USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 610 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 Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= -2.3 K(o=-2.3,f=-7.8!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.898 X(o=-0.9,f=-1.2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HE2:sc= -1.1 K(o=-1.1,f=-1.7) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 160:sc= 0.0677 USER MOD Single : A 26 GLN : amide:sc= -3.6 K(o=-3.6,f=-1.5!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -3.53! C(o=-3.5!,f=-2.3!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0.176 K(o=0.18,f=-3.3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -161:sc= -0.0337 (180deg=-0.232) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0738 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -155:sc= -0.0112 (180deg=-0.0283) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.639 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 77 CYS SG : rot 180:sc= 0.109 USER MOD Single : A 80 MET CE :methyl -153:sc= 0 (180deg=-0.306) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.202 10.804 11.449 1.00 0.00 N ATOM 60 CA GLY A 7 5.103 9.924 11.099 1.00 0.00 C ATOM 61 C GLY A 7 3.753 10.603 11.231 1.00 0.00 C ATOM 62 O GLY A 7 3.667 11.752 11.665 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.233 9.575 10.074 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.128 9.043 11.741 1.00 0.00 H new ATOM 66 N LEU A 8 2.696 9.892 10.854 1.00 0.00 N ATOM 67 CA LEU A 8 1.344 10.432 10.930 1.00 0.00 C ATOM 68 C LEU A 8 0.393 9.432 11.579 1.00 0.00 C ATOM 69 O LEU A 8 0.602 8.220 11.502 1.00 0.00 O ATOM 70 CB LEU A 8 0.841 10.799 9.533 1.00 0.00 C ATOM 71 CG LEU A 8 1.067 9.753 8.441 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.029 9.832 7.390 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.436 9.937 7.802 1.00 0.00 C ATOM 0 H LEU A 8 2.750 8.940 10.492 1.00 0.00 H new ATOM 0 HA LEU A 8 1.373 11.330 11.547 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.228 11.004 9.596 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.326 11.726 9.226 1.00 0.00 H new ATOM 0 HG LEU A 8 1.031 8.764 8.899 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.149 9.080 6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.996 9.650 7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.027 10.823 6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.580 9.184 7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.500 10.931 7.359 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.210 9.828 8.562 1.00 0.00 H new ATOM 85 N THR A 9 -0.655 9.945 12.216 1.00 0.00 N ATOM 86 CA THR A 9 -1.639 9.098 12.877 1.00 0.00 C ATOM 87 C THR A 9 -2.886 8.930 12.017 1.00 0.00 C ATOM 88 O THR A 9 -3.736 9.818 11.958 1.00 0.00 O ATOM 89 CB THR A 9 -2.047 9.673 14.246 1.00 0.00 C ATOM 90 OG1 THR A 9 -0.889 9.837 15.073 1.00 0.00 O ATOM 91 CG2 THR A 9 -3.047 8.761 14.940 1.00 0.00 C ATOM 0 H THR A 9 -0.844 10.945 12.288 1.00 0.00 H new ATOM 0 HA THR A 9 -1.170 8.126 13.025 1.00 0.00 H new ATOM 0 HB THR A 9 -2.517 10.643 14.083 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.156 10.205 15.941 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.320 9.188 15.905 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.939 8.662 14.322 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.599 7.779 15.092 1.00 0.00 H new ATOM 99 N VAL A 10 -2.990 7.784 11.351 1.00 0.00 N ATOM 100 CA VAL A 10 -4.135 7.499 10.495 1.00 0.00 C ATOM 101 C VAL A 10 -4.807 6.190 10.894 1.00 0.00 C ATOM 102 O VAL A 10 -4.137 5.202 11.199 1.00 0.00 O ATOM 103 CB VAL A 10 -3.723 7.420 9.013 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.419 6.651 8.862 1.00 0.00 C ATOM 105 CG2 VAL A 10 -4.828 6.781 8.186 1.00 0.00 C ATOM 0 H VAL A 10 -2.295 7.038 11.388 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.839 8.321 10.625 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.564 8.433 8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.143 6.605 7.808 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.632 7.156 9.421 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.546 5.640 9.248 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.520 6.733 7.142 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.021 5.773 8.554 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.736 7.378 8.269 1.00 0.00 H new ATOM 115 N THR A 11 -6.137 6.188 10.890 1.00 0.00 N ATOM 116 CA THR A 11 -6.900 5.000 11.252 1.00 0.00 C ATOM 117 C THR A 11 -7.187 4.137 10.029 1.00 0.00 C ATOM 118 O THR A 11 -7.432 4.651 8.937 1.00 0.00 O ATOM 119 CB THR A 11 -8.234 5.374 11.927 1.00 0.00 C ATOM 120 OG1 THR A 11 -7.993 6.242 13.040 1.00 0.00 O ATOM 121 CG2 THR A 11 -8.970 4.129 12.397 1.00 0.00 C ATOM 0 H THR A 11 -6.707 6.996 10.640 1.00 0.00 H new ATOM 0 HA THR A 11 -6.290 4.435 11.957 1.00 0.00 H new ATOM 0 HB THR A 11 -8.856 5.888 11.194 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.846 6.477 13.463 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.908 4.418 12.870 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.178 3.485 11.543 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.352 3.591 13.116 1.00 0.00 H new ATOM 129 N VAL A 12 -7.156 2.821 10.218 1.00 0.00 N ATOM 130 CA VAL A 12 -7.415 1.886 9.130 1.00 0.00 C ATOM 131 C VAL A 12 -8.639 1.027 9.423 1.00 0.00 C ATOM 132 O VAL A 12 -8.645 0.236 10.367 1.00 0.00 O ATOM 133 CB VAL A 12 -6.204 0.967 8.880 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.612 -0.241 8.051 1.00 0.00 C ATOM 135 CG2 VAL A 12 -5.083 1.737 8.199 1.00 0.00 C ATOM 0 H VAL A 12 -6.954 2.379 11.115 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.600 2.483 8.237 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.837 0.610 9.842 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.744 -0.878 7.885 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.379 -0.804 8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.006 0.093 7.091 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.236 1.073 8.030 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.436 2.125 7.244 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.773 2.566 8.835 1.00 0.00 H new ATOM 145 N THR A 13 -9.677 1.186 8.608 1.00 0.00 N ATOM 146 CA THR A 13 -10.908 0.426 8.780 1.00 0.00 C ATOM 147 C THR A 13 -10.762 -0.989 8.231 1.00 0.00 C ATOM 148 O THR A 13 -10.546 -1.181 7.034 1.00 0.00 O ATOM 149 CB THR A 13 -12.096 1.115 8.082 1.00 0.00 C ATOM 150 OG1 THR A 13 -12.309 2.414 8.646 1.00 0.00 O ATOM 151 CG2 THR A 13 -13.362 0.282 8.220 1.00 0.00 C ATOM 0 H THR A 13 -9.689 1.835 7.821 1.00 0.00 H new ATOM 0 HA THR A 13 -11.103 0.379 9.851 1.00 0.00 H new ATOM 0 HB THR A 13 -11.859 1.214 7.023 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.065 2.846 8.196 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.187 0.789 7.719 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.206 -0.695 7.764 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.601 0.155 9.276 1.00 0.00 H new ATOM 159 N HIS A 14 -10.882 -1.976 9.112 1.00 0.00 N ATOM 160 CA HIS A 14 -10.764 -3.374 8.715 1.00 0.00 C ATOM 161 C HIS A 14 -11.655 -4.262 9.579 1.00 0.00 C ATOM 162 O HIS A 14 -12.022 -3.891 10.694 1.00 0.00 O ATOM 163 CB HIS A 14 -9.310 -3.836 8.819 1.00 0.00 C ATOM 164 CG HIS A 14 -9.058 -5.170 8.188 1.00 0.00 C ATOM 165 ND1 HIS A 14 -8.952 -6.338 8.914 1.00 0.00 N ATOM 166 CD2 HIS A 14 -8.893 -5.520 6.891 1.00 0.00 C ATOM 167 CE1 HIS A 14 -8.731 -7.347 8.091 1.00 0.00 C ATOM 168 NE2 HIS A 14 -8.691 -6.878 6.857 1.00 0.00 N ATOM 0 H HIS A 14 -11.061 -1.834 10.106 1.00 0.00 H new ATOM 0 HA HIS A 14 -11.091 -3.460 7.679 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.667 -3.093 8.347 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.026 -3.881 9.870 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -9.032 -6.411 9.928 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.916 -4.855 6.041 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.604 -8.380 8.378 1.00 0.00 H new ATOM 177 N SER A 15 -11.998 -5.435 9.057 1.00 0.00 N ATOM 178 CA SER A 15 -12.849 -6.373 9.779 1.00 0.00 C ATOM 179 C SER A 15 -14.026 -5.650 10.429 1.00 0.00 C ATOM 180 O SER A 15 -14.262 -5.781 11.629 1.00 0.00 O ATOM 181 CB SER A 15 -12.039 -7.113 10.845 1.00 0.00 C ATOM 182 OG SER A 15 -12.581 -8.398 11.097 1.00 0.00 O ATOM 0 H SER A 15 -11.700 -5.758 8.137 1.00 0.00 H new ATOM 0 HA SER A 15 -13.240 -7.096 9.063 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.004 -7.209 10.518 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.029 -6.532 11.767 1.00 0.00 H new ATOM 0 HG SER A 15 -12.045 -8.851 11.781 1.00 0.00 H new ATOM 188 N ASN A 16 -14.760 -4.887 9.625 1.00 0.00 N ATOM 189 CA ASN A 16 -15.911 -4.142 10.121 1.00 0.00 C ATOM 190 C ASN A 16 -15.546 -3.342 11.367 1.00 0.00 C ATOM 191 O ASN A 16 -16.376 -3.144 12.254 1.00 0.00 O ATOM 192 CB ASN A 16 -17.066 -5.096 10.433 1.00 0.00 C ATOM 193 CG ASN A 16 -18.319 -4.363 10.873 1.00 0.00 C ATOM 194 OD1 ASN A 16 -18.695 -4.401 12.044 1.00 0.00 O ATOM 195 ND2 ASN A 16 -18.972 -3.692 9.932 1.00 0.00 N ATOM 0 H ASN A 16 -14.578 -4.769 8.628 1.00 0.00 H new ATOM 0 HA ASN A 16 -16.224 -3.445 9.343 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.289 -5.693 9.549 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -16.760 -5.789 11.217 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -19.822 -3.180 10.168 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -18.623 -3.688 8.973 1.00 0.00 H new ATOM 202 N GLU A 17 -14.300 -2.885 11.426 1.00 0.00 N ATOM 203 CA GLU A 17 -13.825 -2.106 12.565 1.00 0.00 C ATOM 204 C GLU A 17 -12.754 -1.109 12.133 1.00 0.00 C ATOM 205 O GLU A 17 -12.440 -0.991 10.948 1.00 0.00 O ATOM 206 CB GLU A 17 -13.268 -3.033 13.648 1.00 0.00 C ATOM 207 CG GLU A 17 -14.338 -3.821 14.384 1.00 0.00 C ATOM 208 CD GLU A 17 -13.897 -4.251 15.769 1.00 0.00 C ATOM 209 OE1 GLU A 17 -12.708 -4.599 15.931 1.00 0.00 O ATOM 210 OE2 GLU A 17 -14.739 -4.241 16.691 1.00 0.00 O ATOM 0 H GLU A 17 -13.601 -3.040 10.700 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.670 -1.551 12.972 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.565 -3.730 13.192 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.706 -2.439 14.369 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.239 -3.214 14.466 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.600 -4.703 13.800 1.00 0.00 H new ATOM 217 N LYS A 18 -12.198 -0.391 13.103 1.00 0.00 N ATOM 218 CA LYS A 18 -11.161 0.597 12.826 1.00 0.00 C ATOM 219 C LYS A 18 -9.973 0.417 13.766 1.00 0.00 C ATOM 220 O LYS A 18 -10.144 0.122 14.949 1.00 0.00 O ATOM 221 CB LYS A 18 -11.727 2.012 12.966 1.00 0.00 C ATOM 222 CG LYS A 18 -12.759 2.148 14.072 1.00 0.00 C ATOM 223 CD LYS A 18 -12.752 3.544 14.673 1.00 0.00 C ATOM 224 CE LYS A 18 -13.169 3.524 16.135 1.00 0.00 C ATOM 225 NZ LYS A 18 -14.649 3.560 16.291 1.00 0.00 N ATOM 0 H LYS A 18 -12.448 -0.475 14.088 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.817 0.449 11.802 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.908 2.705 13.158 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.180 2.308 12.020 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.750 1.927 13.675 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.557 1.414 14.852 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.755 3.974 14.584 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.428 4.187 14.110 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.775 2.627 16.612 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.729 4.378 16.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.892 3.545 17.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.023 4.429 15.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.068 2.732 15.822 1.00 0.00 H new ATOM 239 N HIS A 19 -8.770 0.598 13.232 1.00 0.00 N ATOM 240 CA HIS A 19 -7.553 0.458 14.024 1.00 0.00 C ATOM 241 C HIS A 19 -6.622 1.646 13.804 1.00 0.00 C ATOM 242 O HIS A 19 -6.200 1.917 12.680 1.00 0.00 O ATOM 243 CB HIS A 19 -6.833 -0.842 13.666 1.00 0.00 C ATOM 244 CG HIS A 19 -7.613 -2.073 14.010 1.00 0.00 C ATOM 245 ND1 HIS A 19 -7.843 -2.481 15.307 1.00 0.00 N ATOM 246 CD2 HIS A 19 -8.221 -2.987 13.217 1.00 0.00 C ATOM 247 CE1 HIS A 19 -8.556 -3.593 15.297 1.00 0.00 C ATOM 248 NE2 HIS A 19 -8.799 -3.921 14.041 1.00 0.00 N ATOM 0 H HIS A 19 -8.611 0.842 12.254 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.835 0.430 15.076 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.617 -0.846 12.598 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.875 -0.872 14.185 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.247 -2.982 12.137 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.884 -4.141 16.168 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.330 -4.736 13.733 1.00 0.00 H new ATOM 257 N ASP A 20 -6.305 2.352 14.884 1.00 0.00 N ATOM 258 CA ASP A 20 -5.424 3.511 14.810 1.00 0.00 C ATOM 259 C ASP A 20 -3.972 3.079 14.626 1.00 0.00 C ATOM 260 O ASP A 20 -3.418 2.359 15.457 1.00 0.00 O ATOM 261 CB ASP A 20 -5.559 4.364 16.072 1.00 0.00 C ATOM 262 CG ASP A 20 -6.994 4.770 16.345 1.00 0.00 C ATOM 263 OD1 ASP A 20 -7.875 3.884 16.331 1.00 0.00 O ATOM 264 OD2 ASP A 20 -7.236 5.973 16.574 1.00 0.00 O ATOM 0 H ASP A 20 -6.646 2.141 15.822 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.720 4.106 13.946 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.173 3.808 16.926 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.944 5.258 15.970 1.00 0.00 H new ATOM 269 N LEU A 21 -3.362 3.522 13.532 1.00 0.00 N ATOM 270 CA LEU A 21 -1.975 3.180 13.238 1.00 0.00 C ATOM 271 C LEU A 21 -1.136 4.437 13.033 1.00 0.00 C ATOM 272 O LEU A 21 -1.617 5.436 12.496 1.00 0.00 O ATOM 273 CB LEU A 21 -1.900 2.295 11.993 1.00 0.00 C ATOM 274 CG LEU A 21 -2.916 1.154 11.918 1.00 0.00 C ATOM 275 CD1 LEU A 21 -2.870 0.487 10.552 1.00 0.00 C ATOM 276 CD2 LEU A 21 -2.658 0.137 13.020 1.00 0.00 C ATOM 0 H LEU A 21 -3.806 4.119 12.834 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.573 2.632 14.090 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.028 2.927 11.114 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.899 1.868 11.935 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.913 1.571 12.062 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.599 -0.322 10.517 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.105 1.221 9.781 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.872 0.084 10.377 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.390 -0.668 12.951 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.655 -0.275 12.908 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.744 0.624 13.992 1.00 0.00 H new ATOM 288 N HIS A 22 0.121 4.381 13.463 1.00 0.00 N ATOM 289 CA HIS A 22 1.028 5.514 13.324 1.00 0.00 C ATOM 290 C HIS A 22 2.068 5.248 12.240 1.00 0.00 C ATOM 291 O HIS A 22 3.061 4.559 12.475 1.00 0.00 O ATOM 292 CB HIS A 22 1.723 5.805 14.654 1.00 0.00 C ATOM 293 CG HIS A 22 2.870 6.760 14.535 1.00 0.00 C ATOM 294 ND1 HIS A 22 3.992 6.692 15.333 1.00 0.00 N ATOM 295 CD2 HIS A 22 3.065 7.810 13.703 1.00 0.00 C ATOM 296 CE1 HIS A 22 4.827 7.659 14.999 1.00 0.00 C ATOM 297 NE2 HIS A 22 4.289 8.352 14.012 1.00 0.00 N ATOM 0 H HIS A 22 0.534 3.563 13.911 1.00 0.00 H new ATOM 0 HA HIS A 22 0.440 6.384 13.033 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.993 6.212 15.354 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.084 4.868 15.078 1.00 0.00 H new ATOM 0 HD1 HIS A 22 4.152 6.002 16.067 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.385 8.157 12.939 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.787 7.851 15.456 1.00 0.00 H new ATOM 306 N VAL A 23 1.834 5.798 11.053 1.00 0.00 N ATOM 307 CA VAL A 23 2.751 5.620 9.934 1.00 0.00 C ATOM 308 C VAL A 23 4.042 6.401 10.151 1.00 0.00 C ATOM 309 O VAL A 23 4.018 7.553 10.587 1.00 0.00 O ATOM 310 CB VAL A 23 2.110 6.068 8.607 1.00 0.00 C ATOM 311 CG1 VAL A 23 2.879 5.500 7.424 1.00 0.00 C ATOM 312 CG2 VAL A 23 0.648 5.649 8.553 1.00 0.00 C ATOM 0 H VAL A 23 1.017 6.371 10.842 1.00 0.00 H new ATOM 0 HA VAL A 23 2.979 4.556 9.878 1.00 0.00 H new ATOM 0 HB VAL A 23 2.155 7.156 8.551 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.412 5.827 6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.909 5.854 7.456 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.868 4.411 7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.211 5.974 7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.577 4.564 8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.107 6.109 9.380 1.00 0.00 H new ATOM 322 N THR A 24 5.169 5.767 9.844 1.00 0.00 N ATOM 323 CA THR A 24 6.471 6.402 10.006 1.00 0.00 C ATOM 324 C THR A 24 7.340 6.198 8.771 1.00 0.00 C ATOM 325 O THR A 24 7.147 5.246 8.014 1.00 0.00 O ATOM 326 CB THR A 24 7.214 5.853 11.239 1.00 0.00 C ATOM 327 OG1 THR A 24 7.267 4.423 11.182 1.00 0.00 O ATOM 328 CG2 THR A 24 6.527 6.290 12.524 1.00 0.00 C ATOM 0 H THR A 24 5.206 4.814 9.482 1.00 0.00 H new ATOM 0 HA THR A 24 6.288 7.467 10.146 1.00 0.00 H new ATOM 0 HB THR A 24 8.228 6.254 11.234 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.742 4.082 11.968 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.070 5.890 13.381 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.515 7.379 12.578 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.504 5.915 12.535 1.00 0.00 H new ATOM 336 N SER A 25 8.299 7.097 8.572 1.00 0.00 N ATOM 337 CA SER A 25 9.196 7.016 7.425 1.00 0.00 C ATOM 338 C SER A 25 10.500 6.320 7.803 1.00 0.00 C ATOM 339 O SER A 25 10.653 5.834 8.924 1.00 0.00 O ATOM 340 CB SER A 25 9.491 8.416 6.882 1.00 0.00 C ATOM 341 OG SER A 25 9.902 8.362 5.527 1.00 0.00 O ATOM 0 H SER A 25 8.475 7.889 9.190 1.00 0.00 H new ATOM 0 HA SER A 25 8.703 6.429 6.650 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.601 9.039 6.971 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.270 8.886 7.483 1.00 0.00 H new ATOM 0 HG SER A 25 9.776 9.241 5.112 1.00 0.00 H new ATOM 347 N GLN A 26 11.435 6.276 6.860 1.00 0.00 N ATOM 348 CA GLN A 26 12.726 5.638 7.094 1.00 0.00 C ATOM 349 C GLN A 26 13.721 6.627 7.693 1.00 0.00 C ATOM 350 O GLN A 26 14.927 6.517 7.473 1.00 0.00 O ATOM 351 CB GLN A 26 13.280 5.066 5.788 1.00 0.00 C ATOM 352 CG GLN A 26 12.251 4.296 4.976 1.00 0.00 C ATOM 353 CD GLN A 26 11.378 3.404 5.837 1.00 0.00 C ATOM 354 OE1 GLN A 26 10.173 3.292 5.612 1.00 0.00 O ATOM 355 NE2 GLN A 26 11.983 2.762 6.829 1.00 0.00 N ATOM 0 H GLN A 26 11.324 6.674 5.927 1.00 0.00 H new ATOM 0 HA GLN A 26 12.578 4.825 7.804 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.673 5.882 5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.118 4.407 6.016 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.621 5.000 4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.763 3.687 4.231 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.984 2.884 6.980 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.446 2.147 7.441 1.00 0.00 H new ATOM 364 N GLN A 27 13.207 7.591 8.449 1.00 0.00 N ATOM 365 CA GLN A 27 14.051 8.600 9.078 1.00 0.00 C ATOM 366 C GLN A 27 15.021 9.204 8.068 1.00 0.00 C ATOM 367 O GLN A 27 16.098 9.675 8.432 1.00 0.00 O ATOM 368 CB GLN A 27 14.827 7.989 10.246 1.00 0.00 C ATOM 369 CG GLN A 27 13.952 7.628 11.436 1.00 0.00 C ATOM 370 CD GLN A 27 14.685 6.795 12.468 1.00 0.00 C ATOM 371 OE1 GLN A 27 15.096 5.667 12.195 1.00 0.00 O ATOM 372 NE2 GLN A 27 14.854 7.348 13.664 1.00 0.00 N ATOM 0 H GLN A 27 12.211 7.695 8.641 1.00 0.00 H new ATOM 0 HA GLN A 27 13.406 9.394 9.455 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.342 7.093 9.900 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.594 8.693 10.570 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.588 8.542 11.905 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.078 7.079 11.086 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.497 8.286 13.847 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.341 6.835 14.399 1.00 0.00 H new ATOM 381 N GLY A 28 14.632 9.188 6.797 1.00 0.00 N ATOM 382 CA GLY A 28 15.479 9.736 5.754 1.00 0.00 C ATOM 383 C GLY A 28 14.701 10.567 4.753 1.00 0.00 C ATOM 384 O GLY A 28 15.227 11.528 4.192 1.00 0.00 O ATOM 0 H GLY A 28 13.745 8.805 6.471 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.256 10.352 6.207 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.982 8.921 5.233 1.00 0.00 H new ATOM 388 N SER A 29 13.445 10.196 4.527 1.00 0.00 N ATOM 389 CA SER A 29 12.595 10.910 3.582 1.00 0.00 C ATOM 390 C SER A 29 11.778 11.986 4.291 1.00 0.00 C ATOM 391 O SER A 29 11.247 11.760 5.379 1.00 0.00 O ATOM 392 CB SER A 29 11.661 9.934 2.865 1.00 0.00 C ATOM 393 OG SER A 29 12.306 9.331 1.756 1.00 0.00 O ATOM 0 H SER A 29 12.993 9.405 4.986 1.00 0.00 H new ATOM 0 HA SER A 29 13.238 11.393 2.846 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.332 9.163 3.561 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.768 10.461 2.528 1.00 0.00 H new ATOM 0 HG SER A 29 11.688 8.710 1.316 1.00 0.00 H new ATOM 399 N SER A 30 11.683 13.155 3.667 1.00 0.00 N ATOM 400 CA SER A 30 10.934 14.268 4.240 1.00 0.00 C ATOM 401 C SER A 30 9.588 13.796 4.782 1.00 0.00 C ATOM 402 O SER A 30 9.123 14.272 5.817 1.00 0.00 O ATOM 403 CB SER A 30 10.718 15.359 3.190 1.00 0.00 C ATOM 404 OG SER A 30 9.845 14.916 2.166 1.00 0.00 O ATOM 0 H SER A 30 12.115 13.357 2.765 1.00 0.00 H new ATOM 0 HA SER A 30 11.516 14.677 5.066 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.304 16.248 3.665 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.676 15.646 2.756 1.00 0.00 H new ATOM 0 HG SER A 30 9.722 15.632 1.508 1.00 0.00 H new ATOM 410 N GLU A 31 8.969 12.855 4.075 1.00 0.00 N ATOM 411 CA GLU A 31 7.677 12.319 4.485 1.00 0.00 C ATOM 412 C GLU A 31 7.539 10.856 4.072 1.00 0.00 C ATOM 413 O GLU A 31 8.082 10.418 3.057 1.00 0.00 O ATOM 414 CB GLU A 31 6.541 13.142 3.873 1.00 0.00 C ATOM 415 CG GLU A 31 6.599 13.227 2.357 1.00 0.00 C ATOM 416 CD GLU A 31 5.270 13.623 1.744 1.00 0.00 C ATOM 417 OE1 GLU A 31 4.267 12.924 2.002 1.00 0.00 O ATOM 418 OE2 GLU A 31 5.233 14.629 1.006 1.00 0.00 O ATOM 0 H GLU A 31 9.341 12.449 3.217 1.00 0.00 H new ATOM 0 HA GLU A 31 7.616 12.379 5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.587 12.704 4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.571 14.150 4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.359 13.952 2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.908 12.262 1.954 1.00 0.00 H new ATOM 425 N PRO A 32 6.797 10.082 4.877 1.00 0.00 N ATOM 426 CA PRO A 32 6.570 8.657 4.617 1.00 0.00 C ATOM 427 C PRO A 32 5.675 8.425 3.404 1.00 0.00 C ATOM 428 O PRO A 32 4.922 9.309 2.998 1.00 0.00 O ATOM 429 CB PRO A 32 5.880 8.169 5.893 1.00 0.00 C ATOM 430 CG PRO A 32 5.227 9.382 6.458 1.00 0.00 C ATOM 431 CD PRO A 32 6.121 10.538 6.103 1.00 0.00 C ATOM 0 HA PRO A 32 7.497 8.131 4.390 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.148 7.391 5.675 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.598 7.743 6.594 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.229 9.518 6.041 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.112 9.296 7.538 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.549 11.450 5.931 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.834 10.754 6.899 1.00 0.00 H new ATOM 439 N VAL A 33 5.762 7.228 2.831 1.00 0.00 N ATOM 440 CA VAL A 33 4.958 6.879 1.666 1.00 0.00 C ATOM 441 C VAL A 33 4.093 5.654 1.942 1.00 0.00 C ATOM 442 O VAL A 33 4.288 4.955 2.936 1.00 0.00 O ATOM 443 CB VAL A 33 5.843 6.602 0.436 1.00 0.00 C ATOM 444 CG1 VAL A 33 6.632 7.846 0.055 1.00 0.00 C ATOM 445 CG2 VAL A 33 6.775 5.431 0.704 1.00 0.00 C ATOM 0 H VAL A 33 6.381 6.485 3.155 1.00 0.00 H new ATOM 0 HA VAL A 33 4.315 7.734 1.457 1.00 0.00 H new ATOM 0 HB VAL A 33 5.198 6.339 -0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.251 7.631 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.942 8.656 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.268 8.143 0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.393 5.249 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.415 5.663 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.186 4.540 0.924 1.00 0.00 H new ATOM 455 N VAL A 34 3.137 5.399 1.055 1.00 0.00 N ATOM 456 CA VAL A 34 2.242 4.257 1.201 1.00 0.00 C ATOM 457 C VAL A 34 3.007 3.012 1.636 1.00 0.00 C ATOM 458 O VAL A 34 2.605 2.320 2.571 1.00 0.00 O ATOM 459 CB VAL A 34 1.497 3.956 -0.112 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.504 2.821 0.085 1.00 0.00 C ATOM 461 CG2 VAL A 34 0.797 5.205 -0.626 1.00 0.00 C ATOM 0 H VAL A 34 2.962 5.968 0.227 1.00 0.00 H new ATOM 0 HA VAL A 34 1.515 4.521 1.969 1.00 0.00 H new ATOM 0 HB VAL A 34 2.226 3.643 -0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.013 2.623 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.035 1.924 0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.223 3.102 0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.276 4.974 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.079 5.551 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.535 5.986 -0.809 1.00 0.00 H new ATOM 471 N GLN A 35 4.112 2.735 0.952 1.00 0.00 N ATOM 472 CA GLN A 35 4.934 1.572 1.268 1.00 0.00 C ATOM 473 C GLN A 35 4.979 1.330 2.773 1.00 0.00 C ATOM 474 O GLN A 35 4.786 0.206 3.237 1.00 0.00 O ATOM 475 CB GLN A 35 6.352 1.761 0.728 1.00 0.00 C ATOM 476 CG GLN A 35 7.116 0.459 0.554 1.00 0.00 C ATOM 477 CD GLN A 35 7.274 -0.303 1.855 1.00 0.00 C ATOM 478 OE1 GLN A 35 8.140 0.011 2.671 1.00 0.00 O ATOM 479 NE2 GLN A 35 6.434 -1.312 2.056 1.00 0.00 N ATOM 0 H GLN A 35 4.459 3.299 0.176 1.00 0.00 H new ATOM 0 HA GLN A 35 4.484 0.701 0.791 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.301 2.273 -0.233 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.906 2.410 1.406 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.596 -0.169 -0.170 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.102 0.673 0.141 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.731 -1.538 1.353 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.492 -1.861 2.914 1.00 0.00 H new ATOM 488 N ASP A 36 5.234 2.391 3.531 1.00 0.00 N ATOM 489 CA ASP A 36 5.304 2.295 4.984 1.00 0.00 C ATOM 490 C ASP A 36 3.930 1.991 5.575 1.00 0.00 C ATOM 491 O ASP A 36 3.803 1.180 6.493 1.00 0.00 O ATOM 492 CB ASP A 36 5.852 3.594 5.577 1.00 0.00 C ATOM 493 CG ASP A 36 7.367 3.605 5.645 1.00 0.00 C ATOM 494 OD1 ASP A 36 7.919 3.105 6.647 1.00 0.00 O ATOM 495 OD2 ASP A 36 8.000 4.115 4.697 1.00 0.00 O ATOM 0 H ASP A 36 5.396 3.328 3.163 1.00 0.00 H new ATOM 0 HA ASP A 36 5.978 1.477 5.237 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.512 4.437 4.975 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.445 3.733 6.579 1.00 0.00 H new ATOM 500 N LEU A 37 2.905 2.648 5.044 1.00 0.00 N ATOM 501 CA LEU A 37 1.540 2.450 5.519 1.00 0.00 C ATOM 502 C LEU A 37 1.139 0.982 5.423 1.00 0.00 C ATOM 503 O LEU A 37 0.601 0.412 6.372 1.00 0.00 O ATOM 504 CB LEU A 37 0.568 3.311 4.711 1.00 0.00 C ATOM 505 CG LEU A 37 -0.874 2.807 4.639 1.00 0.00 C ATOM 506 CD1 LEU A 37 -1.484 2.735 6.030 1.00 0.00 C ATOM 507 CD2 LEU A 37 -1.708 3.702 3.734 1.00 0.00 C ATOM 0 H LEU A 37 2.993 3.323 4.284 1.00 0.00 H new ATOM 0 HA LEU A 37 1.498 2.751 6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.560 4.314 5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.952 3.401 3.695 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.867 1.803 4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.510 2.374 5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.901 2.052 6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.478 3.727 6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.731 3.328 3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.708 4.718 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.283 3.702 2.730 1.00 0.00 H new ATOM 519 N ALA A 38 1.405 0.375 4.271 1.00 0.00 N ATOM 520 CA ALA A 38 1.075 -1.028 4.053 1.00 0.00 C ATOM 521 C ALA A 38 1.769 -1.921 5.076 1.00 0.00 C ATOM 522 O ALA A 38 1.180 -2.876 5.580 1.00 0.00 O ATOM 523 CB ALA A 38 1.456 -1.446 2.640 1.00 0.00 C ATOM 0 H ALA A 38 1.848 0.833 3.474 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.001 -1.146 4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.204 -2.496 2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.910 -0.836 1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.527 -1.306 2.495 1.00 0.00 H new ATOM 529 N GLN A 39 3.025 -1.604 5.377 1.00 0.00 N ATOM 530 CA GLN A 39 3.799 -2.379 6.339 1.00 0.00 C ATOM 531 C GLN A 39 3.195 -2.272 7.735 1.00 0.00 C ATOM 532 O GLN A 39 2.956 -3.281 8.399 1.00 0.00 O ATOM 533 CB GLN A 39 5.252 -1.901 6.360 1.00 0.00 C ATOM 534 CG GLN A 39 6.135 -2.595 5.335 1.00 0.00 C ATOM 535 CD GLN A 39 6.766 -3.864 5.873 1.00 0.00 C ATOM 536 OE1 GLN A 39 7.855 -3.835 6.447 1.00 0.00 O ATOM 537 NE2 GLN A 39 6.084 -4.988 5.689 1.00 0.00 N ATOM 0 H GLN A 39 3.527 -0.816 4.968 1.00 0.00 H new ATOM 0 HA GLN A 39 3.773 -3.424 6.031 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.275 -0.826 6.179 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.666 -2.066 7.355 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.542 -2.835 4.453 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.921 -1.911 5.015 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.185 -4.966 5.208 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.459 -5.874 6.029 1.00 0.00 H new ATOM 546 N VAL A 40 2.952 -1.041 8.177 1.00 0.00 N ATOM 547 CA VAL A 40 2.377 -0.802 9.495 1.00 0.00 C ATOM 548 C VAL A 40 1.183 -1.716 9.747 1.00 0.00 C ATOM 549 O VAL A 40 0.978 -2.195 10.862 1.00 0.00 O ATOM 550 CB VAL A 40 1.930 0.664 9.654 1.00 0.00 C ATOM 551 CG1 VAL A 40 1.086 0.831 10.908 1.00 0.00 C ATOM 552 CG2 VAL A 40 3.138 1.587 9.687 1.00 0.00 C ATOM 0 H VAL A 40 3.145 -0.195 7.641 1.00 0.00 H new ATOM 0 HA VAL A 40 3.157 -1.018 10.225 1.00 0.00 H new ATOM 0 HB VAL A 40 1.317 0.935 8.794 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.779 1.873 11.004 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.202 0.197 10.839 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.671 0.543 11.781 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.805 2.619 9.800 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.778 1.319 10.527 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.698 1.486 8.758 1.00 0.00 H new ATOM 562 N VAL A 41 0.396 -1.954 8.702 1.00 0.00 N ATOM 563 CA VAL A 41 -0.778 -2.812 8.810 1.00 0.00 C ATOM 564 C VAL A 41 -0.378 -4.265 9.041 1.00 0.00 C ATOM 565 O VAL A 41 -0.744 -4.866 10.050 1.00 0.00 O ATOM 566 CB VAL A 41 -1.653 -2.728 7.545 1.00 0.00 C ATOM 567 CG1 VAL A 41 -2.800 -3.723 7.621 1.00 0.00 C ATOM 568 CG2 VAL A 41 -2.176 -1.312 7.353 1.00 0.00 C ATOM 0 H VAL A 41 0.550 -1.565 7.772 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.352 -2.456 9.665 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.039 -2.985 6.682 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.407 -3.649 6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.400 -4.733 7.707 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.417 -3.501 8.492 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.792 -1.270 6.455 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.775 -1.025 8.217 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.336 -0.625 7.249 1.00 0.00 H new ATOM 578 N GLU A 42 0.378 -4.822 8.100 1.00 0.00 N ATOM 579 CA GLU A 42 0.828 -6.205 8.202 1.00 0.00 C ATOM 580 C GLU A 42 1.629 -6.423 9.483 1.00 0.00 C ATOM 581 O GLU A 42 1.727 -7.544 9.982 1.00 0.00 O ATOM 582 CB GLU A 42 1.677 -6.580 6.986 1.00 0.00 C ATOM 583 CG GLU A 42 2.185 -8.012 7.016 1.00 0.00 C ATOM 584 CD GLU A 42 3.219 -8.286 5.941 1.00 0.00 C ATOM 585 OE1 GLU A 42 4.179 -7.496 5.826 1.00 0.00 O ATOM 586 OE2 GLU A 42 3.067 -9.290 5.214 1.00 0.00 O ATOM 0 H GLU A 42 0.691 -4.337 7.259 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.053 -6.846 8.231 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.087 -6.432 6.082 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.529 -5.903 6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.619 -8.219 7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.345 -8.695 6.889 1.00 0.00 H new ATOM 593 N GLU A 43 2.200 -5.344 10.007 1.00 0.00 N ATOM 594 CA GLU A 43 2.994 -5.418 11.228 1.00 0.00 C ATOM 595 C GLU A 43 2.114 -5.236 12.461 1.00 0.00 C ATOM 596 O GLU A 43 2.351 -5.848 13.503 1.00 0.00 O ATOM 597 CB GLU A 43 4.094 -4.355 11.213 1.00 0.00 C ATOM 598 CG GLU A 43 5.154 -4.590 10.149 1.00 0.00 C ATOM 599 CD GLU A 43 6.171 -5.637 10.561 1.00 0.00 C ATOM 600 OE1 GLU A 43 6.380 -5.813 11.779 1.00 0.00 O ATOM 601 OE2 GLU A 43 6.758 -6.279 9.665 1.00 0.00 O ATOM 0 H GLU A 43 2.128 -4.409 9.606 1.00 0.00 H new ATOM 0 HA GLU A 43 3.453 -6.406 11.272 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.640 -3.377 11.052 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.574 -4.327 12.191 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.671 -4.902 9.223 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.668 -3.652 9.940 1.00 0.00 H new ATOM 608 N VAL A 44 1.096 -4.390 12.336 1.00 0.00 N ATOM 609 CA VAL A 44 0.180 -4.128 13.439 1.00 0.00 C ATOM 610 C VAL A 44 -1.042 -5.037 13.366 1.00 0.00 C ATOM 611 O VAL A 44 -1.266 -5.864 14.250 1.00 0.00 O ATOM 612 CB VAL A 44 -0.286 -2.660 13.444 1.00 0.00 C ATOM 613 CG1 VAL A 44 -1.388 -2.453 14.471 1.00 0.00 C ATOM 614 CG2 VAL A 44 0.887 -1.730 13.714 1.00 0.00 C ATOM 0 H VAL A 44 0.885 -3.875 11.481 1.00 0.00 H new ATOM 0 HA VAL A 44 0.726 -4.332 14.360 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.690 -2.422 12.460 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.704 -1.410 14.460 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.237 -3.092 14.228 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.014 -2.708 15.462 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.540 -0.697 13.714 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.323 -1.966 14.685 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.640 -1.860 12.937 1.00 0.00 H new ATOM 624 N ILE A 45 -1.829 -4.877 12.307 1.00 0.00 N ATOM 625 CA ILE A 45 -3.028 -5.685 12.118 1.00 0.00 C ATOM 626 C ILE A 45 -2.681 -7.166 12.011 1.00 0.00 C ATOM 627 O ILE A 45 -3.265 -8.002 12.699 1.00 0.00 O ATOM 628 CB ILE A 45 -3.802 -5.258 10.857 1.00 0.00 C ATOM 629 CG1 ILE A 45 -3.961 -3.736 10.821 1.00 0.00 C ATOM 630 CG2 ILE A 45 -5.161 -5.939 10.814 1.00 0.00 C ATOM 631 CD1 ILE A 45 -4.994 -3.260 9.824 1.00 0.00 C ATOM 0 H ILE A 45 -1.658 -4.196 11.567 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.658 -5.524 12.993 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.235 -5.566 9.979 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.238 -3.384 11.815 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.999 -3.284 10.579 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.696 -5.627 9.917 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.026 -7.020 10.798 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.737 -5.658 11.696 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.053 -2.172 9.853 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.708 -3.581 8.822 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.966 -3.683 10.077 1.00 0.00 H new ATOM 643 N GLY A 46 -1.724 -7.483 11.144 1.00 0.00 N ATOM 644 CA GLY A 46 -1.315 -8.864 10.964 1.00 0.00 C ATOM 645 C GLY A 46 -1.726 -9.419 9.615 1.00 0.00 C ATOM 646 O GLY A 46 -1.602 -10.618 9.364 1.00 0.00 O ATOM 0 H GLY A 46 -1.225 -6.809 10.564 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.232 -8.936 11.068 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.752 -9.475 11.753 1.00 0.00 H new ATOM 650 N VAL A 47 -2.220 -8.546 8.742 1.00 0.00 N ATOM 651 CA VAL A 47 -2.652 -8.955 7.412 1.00 0.00 C ATOM 652 C VAL A 47 -1.584 -8.648 6.368 1.00 0.00 C ATOM 653 O VAL A 47 -1.018 -7.555 6.326 1.00 0.00 O ATOM 654 CB VAL A 47 -3.965 -8.257 7.008 1.00 0.00 C ATOM 655 CG1 VAL A 47 -4.308 -8.563 5.558 1.00 0.00 C ATOM 656 CG2 VAL A 47 -5.097 -8.677 7.933 1.00 0.00 C ATOM 0 H VAL A 47 -2.331 -7.550 8.933 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.819 -10.031 7.451 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.829 -7.180 7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.238 -8.062 5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.506 -8.208 4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.426 -9.639 5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.017 -8.175 7.634 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.236 -9.756 7.871 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.850 -8.401 8.958 1.00 0.00 H new ATOM 666 N PRO A 48 -1.301 -9.633 5.504 1.00 0.00 N ATOM 667 CA PRO A 48 -0.299 -9.491 4.443 1.00 0.00 C ATOM 668 C PRO A 48 -0.746 -8.528 3.349 1.00 0.00 C ATOM 669 O PRO A 48 -1.939 -8.387 3.083 1.00 0.00 O ATOM 670 CB PRO A 48 -0.170 -10.911 3.885 1.00 0.00 C ATOM 671 CG PRO A 48 -1.475 -11.560 4.195 1.00 0.00 C ATOM 672 CD PRO A 48 -1.936 -10.961 5.495 1.00 0.00 C ATOM 0 HA PRO A 48 0.637 -9.079 4.819 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.021 -10.899 2.812 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.658 -11.445 4.350 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.200 -11.377 3.402 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.363 -12.641 4.281 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -3.023 -10.887 5.540 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.622 -11.562 6.348 1.00 0.00 H new ATOM 680 N GLN A 49 0.220 -7.867 2.718 1.00 0.00 N ATOM 681 CA GLN A 49 -0.076 -6.916 1.653 1.00 0.00 C ATOM 682 C GLN A 49 -0.847 -7.588 0.522 1.00 0.00 C ATOM 683 O GLN A 49 -1.370 -6.919 -0.369 1.00 0.00 O ATOM 684 CB GLN A 49 1.218 -6.306 1.112 1.00 0.00 C ATOM 685 CG GLN A 49 2.080 -5.658 2.184 1.00 0.00 C ATOM 686 CD GLN A 49 3.246 -4.881 1.604 1.00 0.00 C ATOM 687 OE1 GLN A 49 3.352 -4.712 0.389 1.00 0.00 O ATOM 688 NE2 GLN A 49 4.129 -4.402 2.473 1.00 0.00 N ATOM 0 H GLN A 49 1.213 -7.973 2.926 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.697 -6.123 2.070 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.796 -7.084 0.614 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.970 -5.560 0.357 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.464 -4.988 2.784 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.460 -6.429 2.855 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.002 -4.566 3.472 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.934 -3.870 2.142 1.00 0.00 H new ATOM 697 N SER A 50 -0.912 -8.915 0.563 1.00 0.00 N ATOM 698 CA SER A 50 -1.616 -9.678 -0.461 1.00 0.00 C ATOM 699 C SER A 50 -3.080 -9.878 -0.080 1.00 0.00 C ATOM 700 O SER A 50 -3.918 -10.183 -0.928 1.00 0.00 O ATOM 701 CB SER A 50 -0.941 -11.036 -0.668 1.00 0.00 C ATOM 702 OG SER A 50 0.289 -10.894 -1.357 1.00 0.00 O ATOM 0 H SER A 50 -0.486 -9.484 1.294 1.00 0.00 H new ATOM 0 HA SER A 50 -1.575 -9.113 -1.392 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.768 -11.511 0.298 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.604 -11.693 -1.232 1.00 0.00 H new ATOM 0 HG SER A 50 0.701 -11.775 -1.475 1.00 0.00 H new ATOM 708 N PHE A 51 -3.380 -9.703 1.203 1.00 0.00 N ATOM 709 CA PHE A 51 -4.741 -9.865 1.699 1.00 0.00 C ATOM 710 C PHE A 51 -5.368 -8.511 2.020 1.00 0.00 C ATOM 711 O PHE A 51 -6.580 -8.335 1.907 1.00 0.00 O ATOM 712 CB PHE A 51 -4.751 -10.753 2.945 1.00 0.00 C ATOM 713 CG PHE A 51 -4.558 -12.211 2.643 1.00 0.00 C ATOM 714 CD1 PHE A 51 -3.460 -12.642 1.916 1.00 0.00 C ATOM 715 CD2 PHE A 51 -5.475 -13.151 3.086 1.00 0.00 C ATOM 716 CE1 PHE A 51 -3.279 -13.984 1.637 1.00 0.00 C ATOM 717 CE2 PHE A 51 -5.299 -14.494 2.810 1.00 0.00 C ATOM 718 CZ PHE A 51 -4.200 -14.911 2.084 1.00 0.00 C ATOM 0 H PHE A 51 -2.698 -9.449 1.918 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.331 -10.343 0.917 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.964 -10.423 3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.698 -10.621 3.468 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.737 -11.921 1.563 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.337 -12.831 3.653 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.418 -14.307 1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.020 -15.217 3.162 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.061 -15.960 1.866 1.00 0.00 H new ATOM 728 N GLN A 52 -4.531 -7.559 2.421 1.00 0.00 N ATOM 729 CA GLN A 52 -5.003 -6.222 2.760 1.00 0.00 C ATOM 730 C GLN A 52 -5.047 -5.330 1.524 1.00 0.00 C ATOM 731 O GLN A 52 -4.176 -5.408 0.657 1.00 0.00 O ATOM 732 CB GLN A 52 -4.100 -5.594 3.824 1.00 0.00 C ATOM 733 CG GLN A 52 -2.670 -5.374 3.355 1.00 0.00 C ATOM 734 CD GLN A 52 -2.014 -4.182 4.023 1.00 0.00 C ATOM 735 OE1 GLN A 52 -2.571 -3.084 4.046 1.00 0.00 O ATOM 736 NE2 GLN A 52 -0.823 -4.391 4.572 1.00 0.00 N ATOM 0 H GLN A 52 -3.524 -7.689 2.519 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.014 -6.311 3.157 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.524 -4.638 4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.090 -6.236 4.705 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.083 -6.269 3.560 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.664 -5.229 2.275 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.398 -5.317 4.530 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.334 -3.625 5.036 1.00 0.00 H new ATOM 745 N LYS A 53 -6.068 -4.483 1.447 1.00 0.00 N ATOM 746 CA LYS A 53 -6.227 -3.576 0.318 1.00 0.00 C ATOM 747 C LYS A 53 -6.585 -2.171 0.794 1.00 0.00 C ATOM 748 O LYS A 53 -7.674 -1.943 1.323 1.00 0.00 O ATOM 749 CB LYS A 53 -7.309 -4.095 -0.632 1.00 0.00 C ATOM 750 CG LYS A 53 -7.505 -3.227 -1.863 1.00 0.00 C ATOM 751 CD LYS A 53 -8.932 -3.305 -2.379 1.00 0.00 C ATOM 752 CE LYS A 53 -9.280 -4.711 -2.846 1.00 0.00 C ATOM 753 NZ LYS A 53 -10.286 -4.697 -3.943 1.00 0.00 N ATOM 0 H LYS A 53 -6.798 -4.406 2.155 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.277 -3.529 -0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.049 -5.105 -0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.253 -4.163 -0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.260 -2.192 -1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.816 -3.544 -2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.622 -3.001 -1.592 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.061 -2.604 -3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.376 -5.214 -3.189 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.667 -5.288 -2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.497 -5.673 -4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.158 -4.240 -3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.907 -4.168 -4.755 1.00 0.00 H new ATOM 767 N LEU A 54 -5.664 -1.234 0.602 1.00 0.00 N ATOM 768 CA LEU A 54 -5.883 0.149 1.011 1.00 0.00 C ATOM 769 C LEU A 54 -6.778 0.877 0.012 1.00 0.00 C ATOM 770 O LEU A 54 -6.586 0.772 -1.199 1.00 0.00 O ATOM 771 CB LEU A 54 -4.546 0.881 1.142 1.00 0.00 C ATOM 772 CG LEU A 54 -3.901 0.857 2.528 1.00 0.00 C ATOM 773 CD1 LEU A 54 -4.849 1.435 3.568 1.00 0.00 C ATOM 774 CD2 LEU A 54 -3.495 -0.561 2.903 1.00 0.00 C ATOM 0 H LEU A 54 -4.758 -1.406 0.166 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.382 0.141 1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.845 0.446 0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.694 1.921 0.850 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.004 1.475 2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.373 1.410 4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.090 2.466 3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.765 0.844 3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.038 -0.559 3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.377 -1.202 2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.779 -0.940 2.173 1.00 0.00 H new ATOM 786 N ILE A 55 -7.754 1.615 0.529 1.00 0.00 N ATOM 787 CA ILE A 55 -8.676 2.363 -0.317 1.00 0.00 C ATOM 788 C ILE A 55 -8.996 3.725 0.288 1.00 0.00 C ATOM 789 O ILE A 55 -9.380 3.824 1.454 1.00 0.00 O ATOM 790 CB ILE A 55 -9.990 1.590 -0.537 1.00 0.00 C ATOM 791 CG1 ILE A 55 -9.696 0.129 -0.882 1.00 0.00 C ATOM 792 CG2 ILE A 55 -10.811 2.245 -1.637 1.00 0.00 C ATOM 793 CD1 ILE A 55 -10.934 -0.739 -0.942 1.00 0.00 C ATOM 0 H ILE A 55 -7.927 1.711 1.530 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.180 2.503 -1.278 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.569 1.616 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.186 0.087 -1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.011 -0.280 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.737 1.688 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.046 3.271 -1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.240 2.246 -2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.650 -1.761 -1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.434 -0.727 0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.611 -0.354 -1.704 1.00 0.00 H new ATOM 805 N PHE A 56 -8.837 4.774 -0.512 1.00 0.00 N ATOM 806 CA PHE A 56 -9.109 6.132 -0.056 1.00 0.00 C ATOM 807 C PHE A 56 -9.692 6.978 -1.184 1.00 0.00 C ATOM 808 O PHE A 56 -9.113 7.074 -2.267 1.00 0.00 O ATOM 809 CB PHE A 56 -7.829 6.781 0.474 1.00 0.00 C ATOM 810 CG PHE A 56 -8.073 8.053 1.235 1.00 0.00 C ATOM 811 CD1 PHE A 56 -8.508 8.017 2.550 1.00 0.00 C ATOM 812 CD2 PHE A 56 -7.867 9.285 0.635 1.00 0.00 C ATOM 813 CE1 PHE A 56 -8.734 9.186 3.252 1.00 0.00 C ATOM 814 CE2 PHE A 56 -8.090 10.458 1.332 1.00 0.00 C ATOM 815 CZ PHE A 56 -8.523 10.408 2.643 1.00 0.00 C ATOM 0 H PHE A 56 -8.521 4.710 -1.480 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.841 6.078 0.750 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.313 6.072 1.122 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.163 6.990 -0.363 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.672 7.065 3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.528 9.329 -0.390 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.075 9.144 4.276 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.926 11.412 0.852 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.696 11.323 3.191 1.00 0.00 H new ATOM 825 N LYS A 57 -10.843 7.589 -0.924 1.00 0.00 N ATOM 826 CA LYS A 57 -11.506 8.428 -1.915 1.00 0.00 C ATOM 827 C LYS A 57 -11.905 7.611 -3.140 1.00 0.00 C ATOM 828 O LYS A 57 -12.044 8.148 -4.238 1.00 0.00 O ATOM 829 CB LYS A 57 -10.589 9.580 -2.334 1.00 0.00 C ATOM 830 CG LYS A 57 -10.672 10.788 -1.416 1.00 0.00 C ATOM 831 CD LYS A 57 -9.626 11.831 -1.772 1.00 0.00 C ATOM 832 CE LYS A 57 -10.012 13.207 -1.250 1.00 0.00 C ATOM 833 NZ LYS A 57 -9.217 14.287 -1.897 1.00 0.00 N ATOM 0 H LYS A 57 -11.336 7.519 -0.034 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.409 8.837 -1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.559 9.223 -2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.845 9.887 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.666 11.230 -1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.534 10.471 -0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.662 11.539 -1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.505 11.872 -2.854 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.073 13.379 -1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.862 13.242 -0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.509 15.209 -1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.206 14.137 -1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.380 14.270 -2.924 1.00 0.00 H new ATOM 847 N GLY A 58 -12.088 6.309 -2.943 1.00 0.00 N ATOM 848 CA GLY A 58 -12.471 5.439 -4.040 1.00 0.00 C ATOM 849 C GLY A 58 -11.295 5.066 -4.921 1.00 0.00 C ATOM 850 O GLY A 58 -11.470 4.714 -6.088 1.00 0.00 O ATOM 0 H GLY A 58 -11.978 5.841 -2.043 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.923 4.532 -3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.231 5.934 -4.644 1.00 0.00 H new ATOM 854 N LYS A 59 -10.092 5.142 -4.362 1.00 0.00 N ATOM 855 CA LYS A 59 -8.881 4.809 -5.104 1.00 0.00 C ATOM 856 C LYS A 59 -8.027 3.810 -4.331 1.00 0.00 C ATOM 857 O LYS A 59 -7.608 4.077 -3.205 1.00 0.00 O ATOM 858 CB LYS A 59 -8.070 6.075 -5.390 1.00 0.00 C ATOM 859 CG LYS A 59 -8.695 6.973 -6.444 1.00 0.00 C ATOM 860 CD LYS A 59 -8.386 6.482 -7.849 1.00 0.00 C ATOM 861 CE LYS A 59 -7.023 6.964 -8.320 1.00 0.00 C ATOM 862 NZ LYS A 59 -7.017 8.427 -8.598 1.00 0.00 N ATOM 0 H LYS A 59 -9.929 5.431 -3.398 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.177 4.353 -6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.956 6.640 -4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.069 5.790 -5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.775 7.009 -6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.323 7.991 -6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.415 5.393 -7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.155 6.834 -8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.275 6.736 -7.561 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.738 6.422 -9.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.206 8.662 -9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.899 8.692 -9.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.942 8.950 -7.702 1.00 0.00 H new ATOM 876 N SER A 60 -7.773 2.658 -4.943 1.00 0.00 N ATOM 877 CA SER A 60 -6.970 1.617 -4.311 1.00 0.00 C ATOM 878 C SER A 60 -5.507 2.040 -4.219 1.00 0.00 C ATOM 879 O SER A 60 -4.819 2.162 -5.233 1.00 0.00 O ATOM 880 CB SER A 60 -7.086 0.308 -5.095 1.00 0.00 C ATOM 881 OG SER A 60 -7.198 0.554 -6.486 1.00 0.00 O ATOM 0 H SER A 60 -8.111 2.422 -5.876 1.00 0.00 H new ATOM 0 HA SER A 60 -7.349 1.462 -3.301 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.212 -0.314 -4.902 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.956 -0.250 -4.750 1.00 0.00 H new ATOM 0 HG SER A 60 -7.269 -0.298 -6.964 1.00 0.00 H new ATOM 887 N LEU A 61 -5.039 2.263 -2.996 1.00 0.00 N ATOM 888 CA LEU A 61 -3.657 2.672 -2.768 1.00 0.00 C ATOM 889 C LEU A 61 -2.697 1.515 -3.024 1.00 0.00 C ATOM 890 O LEU A 61 -2.423 0.712 -2.131 1.00 0.00 O ATOM 891 CB LEU A 61 -3.486 3.186 -1.338 1.00 0.00 C ATOM 892 CG LEU A 61 -4.593 4.103 -0.817 1.00 0.00 C ATOM 893 CD1 LEU A 61 -4.289 4.553 0.604 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.766 5.305 -1.733 1.00 0.00 C ATOM 0 H LEU A 61 -5.596 2.168 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.422 3.475 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.410 2.327 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.539 3.722 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.528 3.542 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.088 5.205 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.217 3.681 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.344 5.096 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.558 5.946 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.833 5.867 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.031 4.965 -2.734 1.00 0.00 H new ATOM 906 N LYS A 62 -2.187 1.435 -4.248 1.00 0.00 N ATOM 907 CA LYS A 62 -1.254 0.379 -4.621 1.00 0.00 C ATOM 908 C LYS A 62 0.106 0.960 -4.993 1.00 0.00 C ATOM 909 O LYS A 62 0.995 0.241 -5.448 1.00 0.00 O ATOM 910 CB LYS A 62 -1.812 -0.431 -5.794 1.00 0.00 C ATOM 911 CG LYS A 62 -2.179 0.417 -6.999 1.00 0.00 C ATOM 912 CD LYS A 62 -2.735 -0.432 -8.130 1.00 0.00 C ATOM 913 CE LYS A 62 -4.249 -0.552 -8.044 1.00 0.00 C ATOM 914 NZ LYS A 62 -4.784 -1.534 -9.027 1.00 0.00 N ATOM 0 H LYS A 62 -2.404 2.090 -4.999 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.125 -0.278 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.074 -1.175 -6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.696 -0.976 -5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.917 1.165 -6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.298 0.957 -7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.458 0.009 -9.088 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.288 -1.425 -8.095 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.533 -0.856 -7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.701 0.424 -8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.819 -1.587 -8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.535 -1.231 -9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.372 -2.471 -8.841 1.00 0.00 H new ATOM 928 N GLU A 63 0.261 2.266 -4.795 1.00 0.00 N ATOM 929 CA GLU A 63 1.514 2.942 -5.109 1.00 0.00 C ATOM 930 C GLU A 63 2.377 3.098 -3.860 1.00 0.00 C ATOM 931 O GLU A 63 2.153 3.994 -3.047 1.00 0.00 O ATOM 932 CB GLU A 63 1.238 4.315 -5.726 1.00 0.00 C ATOM 933 CG GLU A 63 0.516 4.248 -7.061 1.00 0.00 C ATOM 934 CD GLU A 63 1.470 4.167 -8.237 1.00 0.00 C ATOM 935 OE1 GLU A 63 2.076 3.093 -8.435 1.00 0.00 O ATOM 936 OE2 GLU A 63 1.610 5.176 -8.958 1.00 0.00 O ATOM 0 H GLU A 63 -0.465 2.876 -4.419 1.00 0.00 H new ATOM 0 HA GLU A 63 2.056 2.330 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.642 4.904 -5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.183 4.841 -5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.142 3.379 -7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.117 5.128 -7.172 1.00 0.00 H new ATOM 943 N MET A 64 3.362 2.218 -3.714 1.00 0.00 N ATOM 944 CA MET A 64 4.259 2.258 -2.565 1.00 0.00 C ATOM 945 C MET A 64 5.226 3.433 -2.671 1.00 0.00 C ATOM 946 O MET A 64 5.532 4.087 -1.674 1.00 0.00 O ATOM 947 CB MET A 64 5.040 0.947 -2.455 1.00 0.00 C ATOM 948 CG MET A 64 4.176 -0.291 -2.629 1.00 0.00 C ATOM 949 SD MET A 64 3.489 -0.883 -1.070 1.00 0.00 S ATOM 950 CE MET A 64 1.770 -0.417 -1.260 1.00 0.00 C ATOM 0 H MET A 64 3.559 1.468 -4.377 1.00 0.00 H new ATOM 0 HA MET A 64 3.654 2.388 -1.668 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.828 0.939 -3.208 1.00 0.00 H new ATOM 0 HB3 MET A 64 5.529 0.905 -1.482 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.362 -0.067 -3.319 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.771 -1.083 -3.084 1.00 0.00 H new ATOM 0 HE1 MET A 64 1.315 -0.295 -0.277 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.706 0.523 -1.808 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.241 -1.195 -1.811 1.00 0.00 H new ATOM 960 N GLU A 65 5.703 3.694 -3.884 1.00 0.00 N ATOM 961 CA GLU A 65 6.636 4.790 -4.117 1.00 0.00 C ATOM 962 C GLU A 65 5.906 6.129 -4.147 1.00 0.00 C ATOM 963 O GLU A 65 6.493 7.163 -4.471 1.00 0.00 O ATOM 964 CB GLU A 65 7.389 4.577 -5.432 1.00 0.00 C ATOM 965 CG GLU A 65 6.478 4.463 -6.643 1.00 0.00 C ATOM 966 CD GLU A 65 7.232 4.577 -7.954 1.00 0.00 C ATOM 967 OE1 GLU A 65 8.385 4.100 -8.017 1.00 0.00 O ATOM 968 OE2 GLU A 65 6.671 5.143 -8.915 1.00 0.00 O ATOM 0 H GLU A 65 5.459 3.162 -4.719 1.00 0.00 H new ATOM 0 HA GLU A 65 7.352 4.805 -3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.080 5.407 -5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.991 3.672 -5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.955 3.507 -6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.718 5.243 -6.596 1.00 0.00 H new ATOM 975 N THR A 66 4.621 6.104 -3.808 1.00 0.00 N ATOM 976 CA THR A 66 3.809 7.315 -3.798 1.00 0.00 C ATOM 977 C THR A 66 3.567 7.802 -2.374 1.00 0.00 C ATOM 978 O THR A 66 3.193 7.036 -1.485 1.00 0.00 O ATOM 979 CB THR A 66 2.452 7.086 -4.488 1.00 0.00 C ATOM 980 OG1 THR A 66 2.617 7.097 -5.910 1.00 0.00 O ATOM 981 CG2 THR A 66 1.451 8.157 -4.081 1.00 0.00 C ATOM 0 H THR A 66 4.120 5.258 -3.537 1.00 0.00 H new ATOM 0 HA THR A 66 4.365 8.074 -4.349 1.00 0.00 H new ATOM 0 HB THR A 66 2.070 6.115 -4.175 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.749 6.949 -6.341 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.500 7.975 -4.581 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.305 8.127 -3.001 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.830 9.138 -4.369 1.00 0.00 H new ATOM 989 N PRO A 67 3.784 9.106 -2.149 1.00 0.00 N ATOM 990 CA PRO A 67 3.594 9.725 -0.834 1.00 0.00 C ATOM 991 C PRO A 67 2.124 9.801 -0.435 1.00 0.00 C ATOM 992 O PRO A 67 1.258 10.076 -1.267 1.00 0.00 O ATOM 993 CB PRO A 67 4.171 11.131 -1.016 1.00 0.00 C ATOM 994 CG PRO A 67 4.050 11.404 -2.476 1.00 0.00 C ATOM 995 CD PRO A 67 4.231 10.078 -3.161 1.00 0.00 C ATOM 0 HA PRO A 67 4.074 9.151 -0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.619 11.865 -0.429 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.210 11.178 -0.689 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.078 11.836 -2.713 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.805 12.119 -2.803 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.636 10.012 -4.072 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.270 9.912 -3.446 1.00 0.00 H new ATOM 1003 N LEU A 68 1.848 9.555 0.841 1.00 0.00 N ATOM 1004 CA LEU A 68 0.482 9.596 1.350 1.00 0.00 C ATOM 1005 C LEU A 68 -0.120 10.988 1.183 1.00 0.00 C ATOM 1006 O LEU A 68 -1.340 11.145 1.127 1.00 0.00 O ATOM 1007 CB LEU A 68 0.453 9.189 2.824 1.00 0.00 C ATOM 1008 CG LEU A 68 1.065 7.827 3.156 1.00 0.00 C ATOM 1009 CD1 LEU A 68 1.580 7.809 4.587 1.00 0.00 C ATOM 1010 CD2 LEU A 68 0.047 6.718 2.939 1.00 0.00 C ATOM 0 H LEU A 68 2.552 9.325 1.542 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.115 8.890 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.977 9.951 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.584 9.191 3.161 1.00 0.00 H new ATOM 0 HG LEU A 68 1.907 7.655 2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.012 6.833 4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.342 8.579 4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.755 8.003 5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.500 5.756 3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.816 6.885 3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.274 6.717 1.897 1.00 0.00 H new ATOM 1022 N SER A 69 0.744 11.994 1.102 1.00 0.00 N ATOM 1023 CA SER A 69 0.297 13.374 0.943 1.00 0.00 C ATOM 1024 C SER A 69 -0.278 13.601 -0.452 1.00 0.00 C ATOM 1025 O SER A 69 -1.182 14.415 -0.637 1.00 0.00 O ATOM 1026 CB SER A 69 1.457 14.339 1.192 1.00 0.00 C ATOM 1027 OG SER A 69 1.097 15.667 0.853 1.00 0.00 O ATOM 0 H SER A 69 1.757 11.881 1.144 1.00 0.00 H new ATOM 0 HA SER A 69 -0.488 13.563 1.676 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.752 14.295 2.240 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.322 14.032 0.604 1.00 0.00 H new ATOM 0 HG SER A 69 1.855 16.265 1.023 1.00 0.00 H new ATOM 1033 N ALA A 70 0.255 12.876 -1.430 1.00 0.00 N ATOM 1034 CA ALA A 70 -0.205 12.996 -2.808 1.00 0.00 C ATOM 1035 C ALA A 70 -1.579 12.358 -2.986 1.00 0.00 C ATOM 1036 O ALA A 70 -2.439 12.896 -3.684 1.00 0.00 O ATOM 1037 CB ALA A 70 0.800 12.362 -3.758 1.00 0.00 C ATOM 0 H ALA A 70 1.006 12.199 -1.293 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.292 14.057 -3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.443 12.459 -4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.762 12.866 -3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.916 11.306 -3.513 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.778 11.208 -2.351 1.00 0.00 N ATOM 1044 CA LEU A 71 -3.048 10.495 -2.440 1.00 0.00 C ATOM 1045 C LEU A 71 -4.152 11.259 -1.717 1.00 0.00 C ATOM 1046 O LEU A 71 -5.337 11.052 -1.977 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.910 9.092 -1.846 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.851 8.194 -2.486 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.447 7.080 -1.531 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -2.363 7.615 -3.797 1.00 0.00 C ATOM 0 H LEU A 71 -1.077 10.750 -1.769 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.318 10.412 -3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.682 9.189 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.875 8.591 -1.920 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.970 8.800 -2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.693 6.451 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.038 7.514 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.321 6.476 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.596 6.979 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.260 7.025 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.601 8.426 -4.485 1.00 0.00 H new ATOM 1062 N GLY A 72 -3.756 12.145 -0.809 1.00 0.00 N ATOM 1063 CA GLY A 72 -4.724 12.928 -0.064 1.00 0.00 C ATOM 1064 C GLY A 72 -4.741 12.580 1.411 1.00 0.00 C ATOM 1065 O GLY A 72 -5.414 13.240 2.204 1.00 0.00 O ATOM 0 H GLY A 72 -2.781 12.335 -0.576 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.497 13.988 -0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.717 12.767 -0.483 1.00 0.00 H new ATOM 1069 N ILE A 73 -4.000 11.541 1.780 1.00 0.00 N ATOM 1070 CA ILE A 73 -3.933 11.106 3.170 1.00 0.00 C ATOM 1071 C ILE A 73 -2.916 11.929 3.955 1.00 0.00 C ATOM 1072 O ILE A 73 -1.821 12.208 3.468 1.00 0.00 O ATOM 1073 CB ILE A 73 -3.561 9.615 3.276 1.00 0.00 C ATOM 1074 CG1 ILE A 73 -4.597 8.756 2.549 1.00 0.00 C ATOM 1075 CG2 ILE A 73 -3.450 9.200 4.735 1.00 0.00 C ATOM 1076 CD1 ILE A 73 -4.036 7.458 2.011 1.00 0.00 C ATOM 0 H ILE A 73 -3.438 10.985 1.136 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.925 11.256 3.596 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.592 9.462 2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.416 8.533 3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.018 9.330 1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.187 8.144 4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.678 9.794 5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.405 9.364 5.234 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.826 6.901 1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.236 7.673 1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.640 6.864 2.835 1.00 0.00 H new ATOM 1088 N GLN A 74 -3.287 12.312 5.172 1.00 0.00 N ATOM 1089 CA GLN A 74 -2.407 13.102 6.025 1.00 0.00 C ATOM 1090 C GLN A 74 -2.623 12.760 7.495 1.00 0.00 C ATOM 1091 O GLN A 74 -3.455 11.917 7.831 1.00 0.00 O ATOM 1092 CB GLN A 74 -2.646 14.596 5.796 1.00 0.00 C ATOM 1093 CG GLN A 74 -1.841 15.170 4.641 1.00 0.00 C ATOM 1094 CD GLN A 74 -2.514 16.367 3.998 1.00 0.00 C ATOM 1095 OE1 GLN A 74 -3.606 16.253 3.440 1.00 0.00 O ATOM 1096 NE2 GLN A 74 -1.866 17.523 4.074 1.00 0.00 N ATOM 0 H GLN A 74 -4.190 12.088 5.590 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.377 12.862 5.763 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.707 14.761 5.606 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.397 15.139 6.707 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -0.855 15.463 5.001 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.689 14.396 3.889 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.963 17.571 4.546 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.271 18.363 3.660 1.00 0.00 H new ATOM 1105 N ASP A 75 -1.870 13.420 8.368 1.00 0.00 N ATOM 1106 CA ASP A 75 -1.979 13.187 9.803 1.00 0.00 C ATOM 1107 C ASP A 75 -3.371 13.553 10.309 1.00 0.00 C ATOM 1108 O ASP A 75 -3.685 14.728 10.496 1.00 0.00 O ATOM 1109 CB ASP A 75 -0.921 13.996 10.555 1.00 0.00 C ATOM 1110 CG ASP A 75 0.333 14.215 9.732 1.00 0.00 C ATOM 1111 OD1 ASP A 75 0.244 14.892 8.686 1.00 0.00 O ATOM 1112 OD2 ASP A 75 1.402 13.710 10.133 1.00 0.00 O ATOM 0 H ASP A 75 -1.177 14.121 8.106 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.812 12.126 9.987 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.340 14.962 10.838 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.660 13.479 11.478 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.203 12.539 10.526 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.552 12.775 11.006 1.00 0.00 C ATOM 1119 C GLY A 76 -6.605 12.427 9.972 1.00 0.00 C ATOM 1120 O GLY A 76 -7.573 13.165 9.790 1.00 0.00 O ATOM 0 H GLY A 76 -3.967 11.558 10.378 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.722 12.185 11.906 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.656 13.823 11.287 1.00 0.00 H new ATOM 1124 N CYS A 77 -6.415 11.301 9.293 1.00 0.00 N ATOM 1125 CA CYS A 77 -7.355 10.858 8.270 1.00 0.00 C ATOM 1126 C CYS A 77 -7.794 9.419 8.522 1.00 0.00 C ATOM 1127 O CYS A 77 -7.145 8.682 9.264 1.00 0.00 O ATOM 1128 CB CYS A 77 -6.723 10.975 6.882 1.00 0.00 C ATOM 1129 SG CYS A 77 -6.672 12.662 6.234 1.00 0.00 S ATOM 0 H CYS A 77 -5.619 10.679 9.432 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.234 11.501 8.316 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.707 10.582 6.923 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.280 10.347 6.187 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.118 12.658 5.058 1.00 0.00 H new ATOM 1135 N ARG A 78 -8.902 9.027 7.901 1.00 0.00 N ATOM 1136 CA ARG A 78 -9.430 7.678 8.060 1.00 0.00 C ATOM 1137 C ARG A 78 -9.398 6.921 6.735 1.00 0.00 C ATOM 1138 O ARG A 78 -10.107 7.270 5.791 1.00 0.00 O ATOM 1139 CB ARG A 78 -10.862 7.728 8.596 1.00 0.00 C ATOM 1140 CG ARG A 78 -10.944 7.754 10.113 1.00 0.00 C ATOM 1141 CD ARG A 78 -12.291 8.275 10.590 1.00 0.00 C ATOM 1142 NE ARG A 78 -12.332 9.735 10.624 1.00 0.00 N ATOM 1143 CZ ARG A 78 -13.420 10.432 10.929 1.00 0.00 C ATOM 1144 NH1 ARG A 78 -14.551 9.807 11.224 1.00 0.00 N ATOM 1145 NH2 ARG A 78 -13.378 11.759 10.939 1.00 0.00 N ATOM 0 H ARG A 78 -9.451 9.625 7.283 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.799 7.150 8.775 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.359 8.613 8.199 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.410 6.861 8.226 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.782 6.750 10.504 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.148 8.383 10.511 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.077 7.905 9.931 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.499 7.883 11.586 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.478 10.247 10.401 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.587 8.788 11.217 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.385 10.345 11.458 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.510 12.243 10.712 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.214 12.294 11.173 1.00 0.00 H new ATOM 1159 N VAL A 79 -8.569 5.883 6.673 1.00 0.00 N ATOM 1160 CA VAL A 79 -8.444 5.077 5.464 1.00 0.00 C ATOM 1161 C VAL A 79 -9.215 3.769 5.595 1.00 0.00 C ATOM 1162 O VAL A 79 -9.392 3.247 6.696 1.00 0.00 O ATOM 1163 CB VAL A 79 -6.969 4.762 5.150 1.00 0.00 C ATOM 1164 CG1 VAL A 79 -6.845 4.090 3.791 1.00 0.00 C ATOM 1165 CG2 VAL A 79 -6.130 6.029 5.206 1.00 0.00 C ATOM 0 H VAL A 79 -7.975 5.581 7.445 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.864 5.663 4.647 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.594 4.072 5.906 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.796 3.875 3.586 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.413 3.160 3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.237 4.753 3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.091 5.788 4.982 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.503 6.745 4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.194 6.464 6.203 1.00 0.00 H new ATOM 1175 N MET A 80 -9.673 3.242 4.463 1.00 0.00 N ATOM 1176 CA MET A 80 -10.424 1.993 4.451 1.00 0.00 C ATOM 1177 C MET A 80 -9.532 0.826 4.040 1.00 0.00 C ATOM 1178 O MET A 80 -8.734 0.939 3.109 1.00 0.00 O ATOM 1179 CB MET A 80 -11.616 2.099 3.498 1.00 0.00 C ATOM 1180 CG MET A 80 -12.210 0.753 3.115 1.00 0.00 C ATOM 1181 SD MET A 80 -13.885 0.894 2.461 1.00 0.00 S ATOM 1182 CE MET A 80 -14.531 -0.735 2.832 1.00 0.00 C ATOM 0 H MET A 80 -9.537 3.661 3.543 1.00 0.00 H new ATOM 0 HA MET A 80 -10.791 1.809 5.461 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.390 2.709 3.964 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.302 2.619 2.593 1.00 0.00 H new ATOM 0 HG2 MET A 80 -11.572 0.277 2.370 1.00 0.00 H new ATOM 0 HG3 MET A 80 -12.219 0.102 3.989 1.00 0.00 H new ATOM 0 HE1 MET A 80 -15.315 -0.987 2.118 1.00 0.00 H new ATOM 0 HE2 MET A 80 -13.728 -1.469 2.763 1.00 0.00 H new ATOM 0 HE3 MET A 80 -14.943 -0.742 3.841 1.00 0.00 H new ATOM 1192 N LEU A 81 -9.673 -0.295 4.739 1.00 0.00 N ATOM 1193 CA LEU A 81 -8.879 -1.483 4.447 1.00 0.00 C ATOM 1194 C LEU A 81 -9.771 -2.713 4.306 1.00 0.00 C ATOM 1195 O LEU A 81 -10.702 -2.908 5.088 1.00 0.00 O ATOM 1196 CB LEU A 81 -7.844 -1.713 5.549 1.00 0.00 C ATOM 1197 CG LEU A 81 -6.832 -2.832 5.298 1.00 0.00 C ATOM 1198 CD1 LEU A 81 -5.877 -2.447 4.179 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -6.063 -3.152 6.571 1.00 0.00 C ATOM 0 H LEU A 81 -10.330 -0.406 5.512 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.363 -1.321 3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.296 -0.784 5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.373 -1.931 6.477 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.376 -3.725 4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.164 -3.255 4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.442 -2.269 3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.339 -1.540 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.348 -3.950 6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.530 -2.263 6.908 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.759 -3.473 7.346 1.00 0.00 H new ATOM 1211 N ILE A 82 -9.477 -3.539 3.308 1.00 0.00 N ATOM 1212 CA ILE A 82 -10.251 -4.751 3.068 1.00 0.00 C ATOM 1213 C ILE A 82 -9.352 -5.983 3.058 1.00 0.00 C ATOM 1214 O ILE A 82 -8.362 -6.037 2.330 1.00 0.00 O ATOM 1215 CB ILE A 82 -11.015 -4.676 1.733 1.00 0.00 C ATOM 1216 CG1 ILE A 82 -11.933 -3.452 1.714 1.00 0.00 C ATOM 1217 CG2 ILE A 82 -11.818 -5.949 1.510 1.00 0.00 C ATOM 1218 CD1 ILE A 82 -12.703 -3.294 0.422 1.00 0.00 C ATOM 0 H ILE A 82 -8.709 -3.392 2.653 1.00 0.00 H new ATOM 0 HA ILE A 82 -10.969 -4.834 3.884 1.00 0.00 H new ATOM 0 HB ILE A 82 -10.292 -4.578 0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.639 -3.524 2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.335 -2.557 1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.352 -5.881 0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -11.144 -6.805 1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.534 -6.074 2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.333 -2.406 0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.004 -3.190 -0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.328 -4.172 0.261 1.00 0.00 H new ATOM 1230 N GLY A 83 -9.707 -6.974 3.870 1.00 0.00 N ATOM 1231 CA GLY A 83 -8.924 -8.194 3.938 1.00 0.00 C ATOM 1232 C GLY A 83 -9.416 -9.140 5.016 1.00 0.00 C ATOM 1233 O GLY A 83 -10.148 -8.737 5.920 1.00 0.00 O ATOM 0 H GLY A 83 -10.523 -6.954 4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.959 -8.699 2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.881 -7.942 4.128 1.00 0.00 H new ATOM 1237 N LYS A 84 -9.015 -10.403 4.920 1.00 0.00 N ATOM 1238 CA LYS A 84 -9.420 -11.411 5.893 1.00 0.00 C ATOM 1239 C LYS A 84 -8.205 -11.997 6.607 1.00 0.00 C ATOM 1240 O LYS A 84 -7.777 -13.112 6.311 1.00 0.00 O ATOM 1241 CB LYS A 84 -10.208 -12.527 5.205 1.00 0.00 C ATOM 1242 CG LYS A 84 -11.700 -12.258 5.123 1.00 0.00 C ATOM 1243 CD LYS A 84 -12.036 -11.321 3.974 1.00 0.00 C ATOM 1244 CE LYS A 84 -11.969 -12.037 2.634 1.00 0.00 C ATOM 1245 NZ LYS A 84 -13.273 -12.658 2.271 1.00 0.00 N ATOM 0 H LYS A 84 -8.409 -10.753 4.178 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.058 -10.929 6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.817 -12.668 4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -10.045 -13.460 5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -12.234 -13.200 4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.044 -11.823 6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.035 -10.910 4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.342 -10.480 3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.675 -11.330 1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.198 -12.807 2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.186 -13.136 1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.541 -13.352 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.004 -11.920 2.210 1.00 0.00 H new