 H new ATOM 0 HA3 GLY A 42 5.505 -13.948 -11.838 1.00 1.33 H new ATOM 664 N ILE A 43 4.909 -10.734 -12.375 1.00 1.28 N ATOM 665 CA ILE A 43 3.913 -9.824 -13.018 1.00 1.35 C ATOM 666 C ILE A 43 4.529 -9.212 -14.286 1.00 1.51 C ATOM 667 O ILE A 43 5.729 -8.977 -14.324 1.00 1.60 O ATOM 668 CB ILE A 43 3.557 -8.736 -11.992 1.00 1.31 C ATOM 669 CG1 ILE A 43 2.937 -9.433 -10.766 1.00 1.40 C ATOM 670 CG2 ILE A 43 2.550 -7.750 -12.594 1.00 1.48 C ATOM 671 CD1 ILE A 43 2.506 -8.409 -9.713 1.00 1.78 C ATOM 0 H ILE A 43 5.724 -10.273 -11.970 1.00 1.28 H new ATOM 0 HA ILE A 43 3.011 -10.361 -13.312 1.00 1.35 H new ATOM 0 HB ILE A 43 4.449 -8.179 -11.707 1.00 1.31 H new ATOM 0 HG12 ILE A 43 2.076 -10.025 -11.076 1.00 1.40 H new ATOM 0 HG13 ILE A 43 3.660 -10.124 -10.332 1.00 1.40 H new ATOM 0 HG21 ILE A 43 2.306 -6.984 -11.858 1.00 1.48 H new ATOM 0 HG22 ILE A 43 2.984 -7.280 -13.476 1.00 1.48 H new ATOM 0 HG23 ILE A 43 1.643 -8.284 -12.877 1.00 1.48 H new ATOM 0 HD11 ILE A 43 2.072 -8.927 -8.858 1.00 1.78 H new ATOM 0 HD12 ILE A 43 3.373 -7.835 -9.387 1.00 1.78 H new ATOM 0 HD13 ILE A 43 1.766 -7.735 -10.143 1.00 1.78 H new ATOM 683 N THR A 44 3.711 -8.995 -15.293 1.00 1.68 N ATOM 684 CA THR A 44 4.232 -8.398 -16.564 1.00 1.99 C ATOM 685 C THR A 44 3.570 -7.030 -16.820 1.00 2.19 C ATOM 686 O THR A 44 4.017 -6.029 -16.289 1.00 2.46 O ATOM 687 CB THR A 44 3.963 -9.396 -17.707 1.00 2.19 C ATOM 688 OG1 THR A 44 2.554 -9.596 -17.774 1.00 2.32 O ATOM 689 CG2 THR A 44 4.535 -10.767 -17.347 1.00 2.19 C ATOM 0 H THR A 44 2.713 -9.204 -15.288 1.00 1.68 H new ATOM 0 HA THR A 44 5.305 -8.219 -16.497 1.00 1.99 H new ATOM 0 HB THR A 44 4.399 -9.010 -18.628 1.00 2.19 H new ATOM 0 HG1 THR A 44 2.243 -10.015 -16.944 1.00 2.32 H new ATOM 0 HG21 THR A 44 4.341 -11.467 -18.160 1.00 2.19 H new ATOM 0 HG22 THR A 44 5.610 -10.683 -17.190 1.00 2.19 H new ATOM 0 HG23 THR A 44 4.062 -11.130 -16.435 1.00 2.19 H new ATOM 697 N LYS A 45 2.557 -7.011 -17.634 1.00 3.04 N ATOM 698 CA LYS A 45 1.820 -5.741 -17.925 1.00 3.30 C ATOM 699 C LYS A 45 0.347 -6.107 -17.915 1.00 3.31 C ATOM 700 O LYS A 45 -0.458 -5.484 -17.254 1.00 3.42 O ATOM 701 CB LYS A 45 2.180 -5.173 -19.312 1.00 4.19 C ATOM 702 CG LYS A 45 3.692 -5.273 -19.568 1.00 4.39 C ATOM 703 CD LYS A 45 4.029 -6.598 -20.274 1.00 6.12 C ATOM 704 CE LYS A 45 3.971 -6.420 -21.801 1.00 7.04 C ATOM 705 NZ LYS A 45 2.567 -6.342 -22.308 1.00 7.80 N ATOM 0 H LYS A 45 2.198 -7.832 -18.121 1.00 3.04 H new ATOM 0 HA LYS A 45 2.078 -4.981 -17.188 1.00 3.30 H new ATOM 0 HB2 LYS A 45 1.639 -5.719 -20.085 1.00 4.19 H new ATOM 0 HB3 LYS A 45 1.864 -4.132 -19.377 1.00 4.19 H new ATOM 0 HG2 LYS A 45 4.020 -4.433 -20.181 1.00 4.39 H new ATOM 0 HG3 LYS A 45 4.232 -5.209 -18.624 1.00 4.39 H new ATOM 0 HD2 LYS A 45 5.023 -6.933 -19.978 1.00 6.12 H new ATOM 0 HD3 LYS A 45 3.326 -7.372 -19.964 1.00 6.12 H new ATOM 0 HE2 LYS A 45 4.507 -5.513 -22.080 1.00 7.04 H new ATOM 0 HE3 LYS A 45 4.483 -7.253 -22.282 1.00 7.04 H new ATOM 0 HZ1 LYS A 45 2.522 -6.738 -23.268 1.00 7.80 H new ATOM 0 HZ2 LYS A 45 1.940 -6.885 -21.680 1.00 7.80 H new ATOM 0 HZ3 LYS A 45 2.260 -5.349 -22.329 1.00 7.80 H new ATOM 719 N GLU A 46 0.057 -7.138 -18.665 1.00 3.44 N ATOM 720 CA GLU A 46 -1.335 -7.653 -18.766 1.00 3.69 C ATOM 721 C GLU A 46 -1.889 -7.870 -17.350 1.00 3.16 C ATOM 722 O GLU A 46 -2.981 -7.433 -17.046 1.00 3.32 O ATOM 723 CB GLU A 46 -1.309 -8.968 -19.571 1.00 4.07 C ATOM 724 CG GLU A 46 -1.058 -8.683 -21.078 1.00 4.74 C ATOM 725 CD GLU A 46 0.169 -7.783 -21.281 1.00 4.34 C ATOM 726 OE1 GLU A 46 1.255 -8.240 -20.970 1.00 4.33 O ATOM 727 OE2 GLU A 46 -0.028 -6.659 -21.704 1.00 4.81 O ATOM 0 H GLU A 46 0.741 -7.652 -19.221 1.00 3.44 H new ATOM 0 HA GLU A 46 -1.984 -6.943 -19.279 1.00 3.69 H new ATOM 0 HB2 GLU A 46 -0.527 -9.622 -19.184 1.00 4.07 H new ATOM 0 HB3 GLU A 46 -2.255 -9.495 -19.448 1.00 4.07 H new ATOM 0 HG2 GLU A 46 -0.913 -9.624 -21.609 1.00 4.74 H new ATOM 0 HG3 GLU A 46 -1.937 -8.205 -21.511 1.00 4.74 H new ATOM 734 N ASP A 47 -1.129 -8.563 -16.526 1.00 2.64 N ATOM 735 CA ASP A 47 -1.559 -8.806 -15.110 1.00 2.32 C ATOM 736 C ASP A 47 -2.057 -7.502 -14.504 1.00 2.03 C ATOM 737 O ASP A 47 -3.205 -7.354 -14.151 1.00 2.14 O ATOM 738 CB ASP A 47 -0.359 -9.253 -14.273 1.00 1.88 C ATOM 739 CG ASP A 47 0.223 -10.540 -14.822 1.00 2.42 C ATOM 740 OD1 ASP A 47 -0.370 -11.570 -14.562 1.00 3.17 O ATOM 741 OD2 ASP A 47 1.241 -10.405 -15.474 1.00 3.59 O ATOM 0 H ASP A 47 -0.228 -8.970 -16.777 1.00 2.64 H new ATOM 0 HA ASP A 47 -2.339 -9.568 -15.111 1.00 2.32 H new ATOM 0 HB2 ASP A 47 0.403 -8.473 -14.274 1.00 1.88 H new ATOM 0 HB3 ASP A 47 -0.665 -9.399 -13.237 1.00 1.88 H new ATOM 746 N LEU A 48 -1.141 -6.578 -14.395 1.00 1.75 N ATOM 747 CA LEU A 48 -1.482 -5.255 -13.812 1.00 1.66 C ATOM 748 C LEU A 48 -2.733 -4.693 -14.485 1.00 2.01 C ATOM 749 O LEU A 48 -3.661 -4.315 -13.819 1.00 2.04 O ATOM 750 CB LEU A 48 -0.301 -4.299 -14.017 1.00 1.87 C ATOM 751 CG LEU A 48 0.876 -4.696 -13.113 1.00 1.68 C ATOM 752 CD1 LEU A 48 2.110 -3.890 -13.523 1.00 2.25 C ATOM 753 CD2 LEU A 48 0.550 -4.381 -11.642 1.00 1.62 C ATOM 0 H LEU A 48 -0.169 -6.686 -14.686 1.00 1.75 H new ATOM 0 HA LEU A 48 -1.681 -5.366 -12.746 1.00 1.66 H new ATOM 0 HB2 LEU A 48 0.012 -4.317 -15.061 1.00 1.87 H new ATOM 0 HB3 LEU A 48 -0.610 -3.278 -13.795 1.00 1.87 H new ATOM 0 HG LEU A 48 1.061 -5.765 -13.220 1.00 1.68 H new ATOM 0 HD11 LEU A 48 2.952 -4.164 -12.887 1.00 2.25 H new ATOM 0 HD12 LEU A 48 2.356 -4.105 -14.563 1.00 2.25 H new ATOM 0 HD13 LEU A 48 1.903 -2.826 -13.412 1.00 2.25 H new ATOM 0 HD21 LEU A 48 1.393 -4.668 -11.013 1.00 1.62 H new ATOM 0 HD22 LEU A 48 0.361 -3.313 -11.532 1.00 1.62 H new ATOM 0 HD23 LEU A 48 -0.336 -4.939 -11.338 1.00 1.62 H new ATOM 765 N GLN A 49 -2.759 -4.658 -15.786 1.00 2.39 N ATOM 766 CA GLN A 49 -3.981 -4.108 -16.454 1.00 2.84 C ATOM 767 C GLN A 49 -5.239 -4.868 -16.000 1.00 2.83 C ATOM 768 O GLN A 49 -6.281 -4.277 -15.822 1.00 2.97 O ATOM 769 CB GLN A 49 -3.833 -4.198 -17.979 1.00 3.30 C ATOM 770 CG GLN A 49 -2.859 -3.106 -18.461 1.00 3.01 C ATOM 771 CD GLN A 49 -2.794 -3.091 -19.988 1.00 3.63 C ATOM 772 OE1 GLN A 49 -2.854 -2.051 -20.600 1.00 3.95 O ATOM 773 NE2 GLN A 49 -2.660 -4.200 -20.647 1.00 4.66 N ATOM 0 H GLN A 49 -2.013 -4.975 -16.406 1.00 2.39 H new ATOM 0 HA GLN A 49 -4.089 -3.062 -16.167 1.00 2.84 H new ATOM 0 HB2 GLN A 49 -3.462 -5.183 -18.262 1.00 3.30 H new ATOM 0 HB3 GLN A 49 -4.804 -4.073 -18.458 1.00 3.30 H new ATOM 0 HG2 GLN A 49 -3.183 -2.132 -18.094 1.00 3.01 H new ATOM 0 HG3 GLN A 49 -1.866 -3.287 -18.050 1.00 3.01 H new ATOM 0 HE21 GLN A 49 -2.608 -5.087 -20.147 1.00 4.66 H new ATOM 0 HE22 GLN A 49 -2.607 -4.185 -21.666 1.00 4.66 H new ATOM 782 N GLN A 50 -5.100 -6.144 -15.801 1.00 2.79 N ATOM 783 CA GLN A 50 -6.263 -6.977 -15.365 1.00 2.98 C ATOM 784 C GLN A 50 -6.597 -6.770 -13.875 1.00 2.69 C ATOM 785 O GLN A 50 -7.744 -6.738 -13.486 1.00 2.93 O ATOM 786 CB GLN A 50 -5.884 -8.446 -15.586 1.00 3.14 C ATOM 787 CG GLN A 50 -7.087 -9.364 -15.337 1.00 4.68 C ATOM 788 CD GLN A 50 -6.574 -10.786 -15.120 1.00 5.57 C ATOM 789 OE1 GLN A 50 -6.302 -11.515 -16.050 1.00 5.82 O ATOM 790 NE2 GLN A 50 -6.392 -11.202 -13.902 1.00 6.68 N ATOM 0 H GLN A 50 -4.226 -6.656 -15.921 1.00 2.79 H new ATOM 0 HA GLN A 50 -7.141 -6.687 -15.942 1.00 2.98 H new ATOM 0 HB2 GLN A 50 -5.521 -8.583 -16.605 1.00 3.14 H new ATOM 0 HB3 GLN A 50 -5.068 -8.720 -14.918 1.00 3.14 H new ATOM 0 HG2 GLN A 50 -7.647 -9.026 -14.465 1.00 4.68 H new ATOM 0 HG3 GLN A 50 -7.770 -9.333 -16.186 1.00 4.68 H new ATOM 0 HE21 GLN A 50 -6.619 -10.593 -13.116 1.00 6.68 H new ATOM 0 HE22 GLN A 50 -6.022 -12.137 -13.732 1.00 6.68 H new ATOM 799 N LYS A 51 -5.579 -6.654 -13.078 1.00 2.24 N ATOM 800 CA LYS A 51 -5.771 -6.492 -11.595 1.00 2.06 C ATOM 801 C LYS A 51 -5.952 -5.039 -11.129 1.00 1.81 C ATOM 802 O LYS A 51 -6.541 -4.800 -10.085 1.00 1.84 O ATOM 803 CB LYS A 51 -4.517 -7.049 -10.892 1.00 1.99 C ATOM 804 CG LYS A 51 -4.907 -8.124 -9.862 1.00 2.80 C ATOM 805 CD LYS A 51 -4.089 -7.953 -8.566 1.00 2.82 C ATOM 806 CE LYS A 51 -4.505 -6.682 -7.805 1.00 3.66 C ATOM 807 NZ LYS A 51 -5.992 -6.559 -7.705 1.00 4.77 N ATOM 0 H LYS A 51 -4.606 -6.663 -13.384 1.00 2.24 H new ATOM 0 HA LYS A 51 -6.689 -7.023 -11.342 1.00 2.06 H new ATOM 0 HB2 LYS A 51 -3.838 -7.475 -11.631 1.00 1.99 H new ATOM 0 HB3 LYS A 51 -3.982 -6.239 -10.396 1.00 1.99 H new ATOM 0 HG2 LYS A 51 -5.972 -8.053 -9.639 1.00 2.80 H new ATOM 0 HG3 LYS A 51 -4.734 -9.116 -10.280 1.00 2.80 H new ATOM 0 HD2 LYS A 51 -4.230 -8.825 -7.927 1.00 2.82 H new ATOM 0 HD3 LYS A 51 -3.027 -7.904 -8.808 1.00 2.82 H new ATOM 0 HE2 LYS A 51 -4.073 -6.699 -6.804 1.00 3.66 H new ATOM 0 HE3 LYS A 51 -4.101 -5.806 -8.312 1.00 3.66 H new ATOM 0 HZ1 LYS A 51 -6.239 -5.611 -7.356 1.00 4.77 H new ATOM 0 HZ2 LYS A 51 -6.416 -6.704 -8.643 1.00 4.77 H new ATOM 0 HZ3 LYS A 51 -6.356 -7.276 -7.046 1.00 4.77 H new ATOM 821 N ALA A 52 -5.376 -4.135 -11.855 1.00 1.75 N ATOM 822 CA ALA A 52 -5.431 -2.680 -11.503 1.00 1.61 C ATOM 823 C ALA A 52 -6.126 -1.841 -12.573 1.00 1.54 C ATOM 824 O ALA A 52 -6.779 -0.854 -12.274 1.00 1.55 O ATOM 825 CB ALA A 52 -3.985 -2.185 -11.376 1.00 1.89 C ATOM 0 H ALA A 52 -4.851 -4.340 -12.705 1.00 1.75 H new ATOM 0 HA ALA A 52 -5.999 -2.573 -10.579 1.00 1.61 H new ATOM 0 HB1 ALA A 52 -3.984 -1.126 -11.120 1.00 1.89 H new ATOM 0 HB2 ALA A 52 -3.475 -2.748 -10.594 1.00 1.89 H new ATOM 0 HB3 ALA A 52 -3.467 -2.329 -12.324 1.00 1.89 H new ATOM 831 N GLY A 53 -5.915 -2.230 -13.795 1.00 1.85 N ATOM 832 CA GLY A 53 -6.504 -1.482 -14.943 1.00 2.05 C ATOM 833 C GLY A 53 -5.330 -0.860 -15.688 1.00 2.85 C ATOM 834 O GLY A 53 -5.240 -0.918 -16.895 1.00 3.87 O ATOM 0 H GLY A 53 -5.354 -3.042 -14.054 1.00 1.85 H new ATOM 0 HA2 GLY A 53 -7.069 -2.149 -15.594 1.00 2.05 H new ATOM 0 HA3 GLY A 53 -7.195 -0.715 -14.595 1.00 2.05 H new ATOM 838 N LYS A 54 -4.444 -0.301 -14.890 1.00 2.77 N ATOM 839 CA LYS A 54 -3.204 0.370 -15.388 1.00 3.64 C ATOM 840 C LYS A 54 -3.497 1.442 -16.455 1.00 2.69 C ATOM 841 O LYS A 54 -3.765 1.156 -17.610 1.00 3.38 O ATOM 842 CB LYS A 54 -2.232 -0.686 -15.941 1.00 5.53 C ATOM 843 CG LYS A 54 -0.819 -0.332 -15.459 1.00 6.68 C ATOM 844 CD LYS A 54 0.193 -1.390 -15.926 1.00 8.80 C ATOM 845 CE LYS A 54 1.585 -0.756 -16.004 1.00 9.82 C ATOM 846 NZ LYS A 54 1.864 0.090 -14.802 1.00 9.26 N ATOM 0 H LYS A 54 -4.539 -0.285 -13.875 1.00 2.77 H new ATOM 0 HA LYS A 54 -2.749 0.886 -14.543 1.00 3.64 H new ATOM 0 HB2 LYS A 54 -2.514 -1.681 -15.596 1.00 5.53 H new ATOM 0 HB3 LYS A 54 -2.269 -0.704 -17.030 1.00 5.53 H new ATOM 0 HG2 LYS A 54 -0.533 0.647 -15.843 1.00 6.68 H new ATOM 0 HG3 LYS A 54 -0.806 -0.264 -14.371 1.00 6.68 H new ATOM 0 HD2 LYS A 54 0.202 -2.232 -15.234 1.00 8.80 H new ATOM 0 HD3 LYS A 54 -0.096 -1.782 -16.901 1.00 8.80 H new ATOM 0 HE2 LYS A 54 2.340 -1.539 -16.084 1.00 9.82 H new ATOM 0 HE3 LYS A 54 1.660 -0.148 -16.905 1.00 9.82 H new ATOM 0 HZ1 LYS A 54 1.908 1.090 -15.084 1.00 9.26 H new ATOM 0 HZ2 LYS A 54 1.105 -0.040 -14.103 1.00 9.26 H new ATOM 0 HZ3 LYS A 54 2.773 -0.192 -14.383 1.00 9.26 H new ATOM 860 N PRO A 55 -3.441 2.679 -16.010 1.00 2.78 N ATOM 861 CA PRO A 55 -2.907 3.790 -16.831 1.00 2.99 C ATOM 862 C PRO A 55 -1.526 3.419 -17.399 1.00 2.47 C ATOM 863 O PRO A 55 -0.981 2.380 -17.082 1.00 3.18 O ATOM 864 CB PRO A 55 -2.854 4.973 -15.855 1.00 4.64 C ATOM 865 CG PRO A 55 -3.871 4.635 -14.740 1.00 5.22 C ATOM 866 CD PRO A 55 -3.924 3.101 -14.670 1.00 4.12 C ATOM 0 HA PRO A 55 -3.515 4.024 -17.705 1.00 2.99 H new ATOM 0 HB2 PRO A 55 -1.851 5.100 -15.446 1.00 4.64 H new ATOM 0 HB3 PRO A 55 -3.115 5.906 -16.355 1.00 4.64 H new ATOM 0 HG2 PRO A 55 -3.559 5.059 -13.785 1.00 5.22 H new ATOM 0 HG3 PRO A 55 -4.853 5.050 -14.968 1.00 5.22 H new ATOM 0 HD2 PRO A 55 -3.289 2.713 -13.873 1.00 4.12 H new ATOM 0 HD3 PRO A 55 -4.935 2.742 -14.476 1.00 4.12 H new ATOM 874 N VAL A 56 -0.932 4.295 -18.153 1.00 2.81 N ATOM 875 CA VAL A 56 0.392 3.944 -18.749 1.00 3.18 C ATOM 876 C VAL A 56 1.527 4.316 -17.785 1.00 2.94 C ATOM 877 O VAL A 56 2.424 5.081 -18.102 1.00 4.13 O ATOM 878 CB VAL A 56 0.534 4.654 -20.102 1.00 4.74 C ATOM 879 CG1 VAL A 56 1.606 3.946 -20.943 1.00 5.90 C ATOM 880 CG2 VAL A 56 -0.803 4.612 -20.860 1.00 5.53 C ATOM 0 H VAL A 56 -1.292 5.221 -18.382 1.00 2.81 H new ATOM 0 HA VAL A 56 0.454 2.869 -18.915 1.00 3.18 H new ATOM 0 HB VAL A 56 0.822 5.691 -19.929 1.00 4.74 H new ATOM 0 HG11 VAL A 56 1.707 4.451 -21.904 1.00 5.90 H new ATOM 0 HG12 VAL A 56 2.560 3.975 -20.416 1.00 5.90 H new ATOM 0 HG13 VAL A 56 1.314 2.909 -21.107 1.00 5.90 H new ATOM 0 HG21 VAL A 56 -0.694 5.118 -21.819 1.00 5.53 H new ATOM 0 HG22 VAL A 56 -1.094 3.575 -21.028 1.00 5.53 H new ATOM 0 HG23 VAL A 56 -1.571 5.113 -20.271 1.00 5.53 H new ATOM 890 N GLU A 57 1.449 3.716 -16.627 1.00 2.22 N ATOM 891 CA GLU A 57 2.467 3.935 -15.554 1.00 2.55 C ATOM 892 C GLU A 57 3.383 2.704 -15.527 1.00 2.32 C ATOM 893 O GLU A 57 3.152 1.764 -16.271 1.00 2.87 O ATOM 894 CB GLU A 57 1.728 4.081 -14.207 1.00 3.62 C ATOM 895 CG GLU A 57 0.988 2.770 -13.874 1.00 4.22 C ATOM 896 CD GLU A 57 0.063 2.967 -12.673 1.00 4.91 C ATOM 897 OE1 GLU A 57 0.602 3.276 -11.630 1.00 5.66 O ATOM 898 OE2 GLU A 57 -1.124 2.760 -12.865 1.00 5.41 O ATOM 0 H GLU A 57 0.704 3.067 -16.373 1.00 2.22 H new ATOM 0 HA GLU A 57 3.058 4.832 -15.736 1.00 2.55 H new ATOM 0 HB2 GLU A 57 2.439 4.320 -13.416 1.00 3.62 H new ATOM 0 HB3 GLU A 57 1.019 4.907 -14.258 1.00 3.62 H new ATOM 0 HG2 GLU A 57 0.408 2.444 -14.737 1.00 4.22 H new ATOM 0 HG3 GLU A 57 1.710 1.982 -13.659 1.00 4.22 H new ATOM 905 N THR A 58 4.368 2.684 -14.677 1.00 2.55 N ATOM 906 CA THR A 58 5.256 1.481 -14.647 1.00 3.33 C ATOM 907 C THR A 58 5.130 0.799 -13.290 1.00 2.85 C ATOM 908 O THR A 58 4.118 0.160 -13.059 1.00 2.92 O ATOM 909 CB THR A 58 6.695 1.914 -14.940 1.00 4.68 C ATOM 910 OG1 THR A 58 6.585 2.661 -16.140 1.00 5.26 O ATOM 911 CG2 THR A 58 7.574 0.713 -15.314 1.00 6.10 C ATOM 0 H THR A 58 4.598 3.426 -14.015 1.00 2.55 H new ATOM 0 HA THR A 58 4.960 0.762 -15.411 1.00 3.33 H new ATOM 0 HB THR A 58 7.121 2.430 -14.079 1.00 4.68 H new ATOM 0 HG1 THR A 58 7.471 2.985 -16.406 1.00 5.26 H new ATOM 0 HG21 THR A 58 8.589 1.054 -15.516 1.00 6.10 H new ATOM 0 HG22 THR A 58 7.588 0.001 -14.489 1.00 6.10 H new ATOM 0 HG23 THR A 58 7.170 0.229 -16.203 1.00 6.10 H new ATOM 919 N VAL A 59 6.129 0.923 -12.445 1.00 2.60 N ATOM 920 CA VAL A 59 6.056 0.288 -11.104 1.00 2.20 C ATOM 921 C VAL A 59 6.539 1.276 -10.033 1.00 2.21 C ATOM 922 O VAL A 59 7.342 2.155 -10.310 1.00 2.70 O ATOM 923 CB VAL A 59 6.943 -0.959 -11.098 1.00 2.54 C ATOM 924 CG1 VAL A 59 6.377 -1.976 -12.095 1.00 3.66 C ATOM 925 CG2 VAL A 59 8.382 -0.586 -11.480 1.00 2.81 C ATOM 0 H VAL A 59 6.989 1.438 -12.634 1.00 2.60 H new ATOM 0 HA VAL A 59 5.026 0.008 -10.884 1.00 2.20 H new ATOM 0 HB VAL A 59 6.956 -1.395 -10.099 1.00 2.54 H new ATOM 0 HG11 VAL A 59 7.002 -2.869 -12.098 1.00 3.66 H new ATOM 0 HG12 VAL A 59 5.362 -2.245 -11.803 1.00 3.66 H new ATOM 0 HG13 VAL A 59 6.364 -1.538 -13.093 1.00 3.66 H new ATOM 0 HG21 VAL A 59 9.004 -1.481 -11.472 1.00 2.81 H new ATOM 0 HG22 VAL A 59 8.391 -0.146 -12.477 1.00 2.81 H new ATOM 0 HG23 VAL A 59 8.774 0.134 -10.762 1.00 2.81 H new ATOM 935 N PRO A 60 6.079 1.098 -8.815 1.00 1.87 N ATOM 936 CA PRO A 60 5.121 0.046 -8.392 1.00 1.55 C ATOM 937 C PRO A 60 3.693 0.602 -8.364 1.00 1.18 C ATOM 938 O PRO A 60 3.429 1.647 -8.931 1.00 1.51 O ATOM 939 CB PRO A 60 5.594 -0.249 -6.980 1.00 1.71 C ATOM 940 CG PRO A 60 6.060 1.119 -6.450 1.00 1.86 C ATOM 941 CD PRO A 60 6.563 1.896 -7.678 1.00 2.00 C ATOM 0 HA PRO A 60 5.096 -0.823 -9.049 1.00 1.55 H new ATOM 0 HB2 PRO A 60 4.792 -0.662 -6.368 1.00 1.71 H new ATOM 0 HB3 PRO A 60 6.406 -0.977 -6.975 1.00 1.71 H new ATOM 0 HG2 PRO A 60 5.242 1.648 -5.961 1.00 1.86 H new ATOM 0 HG3 PRO A 60 6.852 1.002 -5.710 1.00 1.86 H new ATOM 0 HD2 PRO A 60 6.164 2.910 -7.702 1.00 2.00 H new ATOM 0 HD3 PRO A 60 7.650 1.981 -7.681 1.00 2.00 H new ATOM 949 N GLN A 61 2.812 -0.132 -7.718 1.00 0.75 N ATOM 950 CA GLN A 61 1.388 0.317 -7.593 1.00 0.67 C ATOM 951 C GLN A 61 0.830 -0.184 -6.247 1.00 0.57 C ATOM 952 O GLN A 61 1.417 -1.073 -5.628 1.00 0.64 O ATOM 953 CB GLN A 61 0.547 -0.231 -8.765 1.00 0.86 C ATOM 954 CG GLN A 61 1.153 0.245 -10.108 1.00 1.11 C ATOM 955 CD GLN A 61 0.149 0.074 -11.257 1.00 1.70 C ATOM 956 OE1 GLN A 61 0.511 -0.185 -12.404 1.00 2.65 O ATOM 957 NE2 GLN A 61 -1.114 0.260 -11.019 1.00 2.64 N ATOM 0 H GLN A 61 3.021 -1.025 -7.272 1.00 0.75 H new ATOM 0 HA GLN A 61 1.340 1.405 -7.627 1.00 0.67 H new ATOM 0 HB2 GLN A 61 0.524 -1.320 -8.731 1.00 0.86 H new ATOM 0 HB3 GLN A 61 -0.484 0.113 -8.678 1.00 0.86 H new ATOM 0 HG2 GLN A 61 1.445 1.292 -10.028 1.00 1.11 H new ATOM 0 HG3 GLN A 61 2.058 -0.323 -10.324 1.00 1.11 H new ATOM 0 HE21 GLN A 61 -1.428 0.475 -10.073 1.00 2.64 H new ATOM 0 HE22 GLN A 61 -1.792 0.191 -11.778 1.00 2.64 H new ATOM 966 N ILE A 62 -0.280 0.385 -5.820 1.00 0.51 N ATOM 967 CA ILE A 62 -0.869 -0.048 -4.511 1.00 0.50 C ATOM 968 C ILE A 62 -2.292 -0.571 -4.676 1.00 0.50 C ATOM 969 O ILE A 62 -3.041 -0.167 -5.561 1.00 0.58 O ATOM 970 CB ILE A 62 -0.909 1.124 -3.495 1.00 0.59 C ATOM 971 CG1 ILE A 62 0.498 1.469 -2.982 1.00 0.97 C ATOM 972 CG2 ILE A 62 -1.777 0.749 -2.277 1.00 0.67 C ATOM 973 CD1 ILE A 62 1.243 2.293 -4.025 1.00 1.01 C ATOM 0 H ILE A 62 -0.793 1.116 -6.313 1.00 0.51 H new ATOM 0 HA ILE A 62 -0.225 -0.845 -4.140 1.00 0.50 H new ATOM 0 HB ILE A 62 -1.329 1.984 -4.016 1.00 0.59 H new ATOM 0 HG12 ILE A 62 0.427 2.027 -2.048 1.00 0.97 H new ATOM 0 HG13 ILE A 62 1.050 0.554 -2.766 1.00 0.97 H new ATOM 0 HG21 ILE A 62 -1.795 1.581 -1.573 1.00 0.67 H new ATOM 0 HG22 ILE A 62 -2.793 0.531 -2.607 1.00 0.67 H new ATOM 0 HG23 ILE A 62 -1.358 -0.130 -1.788 1.00 0.67 H new ATOM 0 HD11 ILE A 62 2.239 2.534 -3.655 1.00 1.01 H new ATOM 0 HD12 ILE A 62 1.328 1.720 -4.948 1.00 1.01 H new ATOM 0 HD13 ILE A 62 0.695 3.215 -4.219 1.00 1.01 H new ATOM 985 N PHE A 63 -2.608 -1.459 -3.782 1.00 0.55 N ATOM 986 CA PHE A 63 -3.948 -2.076 -3.737 1.00 0.61 C ATOM 987 C PHE A 63 -4.446 -2.057 -2.301 1.00 0.59 C ATOM 988 O PHE A 63 -3.692 -2.397 -1.404 1.00 0.68 O ATOM 989 CB PHE A 63 -3.830 -3.524 -4.197 1.00 0.77 C ATOM 990 CG PHE A 63 -4.053 -3.574 -5.697 1.00 0.74 C ATOM 991 CD1 PHE A 63 -5.340 -3.570 -6.188 1.00 1.03 C ATOM 992 CD2 PHE A 63 -2.988 -3.577 -6.575 1.00 0.83 C ATOM 993 CE1 PHE A 63 -5.568 -3.568 -7.536 1.00 1.24 C ATOM 994 CE2 PHE A 63 -3.214 -3.579 -7.928 1.00 1.06 C ATOM 995 CZ PHE A 63 -4.505 -3.575 -8.405 1.00 1.21 C ATOM 0 H PHE A 63 -1.969 -1.790 -3.059 1.00 0.55 H new ATOM 0 HA PHE A 63 -4.639 -1.530 -4.380 1.00 0.61 H new ATOM 0 HB2 PHE A 63 -2.846 -3.922 -3.947 1.00 0.77 H new ATOM 0 HB3 PHE A 63 -4.564 -4.145 -3.684 1.00 0.77 H new ATOM 0 HD1 PHE A 63 -6.175 -3.568 -5.503 1.00 1.03 H new ATOM 0 HD2 PHE A 63 -1.976 -3.578 -6.197 1.00 0.83 H new ATOM 0 HE1 PHE A 63 -6.579 -3.561 -7.915 1.00 1.24 H new ATOM 0 HE2 PHE A 63 -2.382 -3.584 -8.616 1.00 1.06 H new ATOM 0 HZ PHE A 63 -4.683 -3.577 -9.470 1.00 1.21 H new ATOM 1005 N VAL A 64 -5.649 -1.604 -2.101 1.00 0.55 N ATOM 1006 CA VAL A 64 -6.212 -1.612 -0.717 1.00 0.57 C ATOM 1007 C VAL A 64 -7.492 -2.447 -0.766 1.00 0.68 C ATOM 1008 O VAL A 64 -8.307 -2.267 -1.658 1.00 0.98 O ATOM 1009 CB VAL A 64 -6.509 -0.173 -0.268 1.00 0.64 C ATOM 1010 CG1 VAL A 64 -7.094 -0.178 1.144 1.00 0.75 C ATOM 1011 CG2 VAL A 64 -5.202 0.622 -0.224 1.00 0.71 C ATOM 0 H VAL A 64 -6.264 -1.232 -2.824 1.00 0.55 H new ATOM 0 HA VAL A 64 -5.509 -2.038 -0.001 1.00 0.57 H new ATOM 0 HB VAL A 64 -7.214 0.273 -0.969 1.00 0.64 H new ATOM 0 HG11 VAL A 64 -7.302 0.846 1.455 1.00 0.75 H new ATOM 0 HG12 VAL A 64 -8.019 -0.755 1.153 1.00 0.75 H new ATOM 0 HG13 VAL A 64 -6.379 -0.628 1.832 1.00 0.75 H new ATOM 0 HG21 VAL A 64 -5.408 1.644 0.094 1.00 0.71 H new ATOM 0 HG22 VAL A 64 -4.515 0.154 0.481 1.00 0.71 H new ATOM 0 HG23 VAL A 64 -4.750 0.635 -1.216 1.00 0.71 H new ATOM 1021 N ASP A 65 -7.616 -3.391 0.137 1.00 0.86 N ATOM 1022 CA ASP A 65 -8.843 -4.259 0.159 1.00 1.13 C ATOM 1023 C ASP A 65 -9.144 -4.876 -1.214 1.00 1.18 C ATOM 1024 O ASP A 65 -10.269 -5.161 -1.573 1.00 2.53 O ATOM 1025 CB ASP A 65 -10.005 -3.411 0.613 1.00 1.36 C ATOM 1026 CG ASP A 65 -10.019 -3.319 2.152 1.00 1.74 C ATOM 1027 OD1 ASP A 65 -8.933 -3.381 2.721 1.00 2.29 O ATOM 1028 OD2 ASP A 65 -11.104 -3.189 2.685 1.00 2.77 O ATOM 0 H ASP A 65 -6.925 -3.599 0.858 1.00 0.86 H new ATOM 0 HA ASP A 65 -8.674 -5.090 0.844 1.00 1.13 H new ATOM 0 HB2 ASP A 65 -9.929 -2.413 0.181 1.00 1.36 H new ATOM 0 HB3 ASP A 65 -10.941 -3.841 0.257 1.00 1.36 H new ATOM 1033 N GLN A 66 -8.092 -4.980 -1.940 1.00 1.67 N ATOM 1034 CA GLN A 66 -8.066 -5.578 -3.322 1.00 2.09 C ATOM 1035 C GLN A 66 -8.554 -4.642 -4.429 1.00 1.52 C ATOM 1036 O GLN A 66 -8.440 -4.994 -5.598 1.00 1.83 O ATOM 1037 CB GLN A 66 -8.863 -6.891 -3.355 1.00 2.96 C ATOM 1038 CG GLN A 66 -7.873 -8.054 -3.241 1.00 4.71 C ATOM 1039 CD GLN A 66 -7.342 -8.405 -4.636 1.00 6.28 C ATOM 1040 OE1 GLN A 66 -6.725 -7.598 -5.319 1.00 7.24 O ATOM 1041 NE2 GLN A 66 -7.574 -9.594 -5.103 1.00 7.13 N ATOM 0 H GLN A 66 -7.176 -4.658 -1.627 1.00 1.67 H new ATOM 0 HA GLN A 66 -7.014 -5.768 -3.534 1.00 2.09 H new ATOM 0 HB2 GLN A 66 -9.581 -6.921 -2.535 1.00 2.96 H new ATOM 0 HB3 GLN A 66 -9.433 -6.966 -4.281 1.00 2.96 H new ATOM 0 HG2 GLN A 66 -7.048 -7.781 -2.583 1.00 4.71 H new ATOM 0 HG3 GLN A 66 -8.362 -8.921 -2.797 1.00 4.71 H new ATOM 0 HE21 GLN A 66 -8.087 -10.272 -4.540 1.00 7.13 H new ATOM 0 HE22 GLN A 66 -7.243 -9.850 -6.033 1.00 7.13 H new ATOM 1050 N GLN A 67 -9.058 -3.488 -4.079 1.00 0.96 N ATOM 1051 CA GLN A 67 -9.520 -2.550 -5.129 1.00 0.80 C ATOM 1052 C GLN A 67 -8.272 -1.787 -5.592 1.00 0.64 C ATOM 1053 O GLN A 67 -7.314 -1.676 -4.831 1.00 0.62 O ATOM 1054 CB GLN A 67 -10.585 -1.620 -4.509 1.00 1.16 C ATOM 1055 CG GLN A 67 -9.956 -0.459 -3.720 1.00 1.86 C ATOM 1056 CD GLN A 67 -11.017 0.174 -2.805 1.00 3.05 C ATOM 1057 OE1 GLN A 67 -11.977 0.775 -3.250 1.00 3.44 O ATOM 1058 NE2 GLN A 67 -10.884 0.050 -1.519 1.00 4.35 N ATOM 0 H GLN A 67 -9.167 -3.161 -3.119 1.00 0.96 H new ATOM 0 HA GLN A 67 -9.981 -3.044 -5.985 1.00 0.80 H new ATOM 0 HB2 GLN A 67 -11.218 -1.218 -5.300 1.00 1.16 H new ATOM 0 HB3 GLN A 67 -11.230 -2.199 -3.848 1.00 1.16 H new ATOM 0 HG2 GLN A 67 -9.117 -0.822 -3.125 1.00 1.86 H new ATOM 0 HG3 GLN A 67 -9.560 0.289 -4.407 1.00 1.86 H new ATOM 0 HE21 GLN A 67 -10.083 -0.452 -1.135 1.00 4.35 H new ATOM 0 HE22 GLN A 67 -11.580 0.454 -0.893 1.00 4.35 H new ATOM 1067 N HIS A 68 -8.274 -1.284 -6.796 1.00 0.76 N ATOM 1068 CA HIS A 68 -7.048 -0.568 -7.243 1.00 0.73 C ATOM 1069 C HIS A 68 -7.083 0.867 -6.733 1.00 0.62 C ATOM 1070 O HIS A 68 -8.146 1.454 -6.610 1.00 0.76 O ATOM 1071 CB HIS A 68 -6.961 -0.565 -8.771 1.00 0.91 C ATOM 1072 CG HIS A 68 -5.637 0.017 -9.276 1.00 0.90 C ATOM 1073 ND1 HIS A 68 -5.553 0.603 -10.436 1.00 1.15 N ATOM 1074 CD2 HIS A 68 -4.398 0.133 -8.689 1.00 1.04 C ATOM 1075 CE1 HIS A 68 -4.339 1.096 -10.571 1.00 1.26 C ATOM 1076 NE2 HIS A 68 -3.643 0.801 -9.505 1.00 1.14 N ATOM 0 H HIS A 68 -9.040 -1.334 -7.467 1.00 0.76 H new ATOM 0 HA HIS A 68 -6.174 -1.080 -6.841 1.00 0.73 H new ATOM 0 HB2 HIS A 68 -7.072 -1.584 -9.141 1.00 0.91 H new ATOM 0 HB3 HIS A 68 -7.789 0.014 -9.179 1.00 0.91 H new ATOM 0 HD1 HIS A 68 -6.302 0.669 -11.125 1.00 1.15 H new ATOM 0 HD2 HIS A 68 -4.108 -0.260 -7.726 1.00 1.04 H new ATOM 0 HE1 HIS A 68 -3.978 1.653 -11.423 1.00 1.26 H new ATOM 1084 N ILE A 69 -5.921 1.386 -6.453 1.00 0.56 N ATOM 1085 CA ILE A 69 -5.828 2.774 -5.938 1.00 0.57 C ATOM 1086 C ILE A 69 -5.056 3.634 -6.946 1.00 0.76 C ATOM 1087 O ILE A 69 -5.361 4.800 -7.133 1.00 0.92 O ATOM 1088 CB ILE A 69 -5.106 2.721 -4.578 1.00 0.62 C ATOM 1089 CG1 ILE A 69 -5.653 1.561 -3.717 1.00 0.74 C ATOM 1090 CG2 ILE A 69 -5.328 4.035 -3.827 1.00 0.69 C ATOM 1091 CD1 ILE A 69 -7.151 1.744 -3.418 1.00 0.81 C ATOM 0 H ILE A 69 -5.029 0.904 -6.560 1.00 0.56 H new ATOM 0 HA ILE A 69 -6.815 3.218 -5.806 1.00 0.57 H new ATOM 0 HB ILE A 69 -4.043 2.564 -4.760 1.00 0.62 H new ATOM 0 HG12 ILE A 69 -5.497 0.615 -4.236 1.00 0.74 H new ATOM 0 HG13 ILE A 69 -5.097 1.507 -2.781 1.00 0.74 H new ATOM 0 HG21 ILE A 69 -4.816 3.995 -2.865 1.00 0.69 H new ATOM 0 HG22 ILE A 69 -4.931 4.862 -4.415 1.00 0.69 H new ATOM 0 HG23 ILE A 69 -6.395 4.185 -3.664 1.00 0.69 H new ATOM 0 HD11 ILE A 69 -7.505 0.911 -2.810 1.00 0.81 H new ATOM 0 HD12 ILE A 69 -7.303 2.678 -2.877 1.00 0.81 H new ATOM 0 HD13 ILE A 69 -7.708 1.773 -4.354 1.00 0.81 H new ATOM 1103 N GLY A 70 -4.076 3.039 -7.575 1.00 0.93 N ATOM 1104 CA GLY A 70 -3.273 3.796 -8.580 1.00 1.23 C ATOM 1105 C GLY A 70 -1.799 3.411 -8.479 1.00 1.19 C ATOM 1106 O GLY A 70 -1.473 2.249 -8.271 1.00 1.94 O ATOM 0 H GLY A 70 -3.798 2.067 -7.437 1.00 0.93 H new ATOM 0 HA2 GLY A 70 -3.643 3.586 -9.584 1.00 1.23 H new ATOM 0 HA3 GLY A 70 -3.388 4.867 -8.415 1.00 1.23 H new ATOM 1110 N GLY A 71 -0.944 4.390 -8.601 1.00 1.35 N ATOM 1111 CA GLY A 71 0.522 4.118 -8.540 1.00 1.66 C ATOM 1112 C GLY A 71 1.069 4.435 -7.151 1.00 1.75 C ATOM 1113 O GLY A 71 1.507 3.547 -6.456 1.00 2.80 O ATOM 0 H GLY A 71 -1.197 5.368 -8.741 1.00 1.35 H new ATOM 0 HA2 GLY A 71 0.714 3.073 -8.783 1.00 1.66 H new ATOM 0 HA3 GLY A 71 1.040 4.719 -9.287 1.00 1.66 H new ATOM 1117 N TYR A 72 1.051 5.677 -6.756 1.00 1.57 N ATOM 1118 CA TYR A 72 1.583 5.996 -5.388 1.00 1.49 C ATOM 1119 C TYR A 72 1.010 7.312 -4.882 1.00 1.23 C ATOM 1120 O TYR A 72 0.515 7.391 -3.775 1.00 1.27 O ATOM 1121 CB TYR A 72 3.121 6.061 -5.400 1.00 1.68 C ATOM 1122 CG TYR A 72 3.590 6.549 -4.022 1.00 1.63 C ATOM 1123 CD1 TYR A 72 3.445 5.745 -2.906 1.00 1.64 C ATOM 1124 CD2 TYR A 72 4.060 7.835 -3.858 1.00 1.75 C ATOM 1125 CE1 TYR A 72 3.750 6.228 -1.653 1.00 1.66 C ATOM 1126 CE2 TYR A 72 4.366 8.314 -2.604 1.00 1.78 C ATOM 1127 CZ TYR A 72 4.207 7.513 -1.492 1.00 1.69 C ATOM 1128 OH TYR A 72 4.482 7.996 -0.232 1.00 1.81 O ATOM 0 H TYR A 72 0.704 6.469 -7.297 1.00 1.57 H new ATOM 0 HA TYR A 72 1.274 5.197 -4.714 1.00 1.49 H new ATOM 0 HB2 TYR A 72 3.541 5.080 -5.619 1.00 1.68 H new ATOM 0 HB3 TYR A 72 3.467 6.738 -6.181 1.00 1.68 H new ATOM 0 HD1 TYR A 72 3.090 4.731 -3.018 1.00 1.64 H new ATOM 0 HD2 TYR A 72 4.189 8.472 -4.721 1.00 1.75 H new ATOM 0 HE1 TYR A 72 3.629 5.591 -0.789 1.00 1.66 H new ATOM 0 HE2 TYR A 72 4.733 9.323 -2.490 1.00 1.78 H new ATOM 0 HH TYR A 72 5.176 8.685 -0.290 1.00 1.81 H new ATOM 1138 N THR A 73 1.162 8.337 -5.674 1.00 1.18 N ATOM 1139 CA THR A 73 0.609 9.669 -5.286 1.00 1.07 C ATOM 1140 C THR A 73 -0.824 9.444 -4.799 1.00 0.90 C ATOM 1141 O THR A 73 -1.249 9.931 -3.769 1.00 1.06 O ATOM 1142 CB THR A 73 0.641 10.555 -6.540 1.00 1.20 C ATOM 1143 OG1 THR A 73 0.165 9.697 -7.579 1.00 1.43 O ATOM 1144 CG2 THR A 73 2.079 10.898 -6.954 1.00 1.55 C ATOM 0 H THR A 73 1.644 8.312 -6.572 1.00 1.18 H new ATOM 0 HA THR A 73 1.180 10.152 -4.493 1.00 1.07 H new ATOM 0 HB THR A 73 0.080 11.473 -6.367 1.00 1.20 H new ATOM 0 HG1 THR A 73 0.150 10.187 -8.427 1.00 1.43 H new ATOM 0 HG21 THR A 73 2.061 11.526 -7.845 1.00 1.55 H new ATOM 0 HG22 THR A 73 2.573 11.433 -6.143 1.00 1.55 H new ATOM 0 HG23 THR A 73 2.625 9.979 -7.169 1.00 1.55 H new ATOM 1152 N ASP A 74 -1.522 8.699 -5.593 1.00 0.83 N ATOM 1153 CA ASP A 74 -2.923 8.334 -5.267 1.00 0.73 C ATOM 1154 C ASP A 74 -2.980 7.714 -3.869 1.00 0.67 C ATOM 1155 O ASP A 74 -3.652 8.230 -3.025 1.00 0.77 O ATOM 1156 CB ASP A 74 -3.419 7.320 -6.295 1.00 0.84 C ATOM 1157 CG ASP A 74 -2.276 6.364 -6.614 1.00 1.90 C ATOM 1158 OD1 ASP A 74 -1.455 6.761 -7.430 1.00 2.58 O ATOM 1159 OD2 ASP A 74 -2.244 5.322 -5.987 1.00 3.27 O ATOM 0 H ASP A 74 -1.177 8.318 -6.474 1.00 0.83 H new ATOM 0 HA ASP A 74 -3.552 9.224 -5.289 1.00 0.73 H new ATOM 0 HB2 ASP A 74 -4.275 6.771 -5.904 1.00 0.84 H new ATOM 0 HB3 ASP A 74 -3.752 7.828 -7.200 1.00 0.84 H new ATOM 1164 N PHE A 75 -2.275 6.633 -3.655 1.00 0.64 N ATOM 1165 CA PHE A 75 -2.300 5.994 -2.301 1.00 0.69 C ATOM 1166 C PHE A 75 -1.987 7.051 -1.239 1.00 0.76 C ATOM 1167 O PHE A 75 -2.668 7.150 -0.252 1.00 0.85 O ATOM 1168 CB PHE A 75 -1.275 4.848 -2.236 1.00 0.75 C ATOM 1169 CG PHE A 75 -1.401 4.092 -0.894 1.00 0.71 C ATOM 1170 CD1 PHE A 75 -2.596 3.499 -0.525 1.00 0.73 C ATOM 1171 CD2 PHE A 75 -0.312 3.982 -0.043 1.00 0.78 C ATOM 1172 CE1 PHE A 75 -2.699 2.809 0.668 1.00 0.71 C ATOM 1173 CE2 PHE A 75 -0.417 3.297 1.152 1.00 0.82 C ATOM 1174 CZ PHE A 75 -1.611 2.709 1.506 1.00 0.73 C ATOM 0 H PHE A 75 -1.689 6.168 -4.349 1.00 0.64 H new ATOM 0 HA PHE A 75 -3.290 5.578 -2.113 1.00 0.69 H new ATOM 0 HB2 PHE A 75 -1.436 4.160 -3.066 1.00 0.75 H new ATOM 0 HB3 PHE A 75 -0.266 5.247 -2.343 1.00 0.75 H new ATOM 0 HD1 PHE A 75 -3.455 3.576 -1.175 1.00 0.73 H new ATOM 0 HD2 PHE A 75 0.628 4.437 -0.317 1.00 0.78 H new ATOM 0 HE1 PHE A 75 -3.635 2.347 0.944 1.00 0.71 H new ATOM 0 HE2 PHE A 75 0.437 3.223 1.809 1.00 0.82 H new ATOM 0 HZ PHE A 75 -1.694 2.171 2.439 1.00 0.73 H new ATOM 1184 N ALA A 76 -0.961 7.820 -1.460 1.00 0.82 N ATOM 1185 CA ALA A 76 -0.617 8.883 -0.469 1.00 0.94 C ATOM 1186 C ALA A 76 -1.856 9.738 -0.168 1.00 0.94 C ATOM 1187 O ALA A 76 -2.325 9.806 0.958 1.00 0.97 O ATOM 1188 CB ALA A 76 0.502 9.752 -1.060 1.00 1.04 C ATOM 0 H ALA A 76 -0.349 7.763 -2.274 1.00 0.82 H new ATOM 0 HA ALA A 76 -0.279 8.433 0.464 1.00 0.94 H new ATOM 0 HB1 ALA A 76 0.768 10.535 -0.350 1.00 1.04 H new ATOM 0 HB2 ALA A 76 1.376 9.133 -1.261 1.00 1.04 H new ATOM 0 HB3 ALA A 76 0.158 10.206 -1.989 1.00 1.04 H new ATOM 1194 N ALA A 77 -2.381 10.342 -1.199 1.00 0.94 N ATOM 1195 CA ALA A 77 -3.592 11.197 -1.017 1.00 0.99 C ATOM 1196 C ALA A 77 -4.741 10.348 -0.478 1.00 0.95 C ATOM 1197 O ALA A 77 -5.203 10.563 0.623 1.00 1.04 O ATOM 1198 CB ALA A 77 -4.001 11.810 -2.362 1.00 1.03 C ATOM 0 H ALA A 77 -2.028 10.282 -2.154 1.00 0.94 H new ATOM 0 HA ALA A 77 -3.364 11.995 -0.310 1.00 0.99 H new ATOM 0 HB1 ALA A 77 -4.885 12.433 -2.224 1.00 1.03 H new ATOM 0 HB2 ALA A 77 -3.184 12.420 -2.747 1.00 1.03 H new ATOM 0 HB3 ALA A 77 -4.225 11.014 -3.072 1.00 1.03 H new ATOM 1204 N TRP A 78 -5.156 9.398 -1.271 1.00 0.90 N ATOM 1205 CA TRP A 78 -6.270 8.491 -0.867 1.00 0.90 C ATOM 1206 C TRP A 78 -6.132 8.113 0.606 1.00 0.88 C ATOM 1207 O TRP A 78 -7.090 8.195 1.355 1.00 0.95 O ATOM 1208 CB TRP A 78 -6.244 7.215 -1.719 1.00 0.93 C ATOM 1209 CG TRP A 78 -7.339 6.207 -1.364 1.00 0.96 C ATOM 1210 CD1 TRP A 78 -8.606 6.158 -1.871 1.00 1.11 C ATOM 1211 CD2 TRP A 78 -7.339 5.261 -0.375 1.00 0.93 C ATOM 1212 NE1 TRP A 78 -9.310 5.261 -1.235 1.00 1.14 N ATOM 1213 CE2 TRP A 78 -8.589 4.673 -0.297 1.00 1.02 C ATOM 1214 CE3 TRP A 78 -6.315 4.919 0.480 1.00 0.95 C ATOM 1215 CZ2 TRP A 78 -8.836 3.717 0.658 1.00 1.05 C ATOM 1216 CZ3 TRP A 78 -6.581 3.960 1.442 1.00 1.02 C ATOM 1217 CH2 TRP A 78 -7.830 3.367 1.533 1.00 1.05 C ATOM 0 H TRP A 78 -4.766 9.209 -2.194 1.00 0.90 H new ATOM 0 HA TRP A 78 -7.215 9.012 -1.020 1.00 0.90 H new ATOM 0 HB2 TRP A 78 -6.344 7.490 -2.769 1.00 0.93 H new ATOM 0 HB3 TRP A 78 -5.272 6.735 -1.606 1.00 0.93 H new ATOM 0 HD1 TRP A 78 -8.972 6.772 -2.680 1.00 1.11 H new ATOM 0 HE1 TRP A 78 -10.286 5.043 -1.436 1.00 1.14 H new ATOM 0 HE3 TRP A 78 -5.342 5.381 0.403 1.00 0.95 H new ATOM 0 HZ2 TRP A 78 -9.806 3.246 0.722 1.00 1.05 H new ATOM 0 HZ3 TRP A 78 -5.803 3.669 2.132 1.00 1.02 H new ATOM 0 HH2 TRP A 78 -8.017 2.625 2.295 1.00 1.05 H new ATOM 1228 N VAL A 79 -4.948 7.697 0.989 1.00 0.87 N ATOM 1229 CA VAL A 79 -4.733 7.322 2.412 1.00 0.89 C ATOM 1230 C VAL A 79 -5.009 8.535 3.270 1.00 1.12 C ATOM 1231 O VAL A 79 -5.834 8.498 4.157 1.00 1.23 O ATOM 1232 CB VAL A 79 -3.274 6.880 2.631 1.00 0.88 C ATOM 1233 CG1 VAL A 79 -2.900 6.963 4.121 1.00 1.01 C ATOM 1234 CG2 VAL A 79 -3.118 5.433 2.167 1.00 0.76 C ATOM 0 H VAL A 79 -4.134 7.603 0.382 1.00 0.87 H new ATOM 0 HA VAL A 79 -5.397 6.499 2.676 1.00 0.89 H new ATOM 0 HB VAL A 79 -2.619 7.540 2.062 1.00 0.88 H new ATOM 0 HG11 VAL A 79 -1.866 6.647 4.255 1.00 1.01 H new ATOM 0 HG12 VAL A 79 -3.013 7.990 4.468 1.00 1.01 H new ATOM 0 HG13 VAL A 79 -3.556 6.311 4.698 1.00 1.01 H new ATOM 0 HG21 VAL A 79 -2.088 5.111 2.318 1.00 0.76 H new ATOM 0 HG22 VAL A 79 -3.786 4.792 2.742 1.00 0.76 H new ATOM 0 HG23 VAL A 79 -3.369 5.361 1.109 1.00 0.76 H new ATOM 1244 N LYS A 80 -4.263 9.572 3.010 1.00 1.33 N ATOM 1245 CA LYS A 80 -4.438 10.819 3.798 1.00 1.65 C ATOM 1246 C LYS A 80 -5.925 11.089 4.022 1.00 1.73 C ATOM 1247 O LYS A 80 -6.355 11.256 5.142 1.00 2.25 O ATOM 1248 CB LYS A 80 -3.799 11.990 3.029 1.00 1.60 C ATOM 1249 CG LYS A 80 -3.322 13.073 4.013 1.00 2.02 C ATOM 1250 CD LYS A 80 -4.495 13.957 4.489 1.00 2.22 C ATOM 1251 CE LYS A 80 -4.400 14.159 6.009 1.00 2.96 C ATOM 1252 NZ LYS A 80 -5.138 13.087 6.729 1.00 3.49 N ATOM 0 H LYS A 80 -3.543 9.608 2.288 1.00 1.33 H new ATOM 0 HA LYS A 80 -3.954 10.712 4.769 1.00 1.65 H new ATOM 0 HB2 LYS A 80 -2.958 11.630 2.437 1.00 1.60 H new ATOM 0 HB3 LYS A 80 -4.521 12.414 2.332 1.00 1.60 H new ATOM 0 HG2 LYS A 80 -2.847 12.601 4.873 1.00 2.02 H new ATOM 0 HG3 LYS A 80 -2.567 13.695 3.533 1.00 2.02 H new ATOM 0 HD2 LYS A 80 -4.467 14.921 3.981 1.00 2.22 H new ATOM 0 HD3 LYS A 80 -5.445 13.488 4.232 1.00 2.22 H new ATOM 0 HE2 LYS A 80 -3.354 14.157 6.316 1.00 2.96 H new ATOM 0 HE3 LYS A 80 -4.809 15.133 6.278 1.00 2.96 H new ATOM 0 HZ1 LYS A 80 -5.670 13.503 7.520 1.00 3.49 H new ATOM 0 HZ2 LYS A 80 -5.798 12.620 6.075 1.00 3.49 H new ATOM 0 HZ3 LYS A 80 -4.462 12.387 7.097 1.00 3.49 H new ATOM 1266 N GLU A 81 -6.663 11.031 2.954 1.00 1.51 N ATOM 1267 CA GLU A 81 -8.122 11.320 3.014 1.00 1.67 C ATOM 1268 C GLU A 81 -8.995 10.275 3.714 1.00 1.83 C ATOM 1269 O GLU A 81 -9.674 10.589 4.671 1.00 2.72 O ATOM 1270 CB GLU A 81 -8.659 11.433 1.578 1.00 1.58 C ATOM 1271 CG GLU A 81 -7.865 12.436 0.731 1.00 2.06 C ATOM 1272 CD GLU A 81 -8.300 12.292 -0.738 1.00 2.73 C ATOM 1273 OE1 GLU A 81 -8.020 11.230 -1.282 1.00 3.81 O ATOM 1274 OE2 GLU A 81 -8.897 13.243 -1.233 1.00 3.45 O ATOM 0 H GLU A 81 -6.313 10.792 2.026 1.00 1.51 H new ATOM 0 HA GLU A 81 -8.191 12.235 3.603 1.00 1.67 H new ATOM 0 HB2 GLU A 81 -8.624 10.453 1.102 1.00 1.58 H new ATOM 0 HB3 GLU A 81 -9.706 11.736 1.608 1.00 1.58 H new ATOM 0 HG2 GLU A 81 -8.045 13.452 1.081 1.00 2.06 H new ATOM 0 HG3 GLU A 81 -6.795 12.250 0.829 1.00 2.06 H new ATOM 1281 N ASN A 82 -8.928 9.057 3.273 1.00 1.34 N ATOM 1282 CA ASN A 82 -9.827 8.023 3.865 1.00 1.42 C ATOM 1283 C ASN A 82 -9.301 7.413 5.153 1.00 1.52 C ATOM 1284 O ASN A 82 -10.074 6.854 5.909 1.00 1.71 O ATOM 1285 CB ASN A 82 -10.020 6.893 2.845 1.00 1.29 C ATOM 1286 CG ASN A 82 -10.626 7.442 1.554 1.00 1.40 C ATOM 1287 OD1 ASN A 82 -11.799 7.280 1.285 1.00 1.75 O ATOM 1288 ND2 ASN A 82 -9.861 8.099 0.734 1.00 1.62 N ATOM 0 H ASN A 82 -8.301 8.729 2.538 1.00 1.34 H new ATOM 0 HA ASN A 82 -10.762 8.529 4.108 1.00 1.42 H new ATOM 0 HB2 ASN A 82 -9.062 6.418 2.632 1.00 1.29 H new ATOM 0 HB3 ASN A 82 -10.671 6.124 3.262 1.00 1.29 H new ATOM 0 HD21 ASN A 82 -10.247 8.476 -0.132 1.00 1.62 H new ATOM 0 HD22 ASN A 82 -8.875 8.237 0.956 1.00 1.62 H new ATOM 1295 N LEU A 83 -8.031 7.509 5.407 1.00 1.49 N ATOM 1296 CA LEU A 83 -7.518 6.880 6.657 1.00 1.73 C ATOM 1297 C LEU A 83 -7.091 7.895 7.709 1.00 2.28 C ATOM 1298 O LEU A 83 -7.373 7.682 8.872 1.00 2.09 O ATOM 1299 CB LEU A 83 -6.322 5.980 6.322 1.00 1.62 C ATOM 1300 CG LEU A 83 -6.721 4.897 5.303 1.00 1.14 C ATOM 1301 CD1 LEU A 83 -5.537 3.959 5.090 1.00 1.40 C ATOM 1302 CD2 LEU A 83 -7.910 4.071 5.813 1.00 1.05 C ATOM 0 H LEU A 83 -7.339 7.981 4.824 1.00 1.49 H new ATOM 0 HA LEU A 83 -8.341 6.303 7.078 1.00 1.73 H new ATOM 0 HB2 LEU A 83 -5.509 6.583 5.918 1.00 1.62 H new ATOM 0 HB3 LEU A 83 -5.949 5.510 7.232 1.00 1.62 H new ATOM 0 HG LEU A 83 -7.005 5.387 4.372 1.00 1.14 H new ATOM 0 HD11 LEU A 83 -5.809 3.188 4.370 1.00 1.40 H new ATOM 0 HD12 LEU A 83 -4.687 4.526 4.711 1.00 1.40 H new ATOM 0 HD13 LEU A 83 -5.268 3.492 6.037 1.00 1.40 H new ATOM 0 HD21 LEU A 83 -8.171 3.314 5.074 1.00 1.05 H new ATOM 0 HD22 LEU A 83 -7.640 3.585 6.751 1.00 1.05 H new ATOM 0 HD23 LEU A 83 -8.765 4.727 5.977 1.00 1.05 H new ATOM 1314 N ASP A 84 -6.503 8.994 7.303 1.00 2.99 N ATOM 1315 CA ASP A 84 -6.033 9.967 8.341 1.00 3.65 C ATOM 1316 C ASP A 84 -6.708 11.333 8.219 1.00 4.17 C ATOM 1317 O ASP A 84 -6.191 12.303 8.739 1.00 5.23 O ATOM 1318 CB ASP A 84 -4.506 10.118 8.193 1.00 4.63 C ATOM 1319 CG ASP A 84 -3.756 8.831 8.606 1.00 5.02 C ATOM 1320 OD1 ASP A 84 -4.403 7.864 8.983 1.00 5.14 O ATOM 1321 OD2 ASP A 84 -2.543 8.882 8.520 1.00 5.80 O ATOM 0 H ASP A 84 -6.332 9.255 6.332 1.00 2.99 H new ATOM 0 HA ASP A 84 -6.299 9.580 9.324 1.00 3.65 H new ATOM 0 HB2 ASP A 84 -4.264 10.363 7.159 1.00 4.63 H new ATOM 0 HB3 ASP A 84 -4.163 10.951 8.807 1.00 4.63 H new