USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 458 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 TYR OH : rot -2:sc= 0.129 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.053) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.815 K(o=-0.82,f=-1.6) USER MOD Single : A 22 LYS NZ :NH3+ 166:sc= -0.0042 (180deg=-0.119) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.36 K(o=-0.36,f=-3.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00957) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -0.0022 (180deg=-0.0749) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.33) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -76:sc= 0.844 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -109:sc= -0.985 (180deg=-3.21!) USER MOD Single : A 68 GLN : amide:sc=-4.26e-05 K(o=-4.3e-05,f=-0.8) USER MOD Single : A 69 TYR OH : rot -174:sc= 1.36 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 1.405 4.720 0.404 1.00 0.00 N ATOM 67 CA ASP A 8 2.812 4.451 0.678 1.00 0.00 C ATOM 68 C ASP A 8 3.077 2.949 0.732 1.00 0.00 C ATOM 69 O ASP A 8 2.821 2.300 1.747 1.00 0.00 O ATOM 70 CB ASP A 8 3.232 5.103 1.996 1.00 0.00 C ATOM 71 CG ASP A 8 3.084 6.612 1.967 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.939 7.099 2.079 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.113 7.306 1.834 1.00 0.00 O ATOM 0 HA ASP A 8 3.402 4.878 -0.133 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.628 4.697 2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.269 4.846 2.211 1.00 0.00 H new ATOM 78 N TYR A 9 3.590 2.404 -0.365 1.00 0.00 N ATOM 79 CA TYR A 9 3.887 0.979 -0.443 1.00 0.00 C ATOM 80 C TYR A 9 4.713 0.527 0.757 1.00 0.00 C ATOM 81 O TYR A 9 4.354 -0.425 1.450 1.00 0.00 O ATOM 82 CB TYR A 9 4.634 0.662 -1.740 1.00 0.00 C ATOM 83 CG TYR A 9 3.830 0.948 -2.988 1.00 0.00 C ATOM 84 CD1 TYR A 9 2.515 0.514 -3.105 1.00 0.00 C ATOM 85 CD2 TYR A 9 4.384 1.652 -4.049 1.00 0.00 C ATOM 86 CE1 TYR A 9 1.777 0.772 -4.244 1.00 0.00 C ATOM 87 CE2 TYR A 9 3.653 1.916 -5.191 1.00 0.00 C ATOM 88 CZ TYR A 9 2.350 1.473 -5.284 1.00 0.00 C ATOM 89 OH TYR A 9 1.617 1.733 -6.419 1.00 0.00 O ATOM 0 H TYR A 9 3.809 2.927 -1.213 1.00 0.00 H new ATOM 0 HA TYR A 9 2.942 0.436 -0.434 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.555 1.244 -1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.921 -0.389 -1.736 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.062 -0.034 -2.292 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.404 1.999 -3.980 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.757 0.426 -4.319 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.099 2.466 -6.006 1.00 0.00 H new ATOM 0 HH TYR A 9 0.729 1.326 -6.335 1.00 0.00 H new ATOM 99 N TYR A 10 5.822 1.219 0.997 1.00 0.00 N ATOM 100 CA TYR A 10 6.702 0.889 2.112 1.00 0.00 C ATOM 101 C TYR A 10 5.896 0.595 3.373 1.00 0.00 C ATOM 102 O TYR A 10 6.285 -0.240 4.189 1.00 0.00 O ATOM 103 CB TYR A 10 7.679 2.037 2.373 1.00 0.00 C ATOM 104 CG TYR A 10 8.541 2.382 1.180 1.00 0.00 C ATOM 105 CD1 TYR A 10 9.445 1.463 0.662 1.00 0.00 C ATOM 106 CD2 TYR A 10 8.450 3.627 0.570 1.00 0.00 C ATOM 107 CE1 TYR A 10 10.235 1.775 -0.428 1.00 0.00 C ATOM 108 CE2 TYR A 10 9.235 3.947 -0.521 1.00 0.00 C ATOM 109 CZ TYR A 10 10.126 3.018 -1.016 1.00 0.00 C ATOM 110 OH TYR A 10 10.911 3.332 -2.102 1.00 0.00 O ATOM 0 H TYR A 10 6.132 2.011 0.435 1.00 0.00 H new ATOM 0 HA TYR A 10 7.265 -0.006 1.846 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.116 2.921 2.672 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.323 1.771 3.211 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.532 0.488 1.119 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.754 4.357 0.955 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.934 1.050 -0.817 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.151 4.919 -0.984 1.00 0.00 H new ATOM 0 HH TYR A 10 10.711 4.245 -2.397 1.00 0.00 H new ATOM 120 N GLN A 11 4.772 1.287 3.524 1.00 0.00 N ATOM 121 CA GLN A 11 3.910 1.101 4.686 1.00 0.00 C ATOM 122 C GLN A 11 3.017 -0.123 4.510 1.00 0.00 C ATOM 123 O GLN A 11 2.770 -0.864 5.461 1.00 0.00 O ATOM 124 CB GLN A 11 3.052 2.345 4.916 1.00 0.00 C ATOM 125 CG GLN A 11 3.762 3.438 5.698 1.00 0.00 C ATOM 126 CD GLN A 11 3.950 3.082 7.159 1.00 0.00 C ATOM 127 OE1 GLN A 11 3.041 3.248 7.973 1.00 0.00 O ATOM 128 NE2 GLN A 11 5.135 2.588 7.501 1.00 0.00 N ATOM 0 H GLN A 11 4.436 1.982 2.857 1.00 0.00 H new ATOM 0 HA GLN A 11 4.546 0.942 5.557 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.740 2.744 3.951 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.146 2.058 5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.736 3.629 5.246 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.190 4.363 5.624 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.860 2.467 6.794 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.319 2.330 8.470 1.00 0.00 H new ATOM 137 N ILE A 12 2.535 -0.327 3.289 1.00 0.00 N ATOM 138 CA ILE A 12 1.670 -1.461 2.989 1.00 0.00 C ATOM 139 C ILE A 12 2.410 -2.781 3.174 1.00 0.00 C ATOM 140 O ILE A 12 1.889 -3.717 3.782 1.00 0.00 O ATOM 141 CB ILE A 12 1.124 -1.388 1.550 1.00 0.00 C ATOM 142 CG1 ILE A 12 0.275 -0.129 1.367 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.312 -2.633 1.228 1.00 0.00 C ATOM 144 CD1 ILE A 12 -0.013 0.201 -0.081 1.00 0.00 C ATOM 0 H ILE A 12 2.729 0.278 2.491 1.00 0.00 H new ATOM 0 HA ILE A 12 0.835 -1.414 3.688 1.00 0.00 H new ATOM 0 HB ILE A 12 1.966 -1.339 0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.669 -0.257 1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.787 0.715 1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.067 -2.567 0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.945 -3.515 1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.525 -2.711 1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.619 1.105 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.926 0.362 -0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.553 -0.626 -0.542 1.00 0.00 H new ATOM 156 N LEU A 13 3.627 -2.849 2.647 1.00 0.00 N ATOM 157 CA LEU A 13 4.441 -4.055 2.755 1.00 0.00 C ATOM 158 C LEU A 13 5.109 -4.140 4.124 1.00 0.00 C ATOM 159 O LEU A 13 5.330 -5.230 4.651 1.00 0.00 O ATOM 160 CB LEU A 13 5.504 -4.077 1.655 1.00 0.00 C ATOM 161 CG LEU A 13 5.027 -4.514 0.270 1.00 0.00 C ATOM 162 CD1 LEU A 13 6.035 -4.110 -0.794 1.00 0.00 C ATOM 163 CD2 LEU A 13 4.789 -6.017 0.238 1.00 0.00 C ATOM 0 H LEU A 13 4.072 -2.084 2.141 1.00 0.00 H new ATOM 0 HA LEU A 13 3.786 -4.918 2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.932 -3.078 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.308 -4.743 1.968 1.00 0.00 H new ATOM 0 HG LEU A 13 4.083 -4.012 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.678 -4.429 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.156 -3.027 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.994 -4.584 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.450 -6.311 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.717 -6.537 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.029 -6.281 0.973 1.00 0.00 H new ATOM 175 N GLY A 14 5.425 -2.982 4.696 1.00 0.00 N ATOM 176 CA GLY A 14 6.061 -2.948 6.000 1.00 0.00 C ATOM 177 C GLY A 14 7.574 -2.983 5.908 1.00 0.00 C ATOM 178 O GLY A 14 8.240 -3.600 6.739 1.00 0.00 O ATOM 0 H GLY A 14 5.252 -2.067 4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.753 -2.045 6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.716 -3.796 6.591 1.00 0.00 H new ATOM 182 N VAL A 15 8.119 -2.318 4.893 1.00 0.00 N ATOM 183 CA VAL A 15 9.562 -2.275 4.695 1.00 0.00 C ATOM 184 C VAL A 15 10.083 -0.844 4.754 1.00 0.00 C ATOM 185 O VAL A 15 9.359 0.118 4.492 1.00 0.00 O ATOM 186 CB VAL A 15 9.962 -2.900 3.345 1.00 0.00 C ATOM 187 CG1 VAL A 15 9.930 -4.419 3.429 1.00 0.00 C ATOM 188 CG2 VAL A 15 9.049 -2.400 2.236 1.00 0.00 C ATOM 0 H VAL A 15 7.582 -1.802 4.196 1.00 0.00 H new ATOM 0 HA VAL A 15 10.009 -2.855 5.502 1.00 0.00 H new ATOM 0 HB VAL A 15 10.982 -2.595 3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.215 -4.843 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.628 -4.756 4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.923 -4.748 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.346 -2.851 1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.018 -2.674 2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.128 -1.315 2.161 1.00 0.00 H new ATOM 198 N PRO A 16 11.369 -0.696 5.105 1.00 0.00 N ATOM 199 CA PRO A 16 12.016 0.616 5.206 1.00 0.00 C ATOM 200 C PRO A 16 12.211 1.272 3.843 1.00 0.00 C ATOM 201 O PRO A 16 12.411 0.590 2.838 1.00 0.00 O ATOM 202 CB PRO A 16 13.370 0.295 5.844 1.00 0.00 C ATOM 203 CG PRO A 16 13.634 -1.125 5.478 1.00 0.00 C ATOM 204 CD PRO A 16 12.290 -1.797 5.431 1.00 0.00 C ATOM 0 HA PRO A 16 11.417 1.324 5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.152 0.953 5.466 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.339 0.426 6.926 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.138 -1.192 4.514 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.284 -1.603 6.211 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.260 -2.583 4.676 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.039 -2.261 6.385 1.00 0.00 H new ATOM 212 N ARG A 17 12.152 2.599 3.817 1.00 0.00 N ATOM 213 CA ARG A 17 12.322 3.347 2.577 1.00 0.00 C ATOM 214 C ARG A 17 13.604 2.931 1.862 1.00 0.00 C ATOM 215 O ARG A 17 13.749 3.135 0.658 1.00 0.00 O ATOM 216 CB ARG A 17 12.349 4.850 2.863 1.00 0.00 C ATOM 217 CG ARG A 17 11.016 5.403 3.340 1.00 0.00 C ATOM 218 CD ARG A 17 11.188 6.739 4.046 1.00 0.00 C ATOM 219 NE ARG A 17 10.155 6.962 5.053 1.00 0.00 N ATOM 220 CZ ARG A 17 10.065 8.071 5.780 1.00 0.00 C ATOM 221 NH1 ARG A 17 10.941 9.052 5.611 1.00 0.00 N ATOM 222 NH2 ARG A 17 9.096 8.200 6.678 1.00 0.00 N ATOM 0 H ARG A 17 11.988 3.178 4.640 1.00 0.00 H new ATOM 0 HA ARG A 17 11.476 3.123 1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.108 5.054 3.618 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.649 5.378 1.958 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.345 5.523 2.489 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.546 4.690 4.018 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.169 6.775 4.519 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.158 7.544 3.311 1.00 0.00 H new ATOM 0 HE ARG A 17 9.465 6.227 5.207 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.687 8.957 4.921 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.869 9.902 6.170 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.420 7.448 6.810 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.027 9.051 7.236 1.00 0.00 H new ATOM 236 N ASN A 18 14.532 2.348 2.614 1.00 0.00 N ATOM 237 CA ASN A 18 15.803 1.904 2.053 1.00 0.00 C ATOM 238 C ASN A 18 15.956 0.392 2.181 1.00 0.00 C ATOM 239 O ASN A 18 17.030 -0.108 2.513 1.00 0.00 O ATOM 240 CB ASN A 18 16.967 2.607 2.754 1.00 0.00 C ATOM 241 CG ASN A 18 16.780 4.111 2.819 1.00 0.00 C ATOM 242 OD1 ASN A 18 16.287 4.728 1.875 1.00 0.00 O ATOM 243 ND2 ASN A 18 17.174 4.707 3.938 1.00 0.00 N ATOM 0 H ASN A 18 14.428 2.172 3.613 1.00 0.00 H new ATOM 0 HA ASN A 18 15.815 2.164 0.994 1.00 0.00 H new ATOM 0 HB2 ASN A 18 17.070 2.213 3.765 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.894 2.381 2.227 1.00 0.00 H new ATOM 0 HD21 ASN A 18 17.073 5.717 4.041 1.00 0.00 H new ATOM 0 HD22 ASN A 18 17.577 4.155 4.695 1.00 0.00 H new ATOM 250 N ALA A 19 14.873 -0.332 1.914 1.00 0.00 N ATOM 251 CA ALA A 19 14.887 -1.787 1.997 1.00 0.00 C ATOM 252 C ALA A 19 15.609 -2.398 0.800 1.00 0.00 C ATOM 253 O ALA A 19 16.057 -1.684 -0.097 1.00 0.00 O ATOM 254 CB ALA A 19 13.467 -2.324 2.089 1.00 0.00 C ATOM 0 H ALA A 19 13.975 0.066 1.638 1.00 0.00 H new ATOM 0 HA ALA A 19 15.430 -2.070 2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.493 -3.412 2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.983 -1.922 2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.906 -2.024 1.204 1.00 0.00 H new ATOM 260 N SER A 20 15.720 -3.722 0.795 1.00 0.00 N ATOM 261 CA SER A 20 16.392 -4.429 -0.289 1.00 0.00 C ATOM 262 C SER A 20 15.437 -5.398 -0.980 1.00 0.00 C ATOM 263 O SER A 20 14.526 -5.939 -0.355 1.00 0.00 O ATOM 264 CB SER A 20 17.608 -5.187 0.245 1.00 0.00 C ATOM 265 OG SER A 20 18.629 -4.292 0.651 1.00 0.00 O ATOM 0 H SER A 20 15.353 -4.327 1.530 1.00 0.00 H new ATOM 0 HA SER A 20 16.725 -3.692 -1.019 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.310 -5.811 1.088 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.991 -5.855 -0.526 1.00 0.00 H new ATOM 0 HG SER A 20 19.395 -4.801 0.990 1.00 0.00 H new ATOM 271 N GLN A 21 15.654 -5.611 -2.274 1.00 0.00 N ATOM 272 CA GLN A 21 14.813 -6.514 -3.051 1.00 0.00 C ATOM 273 C GLN A 21 14.450 -7.753 -2.239 1.00 0.00 C ATOM 274 O GLN A 21 13.349 -8.290 -2.364 1.00 0.00 O ATOM 275 CB GLN A 21 15.524 -6.925 -4.341 1.00 0.00 C ATOM 276 CG GLN A 21 15.374 -5.915 -5.467 1.00 0.00 C ATOM 277 CD GLN A 21 15.299 -4.487 -4.965 1.00 0.00 C ATOM 278 OE1 GLN A 21 16.306 -3.907 -4.557 1.00 0.00 O ATOM 279 NE2 GLN A 21 14.103 -3.911 -4.991 1.00 0.00 N ATOM 0 H GLN A 21 16.405 -5.171 -2.806 1.00 0.00 H new ATOM 0 HA GLN A 21 13.894 -5.986 -3.305 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.584 -7.069 -4.132 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.131 -7.886 -4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.217 -6.012 -6.151 1.00 0.00 H new ATOM 0 HG3 GLN A 21 14.473 -6.143 -6.037 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.295 -4.429 -5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.992 -2.951 -4.665 1.00 0.00 H new ATOM 288 N LYS A 22 15.383 -8.203 -1.407 1.00 0.00 N ATOM 289 CA LYS A 22 15.162 -9.379 -0.573 1.00 0.00 C ATOM 290 C LYS A 22 14.049 -9.127 0.439 1.00 0.00 C ATOM 291 O LYS A 22 13.121 -9.924 0.565 1.00 0.00 O ATOM 292 CB LYS A 22 16.452 -9.761 0.156 1.00 0.00 C ATOM 293 CG LYS A 22 17.393 -10.612 -0.680 1.00 0.00 C ATOM 294 CD LYS A 22 17.053 -12.089 -0.574 1.00 0.00 C ATOM 295 CE LYS A 22 18.154 -12.958 -1.163 1.00 0.00 C ATOM 296 NZ LYS A 22 19.368 -12.977 -0.301 1.00 0.00 N ATOM 0 H LYS A 22 16.300 -7.771 -1.292 1.00 0.00 H new ATOM 0 HA LYS A 22 14.860 -10.202 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.971 -8.852 0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.198 -10.303 1.067 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.338 -10.299 -1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 22 18.420 -10.450 -0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.899 -12.354 0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.115 -12.286 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.784 -13.975 -1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 22 18.418 -12.588 -2.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 19.995 -13.750 -0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 19.870 -12.070 -0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.088 -13.124 0.690 1.00 0.00 H new ATOM 310 N GLU A 23 14.149 -8.012 1.157 1.00 0.00 N ATOM 311 CA GLU A 23 13.150 -7.656 2.157 1.00 0.00 C ATOM 312 C GLU A 23 11.791 -7.414 1.507 1.00 0.00 C ATOM 313 O GLU A 23 10.759 -7.844 2.021 1.00 0.00 O ATOM 314 CB GLU A 23 13.589 -6.409 2.928 1.00 0.00 C ATOM 315 CG GLU A 23 12.995 -6.316 4.323 1.00 0.00 C ATOM 316 CD GLU A 23 13.455 -7.440 5.230 1.00 0.00 C ATOM 317 OE1 GLU A 23 14.540 -7.308 5.835 1.00 0.00 O ATOM 318 OE2 GLU A 23 12.732 -8.453 5.335 1.00 0.00 O ATOM 0 H GLU A 23 14.911 -7.341 1.064 1.00 0.00 H new ATOM 0 HA GLU A 23 13.057 -8.490 2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.676 -6.403 3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.304 -5.523 2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.270 -5.360 4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.907 -6.333 4.252 1.00 0.00 H new ATOM 325 N ILE A 24 11.800 -6.721 0.373 1.00 0.00 N ATOM 326 CA ILE A 24 10.570 -6.421 -0.348 1.00 0.00 C ATOM 327 C ILE A 24 9.889 -7.698 -0.828 1.00 0.00 C ATOM 328 O ILE A 24 8.666 -7.827 -0.760 1.00 0.00 O ATOM 329 CB ILE A 24 10.835 -5.508 -1.560 1.00 0.00 C ATOM 330 CG1 ILE A 24 11.293 -4.125 -1.093 1.00 0.00 C ATOM 331 CG2 ILE A 24 9.587 -5.395 -2.422 1.00 0.00 C ATOM 332 CD1 ILE A 24 12.113 -3.380 -2.123 1.00 0.00 C ATOM 0 H ILE A 24 12.646 -6.357 -0.066 1.00 0.00 H new ATOM 0 HA ILE A 24 9.914 -5.902 0.351 1.00 0.00 H new ATOM 0 HB ILE A 24 11.629 -5.950 -2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.417 -3.529 -0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.881 -4.235 -0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.791 -4.747 -3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.301 -6.384 -2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.774 -4.973 -1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.403 -2.408 -1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.007 -3.956 -2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.520 -3.239 -3.027 1.00 0.00 H new ATOM 344 N LYS A 25 10.688 -8.642 -1.313 1.00 0.00 N ATOM 345 CA LYS A 25 10.165 -9.912 -1.802 1.00 0.00 C ATOM 346 C LYS A 25 9.595 -10.743 -0.657 1.00 0.00 C ATOM 347 O LYS A 25 8.458 -11.211 -0.721 1.00 0.00 O ATOM 348 CB LYS A 25 11.265 -10.698 -2.519 1.00 0.00 C ATOM 349 CG LYS A 25 10.778 -11.997 -3.140 1.00 0.00 C ATOM 350 CD LYS A 25 11.902 -13.013 -3.259 1.00 0.00 C ATOM 351 CE LYS A 25 12.875 -12.640 -4.367 1.00 0.00 C ATOM 352 NZ LYS A 25 14.050 -13.554 -4.404 1.00 0.00 N ATOM 0 H LYS A 25 11.702 -8.551 -1.378 1.00 0.00 H new ATOM 0 HA LYS A 25 9.362 -9.698 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.698 -10.072 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.062 -10.920 -1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.973 -12.412 -2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.362 -11.796 -4.127 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.436 -13.079 -2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.483 -13.999 -3.458 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.361 -12.671 -5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.216 -11.615 -4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.689 -13.267 -5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.556 -13.506 -3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.727 -14.529 -4.569 1.00 0.00 H new ATOM 366 N LYS A 26 10.391 -10.922 0.391 1.00 0.00 N ATOM 367 CA LYS A 26 9.966 -11.693 1.553 1.00 0.00 C ATOM 368 C LYS A 26 8.700 -11.103 2.165 1.00 0.00 C ATOM 369 O LYS A 26 7.679 -11.780 2.277 1.00 0.00 O ATOM 370 CB LYS A 26 11.081 -11.733 2.601 1.00 0.00 C ATOM 371 CG LYS A 26 10.869 -12.786 3.675 1.00 0.00 C ATOM 372 CD LYS A 26 12.106 -12.956 4.541 1.00 0.00 C ATOM 373 CE LYS A 26 13.086 -13.942 3.924 1.00 0.00 C ATOM 374 NZ LYS A 26 14.365 -14.002 4.685 1.00 0.00 N ATOM 0 H LYS A 26 11.335 -10.543 0.460 1.00 0.00 H new ATOM 0 HA LYS A 26 9.749 -12.709 1.223 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.031 -11.922 2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.159 -10.754 3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.022 -12.504 4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.617 -13.738 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.594 -11.991 4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.813 -13.304 5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.634 -14.933 3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.290 -13.654 2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.006 -14.685 4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.809 -13.062 4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.174 -14.301 5.662 1.00 0.00 H new ATOM 388 N ALA A 27 8.774 -9.835 2.558 1.00 0.00 N ATOM 389 CA ALA A 27 7.633 -9.153 3.155 1.00 0.00 C ATOM 390 C ALA A 27 6.383 -9.320 2.298 1.00 0.00 C ATOM 391 O ALA A 27 5.316 -9.673 2.801 1.00 0.00 O ATOM 392 CB ALA A 27 7.945 -7.677 3.354 1.00 0.00 C ATOM 0 H ALA A 27 9.612 -9.260 2.473 1.00 0.00 H new ATOM 0 HA ALA A 27 7.439 -9.607 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.084 -7.180 3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.806 -7.573 4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.169 -7.219 2.390 1.00 0.00 H new ATOM 398 N TYR A 28 6.522 -9.065 1.002 1.00 0.00 N ATOM 399 CA TYR A 28 5.403 -9.184 0.075 1.00 0.00 C ATOM 400 C TYR A 28 4.735 -10.550 0.201 1.00 0.00 C ATOM 401 O TYR A 28 3.538 -10.645 0.475 1.00 0.00 O ATOM 402 CB TYR A 28 5.878 -8.967 -1.363 1.00 0.00 C ATOM 403 CG TYR A 28 4.837 -9.312 -2.404 1.00 0.00 C ATOM 404 CD1 TYR A 28 3.628 -8.630 -2.459 1.00 0.00 C ATOM 405 CD2 TYR A 28 5.063 -10.321 -3.333 1.00 0.00 C ATOM 406 CE1 TYR A 28 2.674 -8.942 -3.408 1.00 0.00 C ATOM 407 CE2 TYR A 28 4.115 -10.639 -4.286 1.00 0.00 C ATOM 408 CZ TYR A 28 2.922 -9.947 -4.319 1.00 0.00 C ATOM 409 OH TYR A 28 1.975 -10.261 -5.267 1.00 0.00 O ATOM 0 H TYR A 28 7.399 -8.774 0.569 1.00 0.00 H new ATOM 0 HA TYR A 28 4.672 -8.416 0.328 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.171 -7.924 -1.486 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.768 -9.571 -1.538 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.431 -7.842 -1.747 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.995 -10.865 -3.309 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.739 -8.402 -3.436 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.307 -11.425 -5.001 1.00 0.00 H new ATOM 0 HH TYR A 28 2.307 -10.990 -5.832 1.00 0.00 H new ATOM 419 N TYR A 29 5.517 -11.604 -0.001 1.00 0.00 N ATOM 420 CA TYR A 29 5.002 -12.966 0.088 1.00 0.00 C ATOM 421 C TYR A 29 4.391 -13.229 1.461 1.00 0.00 C ATOM 422 O TYR A 29 3.373 -13.910 1.578 1.00 0.00 O ATOM 423 CB TYR A 29 6.119 -13.974 -0.188 1.00 0.00 C ATOM 424 CG TYR A 29 6.420 -14.157 -1.658 1.00 0.00 C ATOM 425 CD1 TYR A 29 5.403 -14.417 -2.569 1.00 0.00 C ATOM 426 CD2 TYR A 29 7.721 -14.072 -2.137 1.00 0.00 C ATOM 427 CE1 TYR A 29 5.674 -14.586 -3.913 1.00 0.00 C ATOM 428 CE2 TYR A 29 8.001 -14.238 -3.479 1.00 0.00 C ATOM 429 CZ TYR A 29 6.974 -14.495 -4.363 1.00 0.00 C ATOM 430 OH TYR A 29 7.249 -14.662 -5.701 1.00 0.00 O ATOM 0 H TYR A 29 6.510 -11.542 -0.227 1.00 0.00 H new ATOM 0 HA TYR A 29 4.222 -13.083 -0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.025 -13.648 0.322 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.842 -14.937 0.240 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.383 -14.488 -2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.528 -13.873 -1.448 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.872 -14.788 -4.607 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.018 -14.167 -3.834 1.00 0.00 H new ATOM 0 HH TYR A 29 8.213 -14.566 -5.851 1.00 0.00 H new ATOM 440 N GLN A 30 5.021 -12.682 2.496 1.00 0.00 N ATOM 441 CA GLN A 30 4.540 -12.858 3.861 1.00 0.00 C ATOM 442 C GLN A 30 3.132 -12.293 4.019 1.00 0.00 C ATOM 443 O GLN A 30 2.290 -12.878 4.702 1.00 0.00 O ATOM 444 CB GLN A 30 5.489 -12.178 4.850 1.00 0.00 C ATOM 445 CG GLN A 30 6.757 -12.971 5.120 1.00 0.00 C ATOM 446 CD GLN A 30 6.533 -14.119 6.085 1.00 0.00 C ATOM 447 OE1 GLN A 30 5.498 -14.785 6.046 1.00 0.00 O ATOM 448 NE2 GLN A 30 7.504 -14.356 6.958 1.00 0.00 N ATOM 0 H GLN A 30 5.864 -12.114 2.415 1.00 0.00 H new ATOM 0 HA GLN A 30 4.509 -13.927 4.074 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.760 -11.196 4.463 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.964 -12.016 5.792 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.143 -13.363 4.179 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.519 -12.304 5.525 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.345 -13.779 6.955 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.409 -15.115 7.632 1.00 0.00 H new ATOM 457 N LEU A 31 2.883 -11.153 3.384 1.00 0.00 N ATOM 458 CA LEU A 31 1.576 -10.508 3.454 1.00 0.00 C ATOM 459 C LEU A 31 0.582 -11.188 2.518 1.00 0.00 C ATOM 460 O LEU A 31 -0.494 -11.611 2.940 1.00 0.00 O ATOM 461 CB LEU A 31 1.697 -9.025 3.098 1.00 0.00 C ATOM 462 CG LEU A 31 2.297 -8.123 4.176 1.00 0.00 C ATOM 463 CD1 LEU A 31 2.579 -6.737 3.616 1.00 0.00 C ATOM 464 CD2 LEU A 31 1.367 -8.036 5.377 1.00 0.00 C ATOM 0 H LEU A 31 3.568 -10.656 2.815 1.00 0.00 H new ATOM 0 HA LEU A 31 1.207 -10.601 4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.306 -8.936 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.704 -8.649 2.849 1.00 0.00 H new ATOM 0 HG LEU A 31 3.241 -8.559 4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.006 -6.109 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.284 -6.816 2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.650 -6.292 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.810 -7.390 6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.407 -7.624 5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.216 -9.032 5.793 1.00 0.00 H new ATOM 476 N ALA A 32 0.951 -11.292 1.245 1.00 0.00 N ATOM 477 CA ALA A 32 0.094 -11.924 0.250 1.00 0.00 C ATOM 478 C ALA A 32 -0.481 -13.235 0.775 1.00 0.00 C ATOM 479 O ALA A 32 -1.691 -13.364 0.961 1.00 0.00 O ATOM 480 CB ALA A 32 0.869 -12.164 -1.037 1.00 0.00 C ATOM 0 H ALA A 32 1.838 -10.946 0.879 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.737 -11.250 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.217 -12.637 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.227 -11.212 -1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.719 -12.816 -0.834 1.00 0.00 H new ATOM 486 N LYS A 33 0.394 -14.207 1.013 1.00 0.00 N ATOM 487 CA LYS A 33 -0.027 -15.509 1.517 1.00 0.00 C ATOM 488 C LYS A 33 -1.051 -15.354 2.636 1.00 0.00 C ATOM 489 O LYS A 33 -2.032 -16.095 2.702 1.00 0.00 O ATOM 490 CB LYS A 33 1.183 -16.297 2.025 1.00 0.00 C ATOM 491 CG LYS A 33 0.994 -17.803 1.972 1.00 0.00 C ATOM 492 CD LYS A 33 1.840 -18.508 3.019 1.00 0.00 C ATOM 493 CE LYS A 33 1.444 -19.970 3.163 1.00 0.00 C ATOM 494 NZ LYS A 33 2.540 -20.785 3.758 1.00 0.00 N ATOM 0 H LYS A 33 1.399 -14.117 0.865 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.491 -16.056 0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.057 -16.028 1.431 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.393 -16.002 3.053 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.057 -18.044 2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.260 -18.169 0.981 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.893 -18.440 2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.728 -18.003 3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.554 -20.046 3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.181 -20.373 2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.231 -21.775 3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.381 -20.734 3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.774 -20.416 4.702 1.00 0.00 H new ATOM 508 N LYS A 34 -0.819 -14.384 3.515 1.00 0.00 N ATOM 509 CA LYS A 34 -1.723 -14.129 4.630 1.00 0.00 C ATOM 510 C LYS A 34 -3.073 -13.622 4.132 1.00 0.00 C ATOM 511 O LYS A 34 -4.121 -13.998 4.657 1.00 0.00 O ATOM 512 CB LYS A 34 -1.106 -13.110 5.591 1.00 0.00 C ATOM 513 CG LYS A 34 -2.055 -12.654 6.685 1.00 0.00 C ATOM 514 CD LYS A 34 -1.745 -11.237 7.137 1.00 0.00 C ATOM 515 CE LYS A 34 -0.670 -11.217 8.212 1.00 0.00 C ATOM 516 NZ LYS A 34 -1.210 -11.607 9.544 1.00 0.00 N ATOM 0 H LYS A 34 -0.012 -13.762 3.476 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.881 -15.069 5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.219 -13.547 6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.776 -12.241 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.081 -12.705 6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.984 -13.332 7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.417 -10.645 6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.652 -10.769 7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.135 -11.897 7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.237 -10.219 8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.473 -11.483 10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.027 -11.007 9.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.508 -12.603 9.520 1.00 0.00 H new ATOM 530 N TYR A 35 -3.039 -12.767 3.115 1.00 0.00 N ATOM 531 CA TYR A 35 -4.259 -12.208 2.547 1.00 0.00 C ATOM 532 C TYR A 35 -4.538 -12.797 1.167 1.00 0.00 C ATOM 533 O TYR A 35 -4.997 -12.099 0.262 1.00 0.00 O ATOM 534 CB TYR A 35 -4.151 -10.685 2.451 1.00 0.00 C ATOM 535 CG TYR A 35 -3.911 -10.010 3.783 1.00 0.00 C ATOM 536 CD1 TYR A 35 -4.862 -10.067 4.794 1.00 0.00 C ATOM 537 CD2 TYR A 35 -2.734 -9.314 4.029 1.00 0.00 C ATOM 538 CE1 TYR A 35 -4.647 -9.452 6.012 1.00 0.00 C ATOM 539 CE2 TYR A 35 -2.510 -8.697 5.245 1.00 0.00 C ATOM 540 CZ TYR A 35 -3.470 -8.768 6.233 1.00 0.00 C ATOM 541 OH TYR A 35 -3.251 -8.153 7.444 1.00 0.00 O ATOM 0 H TYR A 35 -2.180 -12.447 2.668 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.087 -12.466 3.207 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.338 -10.429 1.772 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.068 -10.291 2.013 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.785 -10.601 4.625 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.981 -9.254 3.257 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.397 -9.507 6.787 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.588 -8.162 5.421 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.374 -7.717 7.435 1.00 0.00 H new ATOM 551 N HIS A 36 -4.257 -14.087 1.014 1.00 0.00 N ATOM 552 CA HIS A 36 -4.477 -14.772 -0.254 1.00 0.00 C ATOM 553 C HIS A 36 -5.967 -14.994 -0.500 1.00 0.00 C ATOM 554 O HIS A 36 -6.730 -15.311 0.412 1.00 0.00 O ATOM 555 CB HIS A 36 -3.741 -16.112 -0.270 1.00 0.00 C ATOM 556 CG HIS A 36 -3.296 -16.535 -1.635 1.00 0.00 C ATOM 557 ND1 HIS A 36 -3.691 -17.719 -2.222 1.00 0.00 N ATOM 558 CD2 HIS A 36 -2.487 -15.925 -2.532 1.00 0.00 C ATOM 559 CE1 HIS A 36 -3.142 -17.819 -3.420 1.00 0.00 C ATOM 560 NE2 HIS A 36 -2.407 -16.743 -3.632 1.00 0.00 N ATOM 0 H HIS A 36 -3.876 -14.679 1.753 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.084 -14.141 -1.052 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.871 -16.047 0.383 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.393 -16.880 0.145 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.995 -14.972 -2.406 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.272 -18.641 -4.108 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -1.867 -16.551 -4.476 1.00 0.00 H new ATOM 704 N ALA A 46 -10.151 -8.744 1.749 1.00 0.00 N ATOM 705 CA ALA A 46 -8.883 -9.306 1.300 1.00 0.00 C ATOM 706 C ALA A 46 -8.580 -8.897 -0.138 1.00 0.00 C ATOM 707 O ALA A 46 -7.508 -8.367 -0.431 1.00 0.00 O ATOM 708 CB ALA A 46 -8.904 -10.822 1.425 1.00 0.00 C ATOM 0 HA ALA A 46 -8.093 -8.910 1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.951 -11.228 1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.067 -11.099 2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.709 -11.227 0.812 1.00 0.00 H new ATOM 714 N LYS A 47 -9.530 -9.146 -1.032 1.00 0.00 N ATOM 715 CA LYS A 47 -9.366 -8.804 -2.440 1.00 0.00 C ATOM 716 C LYS A 47 -8.670 -7.455 -2.594 1.00 0.00 C ATOM 717 O LYS A 47 -7.669 -7.341 -3.300 1.00 0.00 O ATOM 718 CB LYS A 47 -10.726 -8.770 -3.140 1.00 0.00 C ATOM 719 CG LYS A 47 -10.644 -8.993 -4.640 1.00 0.00 C ATOM 720 CD LYS A 47 -10.487 -10.466 -4.978 1.00 0.00 C ATOM 721 CE LYS A 47 -11.837 -11.161 -5.077 1.00 0.00 C ATOM 722 NZ LYS A 47 -12.553 -10.805 -6.333 1.00 0.00 N ATOM 0 H LYS A 47 -10.423 -9.584 -0.806 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.745 -9.570 -2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.370 -9.533 -2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.199 -7.807 -2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.544 -8.604 -5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.801 -8.434 -5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.953 -10.569 -5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.881 -10.953 -4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.694 -12.241 -5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.451 -10.887 -4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.354 -11.454 -6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.906 -9.829 -6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.900 -10.883 -7.139 1.00 0.00 H new ATOM 736 N GLU A 48 -9.206 -6.438 -1.927 1.00 0.00 N ATOM 737 CA GLU A 48 -8.634 -5.098 -1.991 1.00 0.00 C ATOM 738 C GLU A 48 -7.212 -5.086 -1.439 1.00 0.00 C ATOM 739 O GLU A 48 -6.316 -4.466 -2.012 1.00 0.00 O ATOM 740 CB GLU A 48 -9.504 -4.111 -1.209 1.00 0.00 C ATOM 741 CG GLU A 48 -9.457 -2.694 -1.755 1.00 0.00 C ATOM 742 CD GLU A 48 -9.971 -1.669 -0.763 1.00 0.00 C ATOM 743 OE1 GLU A 48 -11.175 -1.711 -0.435 1.00 0.00 O ATOM 744 OE2 GLU A 48 -9.168 -0.824 -0.314 1.00 0.00 O ATOM 0 H GLU A 48 -10.034 -6.516 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.602 -4.794 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.536 -4.462 -1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.182 -4.101 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.431 -2.448 -2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.051 -2.640 -2.668 1.00 0.00 H new ATOM 751 N LYS A 49 -7.011 -5.776 -0.321 1.00 0.00 N ATOM 752 CA LYS A 49 -5.699 -5.848 0.310 1.00 0.00 C ATOM 753 C LYS A 49 -4.656 -6.387 -0.664 1.00 0.00 C ATOM 754 O LYS A 49 -3.692 -5.699 -1.000 1.00 0.00 O ATOM 755 CB LYS A 49 -5.756 -6.735 1.555 1.00 0.00 C ATOM 756 CG LYS A 49 -6.136 -5.984 2.820 1.00 0.00 C ATOM 757 CD LYS A 49 -6.832 -6.893 3.820 1.00 0.00 C ATOM 758 CE LYS A 49 -7.520 -6.093 4.915 1.00 0.00 C ATOM 759 NZ LYS A 49 -6.566 -5.670 5.977 1.00 0.00 N ATOM 0 H LYS A 49 -7.742 -6.294 0.167 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.409 -4.839 0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.476 -7.536 1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.784 -7.206 1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.241 -5.559 3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.791 -5.151 2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.567 -7.510 3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.104 -7.571 4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.992 -5.212 4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.314 -6.693 5.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.074 -5.127 6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.134 -6.511 6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.822 -5.076 5.559 1.00 0.00 H new ATOM 773 N PHE A 50 -4.856 -7.621 -1.114 1.00 0.00 N ATOM 774 CA PHE A 50 -3.932 -8.253 -2.050 1.00 0.00 C ATOM 775 C PHE A 50 -3.602 -7.313 -3.205 1.00 0.00 C ATOM 776 O PHE A 50 -2.434 -7.087 -3.522 1.00 0.00 O ATOM 777 CB PHE A 50 -4.531 -9.553 -2.590 1.00 0.00 C ATOM 778 CG PHE A 50 -3.503 -10.509 -3.125 1.00 0.00 C ATOM 779 CD1 PHE A 50 -2.759 -11.300 -2.264 1.00 0.00 C ATOM 780 CD2 PHE A 50 -3.280 -10.617 -4.488 1.00 0.00 C ATOM 781 CE1 PHE A 50 -1.812 -12.180 -2.753 1.00 0.00 C ATOM 782 CE2 PHE A 50 -2.335 -11.495 -4.983 1.00 0.00 C ATOM 783 CZ PHE A 50 -1.601 -12.279 -4.114 1.00 0.00 C ATOM 0 H PHE A 50 -5.649 -8.204 -0.846 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.010 -8.481 -1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.092 -10.043 -1.795 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.241 -9.315 -3.382 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.921 -11.228 -1.199 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.852 -10.007 -5.172 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.238 -12.790 -2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.170 -11.568 -6.048 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.864 -12.968 -4.498 1.00 0.00 H new ATOM 793 N SER A 51 -4.640 -6.768 -3.832 1.00 0.00 N ATOM 794 CA SER A 51 -4.461 -5.856 -4.956 1.00 0.00 C ATOM 795 C SER A 51 -3.390 -4.815 -4.645 1.00 0.00 C ATOM 796 O SER A 51 -2.567 -4.482 -5.498 1.00 0.00 O ATOM 797 CB SER A 51 -5.782 -5.160 -5.291 1.00 0.00 C ATOM 798 OG SER A 51 -6.530 -5.913 -6.230 1.00 0.00 O ATOM 0 H SER A 51 -5.613 -6.942 -3.581 1.00 0.00 H new ATOM 0 HA SER A 51 -4.137 -6.440 -5.818 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.366 -5.024 -4.381 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.582 -4.167 -5.693 1.00 0.00 H new ATOM 0 HG SER A 51 -7.370 -5.449 -6.427 1.00 0.00 H new ATOM 804 N GLN A 52 -3.407 -4.304 -3.418 1.00 0.00 N ATOM 805 CA GLN A 52 -2.438 -3.301 -2.995 1.00 0.00 C ATOM 806 C GLN A 52 -1.056 -3.920 -2.816 1.00 0.00 C ATOM 807 O GLN A 52 -0.051 -3.356 -3.251 1.00 0.00 O ATOM 808 CB GLN A 52 -2.889 -2.646 -1.688 1.00 0.00 C ATOM 809 CG GLN A 52 -4.006 -1.631 -1.870 1.00 0.00 C ATOM 810 CD GLN A 52 -3.645 -0.536 -2.854 1.00 0.00 C ATOM 811 OE1 GLN A 52 -4.253 -0.417 -3.918 1.00 0.00 O ATOM 812 NE2 GLN A 52 -2.652 0.272 -2.503 1.00 0.00 N ATOM 0 H GLN A 52 -4.081 -4.568 -2.700 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.377 -2.540 -3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.223 -3.422 -0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.034 -2.154 -1.224 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.904 -2.143 -2.215 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.245 -1.183 -0.906 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.176 0.137 -1.611 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.365 1.028 -3.125 1.00 0.00 H new ATOM 821 N LEU A 53 -1.012 -5.082 -2.175 1.00 0.00 N ATOM 822 CA LEU A 53 0.248 -5.778 -1.939 1.00 0.00 C ATOM 823 C LEU A 53 1.008 -5.987 -3.245 1.00 0.00 C ATOM 824 O LEU A 53 2.125 -5.499 -3.409 1.00 0.00 O ATOM 825 CB LEU A 53 -0.010 -7.127 -1.264 1.00 0.00 C ATOM 826 CG LEU A 53 -0.451 -7.072 0.199 1.00 0.00 C ATOM 827 CD1 LEU A 53 -0.982 -8.425 0.647 1.00 0.00 C ATOM 828 CD2 LEU A 53 0.702 -6.629 1.087 1.00 0.00 C ATOM 0 H LEU A 53 -1.834 -5.562 -1.809 1.00 0.00 H new ATOM 0 HA LEU A 53 0.858 -5.160 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.775 -7.655 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.901 -7.722 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.254 -6.341 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.291 -8.367 1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.837 -8.703 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.199 -9.176 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.370 -6.595 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.526 -7.336 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.037 -5.638 0.781 1.00 0.00 H new ATOM 840 N ALA A 54 0.393 -6.715 -4.171 1.00 0.00 N ATOM 841 CA ALA A 54 1.010 -6.985 -5.464 1.00 0.00 C ATOM 842 C ALA A 54 1.572 -5.709 -6.081 1.00 0.00 C ATOM 843 O ALA A 54 2.759 -5.633 -6.397 1.00 0.00 O ATOM 844 CB ALA A 54 0.002 -7.629 -6.405 1.00 0.00 C ATOM 0 H ALA A 54 -0.532 -7.128 -4.050 1.00 0.00 H new ATOM 0 HA ALA A 54 1.838 -7.677 -5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.476 -7.825 -7.367 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.349 -8.567 -5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.844 -6.956 -6.548 1.00 0.00 H new ATOM 850 N GLU A 55 0.712 -4.710 -6.251 1.00 0.00 N ATOM 851 CA GLU A 55 1.124 -3.438 -6.832 1.00 0.00 C ATOM 852 C GLU A 55 2.321 -2.860 -6.082 1.00 0.00 C ATOM 853 O GLU A 55 3.251 -2.331 -6.690 1.00 0.00 O ATOM 854 CB GLU A 55 -0.036 -2.441 -6.809 1.00 0.00 C ATOM 855 CG GLU A 55 0.226 -1.183 -7.621 1.00 0.00 C ATOM 856 CD GLU A 55 -0.963 -0.242 -7.637 1.00 0.00 C ATOM 857 OE1 GLU A 55 -1.236 0.386 -6.593 1.00 0.00 O ATOM 858 OE2 GLU A 55 -1.620 -0.133 -8.693 1.00 0.00 O ATOM 0 H GLU A 55 -0.274 -4.757 -5.995 1.00 0.00 H new ATOM 0 HA GLU A 55 1.417 -3.618 -7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.932 -2.930 -7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.242 -2.160 -5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.091 -0.663 -7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.478 -1.461 -8.644 1.00 0.00 H new ATOM 865 N ALA A 56 2.289 -2.965 -4.757 1.00 0.00 N ATOM 866 CA ALA A 56 3.370 -2.454 -3.924 1.00 0.00 C ATOM 867 C ALA A 56 4.686 -3.156 -4.241 1.00 0.00 C ATOM 868 O ALA A 56 5.747 -2.531 -4.255 1.00 0.00 O ATOM 869 CB ALA A 56 3.024 -2.618 -2.451 1.00 0.00 C ATOM 0 H ALA A 56 1.526 -3.399 -4.238 1.00 0.00 H new ATOM 0 HA ALA A 56 3.493 -1.393 -4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.840 -2.232 -1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.111 -2.065 -2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.872 -3.674 -2.228 1.00 0.00 H new ATOM 875 N TYR A 57 4.610 -4.458 -4.496 1.00 0.00 N ATOM 876 CA TYR A 57 5.797 -5.245 -4.810 1.00 0.00 C ATOM 877 C TYR A 57 6.275 -4.966 -6.232 1.00 0.00 C ATOM 878 O TYR A 57 7.465 -4.759 -6.468 1.00 0.00 O ATOM 879 CB TYR A 57 5.503 -6.737 -4.643 1.00 0.00 C ATOM 880 CG TYR A 57 6.574 -7.634 -5.222 1.00 0.00 C ATOM 881 CD1 TYR A 57 7.700 -7.971 -4.481 1.00 0.00 C ATOM 882 CD2 TYR A 57 6.460 -8.144 -6.509 1.00 0.00 C ATOM 883 CE1 TYR A 57 8.682 -8.789 -5.006 1.00 0.00 C ATOM 884 CE2 TYR A 57 7.436 -8.964 -7.041 1.00 0.00 C ATOM 885 CZ TYR A 57 8.545 -9.283 -6.286 1.00 0.00 C ATOM 886 OH TYR A 57 9.520 -10.100 -6.812 1.00 0.00 O ATOM 0 H TYR A 57 3.740 -4.990 -4.491 1.00 0.00 H new ATOM 0 HA TYR A 57 6.587 -4.957 -4.117 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.389 -6.960 -3.582 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.551 -6.967 -5.121 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.810 -7.587 -3.478 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.594 -7.895 -7.104 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.552 -9.040 -4.417 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.331 -9.353 -8.043 1.00 0.00 H new ATOM 0 HH TYR A 57 9.271 -10.362 -7.723 1.00 0.00 H new ATOM 896 N GLU A 58 5.338 -4.961 -7.175 1.00 0.00 N ATOM 897 CA GLU A 58 5.663 -4.707 -8.573 1.00 0.00 C ATOM 898 C GLU A 58 6.431 -3.397 -8.724 1.00 0.00 C ATOM 899 O GLU A 58 7.469 -3.345 -9.384 1.00 0.00 O ATOM 900 CB GLU A 58 4.388 -4.663 -9.417 1.00 0.00 C ATOM 901 CG GLU A 58 4.634 -4.862 -10.903 1.00 0.00 C ATOM 902 CD GLU A 58 3.357 -5.134 -11.675 1.00 0.00 C ATOM 903 OE1 GLU A 58 2.377 -4.384 -11.482 1.00 0.00 O ATOM 904 OE2 GLU A 58 3.338 -6.096 -12.470 1.00 0.00 O ATOM 0 H GLU A 58 4.348 -5.130 -6.996 1.00 0.00 H new ATOM 0 HA GLU A 58 6.295 -5.522 -8.926 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.702 -5.434 -9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.894 -3.703 -9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.118 -3.974 -11.309 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.324 -5.694 -11.045 1.00 0.00 H new ATOM 911 N VAL A 59 5.913 -2.339 -8.107 1.00 0.00 N ATOM 912 CA VAL A 59 6.549 -1.029 -8.171 1.00 0.00 C ATOM 913 C VAL A 59 7.902 -1.040 -7.469 1.00 0.00 C ATOM 914 O VAL A 59 8.930 -0.730 -8.074 1.00 0.00 O ATOM 915 CB VAL A 59 5.661 0.057 -7.535 1.00 0.00 C ATOM 916 CG1 VAL A 59 6.445 1.348 -7.352 1.00 0.00 C ATOM 917 CG2 VAL A 59 4.419 0.293 -8.381 1.00 0.00 C ATOM 0 H VAL A 59 5.054 -2.364 -7.557 1.00 0.00 H new ATOM 0 HA VAL A 59 6.693 -0.798 -9.226 1.00 0.00 H new ATOM 0 HB VAL A 59 5.342 -0.289 -6.552 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.802 2.104 -6.902 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.300 1.165 -6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.796 1.701 -8.322 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.803 1.063 -7.917 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.715 0.617 -9.379 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.848 -0.632 -8.455 1.00 0.00 H new ATOM 927 N LEU A 60 7.896 -1.398 -6.190 1.00 0.00 N ATOM 928 CA LEU A 60 9.124 -1.450 -5.404 1.00 0.00 C ATOM 929 C LEU A 60 10.148 -2.374 -6.055 1.00 0.00 C ATOM 930 O LEU A 60 11.189 -1.925 -6.533 1.00 0.00 O ATOM 931 CB LEU A 60 8.822 -1.925 -3.982 1.00 0.00 C ATOM 932 CG LEU A 60 8.019 -0.961 -3.108 1.00 0.00 C ATOM 933 CD1 LEU A 60 7.753 -1.574 -1.742 1.00 0.00 C ATOM 934 CD2 LEU A 60 8.750 0.366 -2.967 1.00 0.00 C ATOM 0 H LEU A 60 7.055 -1.657 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 60 9.544 -0.445 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.278 -2.867 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.768 -2.135 -3.482 1.00 0.00 H new ATOM 0 HG LEU A 60 7.060 -0.775 -3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.180 -0.873 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.187 -2.498 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.701 -1.791 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.164 1.040 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.723 0.198 -2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.887 0.812 -3.952 1.00 0.00 H new ATOM 946 N SER A 61 9.843 -3.668 -6.072 1.00 0.00 N ATOM 947 CA SER A 61 10.738 -4.656 -6.663 1.00 0.00 C ATOM 948 C SER A 61 11.424 -4.094 -7.905 1.00 0.00 C ATOM 949 O SER A 61 12.647 -4.155 -8.033 1.00 0.00 O ATOM 950 CB SER A 61 9.964 -5.925 -7.024 1.00 0.00 C ATOM 951 OG SER A 61 9.126 -5.709 -8.146 1.00 0.00 O ATOM 0 H SER A 61 8.983 -4.056 -5.684 1.00 0.00 H new ATOM 0 HA SER A 61 11.503 -4.903 -5.927 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.664 -6.733 -7.239 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.362 -6.242 -6.172 1.00 0.00 H new ATOM 0 HG SER A 61 8.333 -5.203 -7.870 1.00 0.00 H new ATOM 957 N ASP A 62 10.627 -3.548 -8.817 1.00 0.00 N ATOM 958 CA ASP A 62 11.155 -2.974 -10.048 1.00 0.00 C ATOM 959 C ASP A 62 11.957 -1.709 -9.758 1.00 0.00 C ATOM 960 O ASP A 62 11.400 -0.690 -9.351 1.00 0.00 O ATOM 961 CB ASP A 62 10.016 -2.659 -11.019 1.00 0.00 C ATOM 962 CG ASP A 62 10.447 -2.759 -12.469 1.00 0.00 C ATOM 963 OD1 ASP A 62 11.046 -1.789 -12.978 1.00 0.00 O ATOM 964 OD2 ASP A 62 10.184 -3.807 -13.096 1.00 0.00 O ATOM 0 H ASP A 62 9.613 -3.491 -8.726 1.00 0.00 H new ATOM 0 HA ASP A 62 11.820 -3.707 -10.505 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.190 -3.347 -10.840 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.642 -1.654 -10.823 1.00 0.00 H new ATOM 969 N GLU A 63 13.268 -1.784 -9.970 1.00 0.00 N ATOM 970 CA GLU A 63 14.146 -0.645 -9.728 1.00 0.00 C ATOM 971 C GLU A 63 13.596 0.615 -10.391 1.00 0.00 C ATOM 972 O GLU A 63 13.635 1.702 -9.813 1.00 0.00 O ATOM 973 CB GLU A 63 15.553 -0.938 -10.253 1.00 0.00 C ATOM 974 CG GLU A 63 15.593 -1.279 -11.733 1.00 0.00 C ATOM 975 CD GLU A 63 16.793 -2.129 -12.103 1.00 0.00 C ATOM 976 OE1 GLU A 63 16.782 -3.338 -11.792 1.00 0.00 O ATOM 977 OE2 GLU A 63 17.742 -1.584 -12.705 1.00 0.00 O ATOM 0 H GLU A 63 13.744 -2.620 -10.308 1.00 0.00 H new ATOM 0 HA GLU A 63 14.195 -0.477 -8.652 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.187 -0.070 -10.072 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.978 -1.767 -9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.680 -1.808 -12.005 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.612 -0.357 -12.314 1.00 0.00 H new ATOM 984 N VAL A 64 13.086 0.462 -11.609 1.00 0.00 N ATOM 985 CA VAL A 64 12.528 1.587 -12.351 1.00 0.00 C ATOM 986 C VAL A 64 11.285 2.137 -11.661 1.00 0.00 C ATOM 987 O VAL A 64 11.288 3.258 -11.151 1.00 0.00 O ATOM 988 CB VAL A 64 12.166 1.183 -13.792 1.00 0.00 C ATOM 989 CG1 VAL A 64 11.586 2.368 -14.549 1.00 0.00 C ATOM 990 CG2 VAL A 64 13.385 0.626 -14.511 1.00 0.00 C ATOM 0 H VAL A 64 13.048 -0.430 -12.103 1.00 0.00 H new ATOM 0 HA VAL A 64 13.296 2.360 -12.380 1.00 0.00 H new ATOM 0 HB VAL A 64 11.407 0.401 -13.752 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.336 2.063 -15.565 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.686 2.718 -14.043 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.320 3.173 -14.582 1.00 0.00 H new ATOM 0 HG21 VAL A 64 13.111 0.346 -15.528 1.00 0.00 H new ATOM 0 HG22 VAL A 64 14.167 1.384 -14.542 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.752 -0.252 -13.979 1.00 0.00 H new ATOM 1000 N LYS A 65 10.220 1.342 -11.649 1.00 0.00 N ATOM 1001 CA LYS A 65 8.969 1.747 -11.020 1.00 0.00 C ATOM 1002 C LYS A 65 9.220 2.330 -9.633 1.00 0.00 C ATOM 1003 O LYS A 65 8.564 3.288 -9.224 1.00 0.00 O ATOM 1004 CB LYS A 65 8.015 0.555 -10.919 1.00 0.00 C ATOM 1005 CG LYS A 65 7.752 -0.129 -12.250 1.00 0.00 C ATOM 1006 CD LYS A 65 6.660 -1.179 -12.132 1.00 0.00 C ATOM 1007 CE LYS A 65 6.598 -2.060 -13.370 1.00 0.00 C ATOM 1008 NZ LYS A 65 5.925 -1.373 -14.507 1.00 0.00 N ATOM 0 H LYS A 65 10.199 0.412 -12.068 1.00 0.00 H new ATOM 0 HA LYS A 65 8.513 2.518 -11.641 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.429 -0.173 -10.222 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.067 0.894 -10.501 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.463 0.616 -12.992 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.670 -0.596 -12.608 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.842 -1.797 -11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.697 -0.689 -11.984 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.608 -2.344 -13.664 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.064 -2.980 -13.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.903 -2.007 -15.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.952 -1.124 -14.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.449 -0.508 -14.749 1.00 0.00 H new ATOM 1022 N ARG A 66 10.174 1.746 -8.915 1.00 0.00 N ATOM 1023 CA ARG A 66 10.511 2.208 -7.574 1.00 0.00 C ATOM 1024 C ARG A 66 11.029 3.643 -7.608 1.00 0.00 C ATOM 1025 O ARG A 66 10.515 4.517 -6.909 1.00 0.00 O ATOM 1026 CB ARG A 66 11.561 1.291 -6.945 1.00 0.00 C ATOM 1027 CG ARG A 66 11.695 1.461 -5.440 1.00 0.00 C ATOM 1028 CD ARG A 66 12.857 0.649 -4.889 1.00 0.00 C ATOM 1029 NE ARG A 66 12.632 0.240 -3.506 1.00 0.00 N ATOM 1030 CZ ARG A 66 13.560 -0.334 -2.748 1.00 0.00 C ATOM 1031 NH1 ARG A 66 14.770 -0.565 -3.238 1.00 0.00 N ATOM 1032 NH2 ARG A 66 13.278 -0.677 -1.498 1.00 0.00 N ATOM 0 H ARG A 66 10.727 0.953 -9.239 1.00 0.00 H new ATOM 0 HA ARG A 66 9.605 2.181 -6.969 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.304 0.255 -7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.527 1.485 -7.412 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.842 2.515 -5.203 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.770 1.151 -4.954 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.007 -0.235 -5.509 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.772 1.239 -4.948 1.00 0.00 H new ATOM 0 HE ARG A 66 11.711 0.404 -3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.990 -0.302 -4.199 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.481 -1.006 -2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.348 -0.500 -1.118 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.991 -1.118 -0.917 1.00 0.00 H new ATOM 1046 N LYS A 67 12.051 3.879 -8.425 1.00 0.00 N ATOM 1047 CA LYS A 67 12.639 5.207 -8.551 1.00 0.00 C ATOM 1048 C LYS A 67 11.560 6.260 -8.788 1.00 0.00 C ATOM 1049 O LYS A 67 11.591 7.336 -8.193 1.00 0.00 O ATOM 1050 CB LYS A 67 13.651 5.232 -9.699 1.00 0.00 C ATOM 1051 CG LYS A 67 14.623 6.397 -9.628 1.00 0.00 C ATOM 1052 CD LYS A 67 15.660 6.327 -10.736 1.00 0.00 C ATOM 1053 CE LYS A 67 16.752 5.319 -10.413 1.00 0.00 C ATOM 1054 NZ LYS A 67 16.334 3.926 -10.733 1.00 0.00 N ATOM 0 H LYS A 67 12.489 3.167 -9.010 1.00 0.00 H new ATOM 0 HA LYS A 67 13.151 5.440 -7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.214 4.299 -9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.113 5.276 -10.646 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.073 7.335 -9.702 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.123 6.396 -8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.175 6.052 -11.673 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.104 7.312 -10.883 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.652 5.566 -10.976 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.008 5.387 -9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.179 3.399 -9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.452 3.946 -11.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.079 3.459 -11.289 1.00 0.00 H new ATOM 1068 N GLN A 68 10.609 5.940 -9.659 1.00 0.00 N ATOM 1069 CA GLN A 68 9.521 6.858 -9.973 1.00 0.00 C ATOM 1070 C GLN A 68 8.614 7.061 -8.763 1.00 0.00 C ATOM 1071 O GLN A 68 8.220 8.186 -8.452 1.00 0.00 O ATOM 1072 CB GLN A 68 8.705 6.331 -11.154 1.00 0.00 C ATOM 1073 CG GLN A 68 9.314 6.657 -12.508 1.00 0.00 C ATOM 1074 CD GLN A 68 8.288 6.664 -13.624 1.00 0.00 C ATOM 1075 OE1 GLN A 68 7.178 6.155 -13.465 1.00 0.00 O ATOM 1076 NE2 GLN A 68 8.654 7.243 -14.762 1.00 0.00 N ATOM 0 H GLN A 68 10.570 5.052 -10.160 1.00 0.00 H new ATOM 0 HA GLN A 68 9.957 7.820 -10.243 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.604 5.250 -11.061 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.700 6.750 -11.106 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.798 7.632 -12.459 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.090 5.927 -12.738 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.584 7.652 -14.850 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.005 7.278 -15.548 1.00 0.00 H new ATOM 1085 N TYR A 69 8.287 5.967 -8.085 1.00 0.00 N ATOM 1086 CA TYR A 69 7.424 6.025 -6.911 1.00 0.00 C ATOM 1087 C TYR A 69 8.050 6.883 -5.817 1.00 0.00 C ATOM 1088 O TYR A 69 7.372 7.691 -5.182 1.00 0.00 O ATOM 1089 CB TYR A 69 7.157 4.616 -6.380 1.00 0.00 C ATOM 1090 CG TYR A 69 6.840 4.576 -4.902 1.00 0.00 C ATOM 1091 CD1 TYR A 69 5.878 5.416 -4.354 1.00 0.00 C ATOM 1092 CD2 TYR A 69 7.503 3.698 -4.053 1.00 0.00 C ATOM 1093 CE1 TYR A 69 5.586 5.384 -3.005 1.00 0.00 C ATOM 1094 CE2 TYR A 69 7.217 3.658 -2.702 1.00 0.00 C ATOM 1095 CZ TYR A 69 6.258 4.503 -2.182 1.00 0.00 C ATOM 1096 OH TYR A 69 5.969 4.467 -0.837 1.00 0.00 O ATOM 0 H TYR A 69 8.606 5.029 -8.328 1.00 0.00 H new ATOM 0 HA TYR A 69 6.479 6.480 -7.207 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.325 4.180 -6.933 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.030 3.993 -6.573 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.349 6.106 -4.995 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.255 3.036 -4.456 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.836 6.045 -2.596 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.741 2.969 -2.056 1.00 0.00 H new ATOM 0 HH TYR A 69 6.594 3.863 -0.384 1.00 0.00 H new ATOM 1106 N ASP A 70 9.348 6.702 -5.602 1.00 0.00 N ATOM 1107 CA ASP A 70 10.068 7.460 -4.585 1.00 0.00 C ATOM 1108 C ASP A 70 10.191 8.927 -4.987 1.00 0.00 C ATOM 1109 O ASP A 70 9.933 9.824 -4.186 1.00 0.00 O ATOM 1110 CB ASP A 70 11.458 6.862 -4.361 1.00 0.00 C ATOM 1111 CG ASP A 70 12.153 7.450 -3.149 1.00 0.00 C ATOM 1112 OD1 ASP A 70 11.460 7.744 -2.153 1.00 0.00 O ATOM 1113 OD2 ASP A 70 13.390 7.618 -3.197 1.00 0.00 O ATOM 0 H ASP A 70 9.924 6.037 -6.118 1.00 0.00 H new ATOM 0 HA ASP A 70 9.502 7.402 -3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.370 5.783 -4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.071 7.033 -5.246 1.00 0.00 H new