USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 672 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 HIS : no HD1:sc= 0.678 K(o=0.66,f=-5.1!) USER MOD Set 1.2: B 40 TYR OH : rot 180:sc= -0.0164 USER MOD Set 2.1: A 30 TYR OH : rot -21:sc= 0.176 USER MOD Set 2.2: A 42 HIS : no HD1:sc= 0.56 K(o=0.74,f=-3.4!) USER MOD Set 3.1: A 40 TYR OH : rot 41:sc= 0.0314 USER MOD Set 3.2: B 33 HIS : no HD1:sc= -0.412 K(o=-0.38,f=-3.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -107:sc= 1.28 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0697 USER MOD Single : A 29 TYR OH : rot 165:sc= -0.147 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 1.14 K(o=1.1,f=-0.011) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0346 (180deg=-0.274) USER MOD Single : A 39 GLN : amide:sc= 0.849 K(o=0.85,f=-0.28) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ 148:sc= 0.00567 (180deg=0) USER MOD Single : B 2 SER OG : rot -86:sc= 0.0978 USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot -150:sc= -0.0245 USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= -0.138 USER MOD Single : B 30 TYR OH : rot 28:sc= 0.751 USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.475 K(o=0.48,f=-0.044) USER MOD Single : B 36 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0214) USER MOD Single : B 39 GLN : amide:sc= 1.28 K(o=1.3,f=-0.053) USER MOD Single : B 42 HIS : no HD1:sc= -1.03 X(o=-1,f=-1.1) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.447 -16.600 -21.368 1.00 0.00 N ATOM 2 CA GLY A 1 -10.769 -15.659 -20.474 1.00 0.00 C ATOM 3 C GLY A 1 -11.438 -15.665 -19.117 1.00 0.00 C ATOM 4 O GLY A 1 -11.515 -16.707 -18.461 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.982 -16.591 -22.298 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.398 -17.558 -20.966 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.443 -16.320 -21.476 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.719 -15.933 -20.373 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.797 -14.656 -20.899 1.00 0.00 H new ATOM 8 N SER A 2 -11.929 -14.515 -18.667 1.00 0.00 N ATOM 9 CA SER A 2 -12.605 -14.339 -17.389 1.00 0.00 C ATOM 10 C SER A 2 -13.877 -13.513 -17.597 1.00 0.00 C ATOM 11 O SER A 2 -14.028 -12.832 -18.615 1.00 0.00 O ATOM 12 CB SER A 2 -11.639 -13.747 -16.343 1.00 0.00 C ATOM 13 OG SER A 2 -10.633 -12.894 -16.877 1.00 0.00 O ATOM 0 H SER A 2 -11.864 -13.649 -19.203 1.00 0.00 H new ATOM 0 HA SER A 2 -12.917 -15.303 -16.987 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.219 -13.187 -15.609 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.156 -14.566 -15.810 1.00 0.00 H new ATOM 0 HG SER A 2 -10.067 -12.561 -16.150 1.00 0.00 H new ATOM 19 N SER A 3 -14.797 -13.586 -16.636 1.00 0.00 N ATOM 20 CA SER A 3 -16.074 -12.889 -16.645 1.00 0.00 C ATOM 21 C SER A 3 -16.367 -12.437 -15.210 1.00 0.00 C ATOM 22 O SER A 3 -15.889 -13.077 -14.264 1.00 0.00 O ATOM 23 CB SER A 3 -17.129 -13.870 -17.176 1.00 0.00 C ATOM 24 OG SER A 3 -18.254 -13.199 -17.694 1.00 0.00 O ATOM 0 H SER A 3 -14.664 -14.155 -15.800 1.00 0.00 H new ATOM 0 HA SER A 3 -16.073 -12.006 -17.285 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.687 -14.493 -17.954 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.442 -14.537 -16.373 1.00 0.00 H new ATOM 0 HG SER A 3 -18.903 -13.855 -18.024 1.00 0.00 H new ATOM 30 N GLY A 4 -17.145 -11.373 -15.037 1.00 0.00 N ATOM 31 CA GLY A 4 -17.524 -10.792 -13.754 1.00 0.00 C ATOM 32 C GLY A 4 -18.304 -9.500 -14.004 1.00 0.00 C ATOM 33 O GLY A 4 -18.434 -9.086 -15.163 1.00 0.00 O ATOM 0 H GLY A 4 -17.548 -10.868 -15.826 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.133 -11.496 -13.187 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.636 -10.586 -13.157 1.00 0.00 H new ATOM 37 N SER A 5 -18.785 -8.831 -12.955 1.00 0.00 N ATOM 38 CA SER A 5 -19.561 -7.601 -13.060 1.00 0.00 C ATOM 39 C SER A 5 -19.305 -6.703 -11.841 1.00 0.00 C ATOM 40 O SER A 5 -19.941 -6.857 -10.793 1.00 0.00 O ATOM 41 CB SER A 5 -21.036 -8.007 -13.211 1.00 0.00 C ATOM 42 OG SER A 5 -21.903 -6.913 -13.441 1.00 0.00 O ATOM 0 H SER A 5 -18.642 -9.137 -11.993 1.00 0.00 H new ATOM 0 HA SER A 5 -19.267 -7.010 -13.927 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.127 -8.712 -14.037 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.355 -8.529 -12.309 1.00 0.00 H new ATOM 0 HG SER A 5 -22.823 -7.238 -13.529 1.00 0.00 H new ATOM 48 N SER A 6 -18.327 -5.798 -11.924 1.00 0.00 N ATOM 49 CA SER A 6 -17.996 -4.862 -10.853 1.00 0.00 C ATOM 50 C SER A 6 -17.281 -3.629 -11.418 1.00 0.00 C ATOM 51 O SER A 6 -16.510 -3.726 -12.383 1.00 0.00 O ATOM 52 CB SER A 6 -17.197 -5.560 -9.747 1.00 0.00 C ATOM 53 OG SER A 6 -16.052 -6.255 -10.224 1.00 0.00 O ATOM 0 H SER A 6 -17.736 -5.695 -12.749 1.00 0.00 H new ATOM 0 HA SER A 6 -18.918 -4.508 -10.392 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.882 -4.817 -9.014 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.849 -6.263 -9.228 1.00 0.00 H new ATOM 0 HG SER A 6 -15.587 -6.675 -9.471 1.00 0.00 H new ATOM 59 N GLY A 7 -17.523 -2.470 -10.806 1.00 0.00 N ATOM 60 CA GLY A 7 -16.949 -1.193 -11.207 1.00 0.00 C ATOM 61 C GLY A 7 -15.484 -1.041 -10.787 1.00 0.00 C ATOM 62 O GLY A 7 -14.994 -1.837 -9.985 1.00 0.00 O ATOM 0 H GLY A 7 -18.140 -2.395 -9.997 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.024 -1.090 -12.290 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.533 -0.384 -10.769 1.00 0.00 H new ATOM 66 N PRO A 8 -14.785 -0.004 -11.281 1.00 0.00 N ATOM 67 CA PRO A 8 -13.387 0.282 -10.990 1.00 0.00 C ATOM 68 C PRO A 8 -13.098 0.470 -9.500 1.00 0.00 C ATOM 69 O PRO A 8 -12.484 -0.400 -8.882 1.00 0.00 O ATOM 70 CB PRO A 8 -13.018 1.515 -11.831 1.00 0.00 C ATOM 71 CG PRO A 8 -14.357 2.164 -12.167 1.00 0.00 C ATOM 72 CD PRO A 8 -15.296 0.964 -12.231 1.00 0.00 C ATOM 0 HA PRO A 8 -12.764 -0.572 -11.257 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.375 2.197 -11.274 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -12.477 1.232 -12.734 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -14.664 2.880 -11.405 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.321 2.703 -13.114 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -16.316 1.255 -11.979 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.323 0.545 -13.237 1.00 0.00 H new ATOM 80 N LEU A 9 -13.487 1.612 -8.935 1.00 0.00 N ATOM 81 CA LEU A 9 -13.269 1.985 -7.546 1.00 0.00 C ATOM 82 C LEU A 9 -14.328 3.003 -7.130 1.00 0.00 C ATOM 83 O LEU A 9 -15.222 3.326 -7.914 1.00 0.00 O ATOM 84 CB LEU A 9 -11.829 2.540 -7.389 1.00 0.00 C ATOM 85 CG LEU A 9 -11.376 3.648 -8.376 1.00 0.00 C ATOM 86 CD1 LEU A 9 -12.095 4.986 -8.186 1.00 0.00 C ATOM 87 CD2 LEU A 9 -9.872 3.887 -8.225 1.00 0.00 C ATOM 0 H LEU A 9 -13.984 2.331 -9.460 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.365 1.119 -6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.728 2.930 -6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.135 1.704 -7.480 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.632 3.282 -9.370 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.722 5.706 -8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.166 4.847 -8.330 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.910 5.359 -7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.556 4.666 -8.919 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.654 4.201 -7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.333 2.965 -8.444 1.00 0.00 H new ATOM 99 N GLU A 10 -14.233 3.488 -5.896 1.00 0.00 N ATOM 100 CA GLU A 10 -15.107 4.476 -5.275 1.00 0.00 C ATOM 101 C GLU A 10 -14.212 5.520 -4.593 1.00 0.00 C ATOM 102 O GLU A 10 -12.984 5.444 -4.706 1.00 0.00 O ATOM 103 CB GLU A 10 -16.046 3.799 -4.268 1.00 0.00 C ATOM 104 CG GLU A 10 -17.077 2.873 -4.920 1.00 0.00 C ATOM 105 CD GLU A 10 -17.736 2.002 -3.860 1.00 0.00 C ATOM 106 OE1 GLU A 10 -18.451 2.552 -2.991 1.00 0.00 O ATOM 107 OE2 GLU A 10 -17.461 0.776 -3.860 1.00 0.00 O ATOM 0 H GLU A 10 -13.495 3.181 -5.262 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.737 4.961 -6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.451 3.224 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.569 4.567 -3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -17.832 3.464 -5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.593 2.246 -5.669 1.00 0.00 H new ATOM 114 N ARG A 11 -14.810 6.487 -3.890 1.00 0.00 N ATOM 115 CA ARG A 11 -14.102 7.556 -3.182 1.00 0.00 C ATOM 116 C ARG A 11 -14.724 7.842 -1.808 1.00 0.00 C ATOM 117 O ARG A 11 -14.566 8.944 -1.287 1.00 0.00 O ATOM 118 CB ARG A 11 -14.004 8.796 -4.092 1.00 0.00 C ATOM 119 CG ARG A 11 -15.374 9.402 -4.435 1.00 0.00 C ATOM 120 CD ARG A 11 -15.304 10.521 -5.477 1.00 0.00 C ATOM 121 NE ARG A 11 -14.894 10.004 -6.793 1.00 0.00 N ATOM 122 CZ ARG A 11 -15.280 10.410 -8.007 1.00 0.00 C ATOM 123 NH1 ARG A 11 -16.164 11.383 -8.191 1.00 0.00 N ATOM 124 NH2 ARG A 11 -14.782 9.802 -9.072 1.00 0.00 N ATOM 0 H ARG A 11 -15.824 6.549 -3.796 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.084 7.234 -2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.392 9.552 -3.601 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.493 8.522 -5.015 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -16.029 8.613 -4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -15.828 9.793 -3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -16.278 11.003 -5.561 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.598 11.283 -5.148 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.226 9.233 -6.776 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -16.579 11.854 -7.387 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.429 11.660 -9.136 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.116 9.038 -8.958 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.064 10.097 -10.007 1.00 0.00 H new ATOM 138 N GLU A 12 -15.493 6.900 -1.254 1.00 0.00 N ATOM 139 CA GLU A 12 -16.135 7.044 0.055 1.00 0.00 C ATOM 140 C GLU A 12 -15.093 6.854 1.174 1.00 0.00 C ATOM 141 O GLU A 12 -13.903 6.672 0.892 1.00 0.00 O ATOM 142 CB GLU A 12 -17.270 6.013 0.229 1.00 0.00 C ATOM 143 CG GLU A 12 -18.171 5.771 -0.991 1.00 0.00 C ATOM 144 CD GLU A 12 -18.658 7.043 -1.681 1.00 0.00 C ATOM 145 OE1 GLU A 12 -19.191 7.953 -1.004 1.00 0.00 O ATOM 146 OE2 GLU A 12 -18.516 7.108 -2.925 1.00 0.00 O ATOM 0 H GLU A 12 -15.689 6.007 -1.707 1.00 0.00 H new ATOM 0 HA GLU A 12 -16.562 8.045 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -16.824 5.061 0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -17.899 6.335 1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -17.626 5.166 -1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -19.037 5.189 -0.677 1.00 0.00 H new ATOM 153 N GLY A 13 -15.530 6.909 2.439 1.00 0.00 N ATOM 154 CA GLY A 13 -14.686 6.723 3.621 1.00 0.00 C ATOM 155 C GLY A 13 -14.137 5.291 3.683 1.00 0.00 C ATOM 156 O GLY A 13 -14.441 4.463 2.817 1.00 0.00 O ATOM 0 H GLY A 13 -16.507 7.089 2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.859 7.433 3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -15.263 6.935 4.521 1.00 0.00 H new ATOM 160 N LEU A 14 -13.317 4.969 4.687 1.00 0.00 N ATOM 161 CA LEU A 14 -12.728 3.636 4.830 1.00 0.00 C ATOM 162 C LEU A 14 -12.788 3.122 6.262 1.00 0.00 C ATOM 163 O LEU A 14 -12.786 3.921 7.201 1.00 0.00 O ATOM 164 CB LEU A 14 -11.252 3.669 4.404 1.00 0.00 C ATOM 165 CG LEU A 14 -11.019 3.639 2.888 1.00 0.00 C ATOM 166 CD1 LEU A 14 -9.528 3.837 2.621 1.00 0.00 C ATOM 167 CD2 LEU A 14 -11.426 2.291 2.283 1.00 0.00 C ATOM 0 H LEU A 14 -13.044 5.623 5.421 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.311 2.969 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.791 4.569 4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.740 2.818 4.853 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.622 4.427 2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.345 3.818 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.210 4.798 3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.963 3.037 3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.247 2.306 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.836 1.495 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.484 2.112 2.472 1.00 0.00 H new ATOM 179 N PRO A 15 -12.805 1.792 6.454 1.00 0.00 N ATOM 180 CA PRO A 15 -12.840 1.203 7.782 1.00 0.00 C ATOM 181 C PRO A 15 -11.498 1.417 8.492 1.00 0.00 C ATOM 182 O PRO A 15 -10.499 1.766 7.845 1.00 0.00 O ATOM 183 CB PRO A 15 -13.106 -0.291 7.569 1.00 0.00 C ATOM 184 CG PRO A 15 -12.646 -0.564 6.143 1.00 0.00 C ATOM 185 CD PRO A 15 -12.803 0.764 5.421 1.00 0.00 C ATOM 0 HA PRO A 15 -13.609 1.658 8.407 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.554 -0.898 8.287 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -14.162 -0.528 7.697 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.611 -0.906 6.120 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.249 -1.342 5.675 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.987 0.922 4.716 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.729 0.788 4.847 1.00 0.00 H new ATOM 193 N PRO A 16 -11.441 1.190 9.815 1.00 0.00 N ATOM 194 CA PRO A 16 -10.202 1.339 10.558 1.00 0.00 C ATOM 195 C PRO A 16 -9.217 0.315 9.993 1.00 0.00 C ATOM 196 O PRO A 16 -9.603 -0.807 9.642 1.00 0.00 O ATOM 197 CB PRO A 16 -10.565 1.107 12.029 1.00 0.00 C ATOM 198 CG PRO A 16 -11.849 0.280 11.969 1.00 0.00 C ATOM 199 CD PRO A 16 -12.526 0.772 10.691 1.00 0.00 C ATOM 0 HA PRO A 16 -9.730 2.318 10.475 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.773 0.576 12.556 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.722 2.049 12.555 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.637 -0.788 11.926 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.475 0.446 12.845 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -13.120 -0.018 10.232 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.204 1.600 10.899 1.00 0.00 H new ATOM 207 N GLY A 17 -7.951 0.697 9.860 1.00 0.00 N ATOM 208 CA GLY A 17 -6.930 -0.190 9.332 1.00 0.00 C ATOM 209 C GLY A 17 -6.796 -0.159 7.807 1.00 0.00 C ATOM 210 O GLY A 17 -5.867 -0.784 7.298 1.00 0.00 O ATOM 0 H GLY A 17 -7.609 1.624 10.114 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.970 0.076 9.775 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.154 -1.210 9.645 1.00 0.00 H new ATOM 214 N TRP A 18 -7.689 0.480 7.047 1.00 0.00 N ATOM 215 CA TRP A 18 -7.553 0.540 5.590 1.00 0.00 C ATOM 216 C TRP A 18 -7.062 1.914 5.166 1.00 0.00 C ATOM 217 O TRP A 18 -7.269 2.896 5.873 1.00 0.00 O ATOM 218 CB TRP A 18 -8.881 0.212 4.913 1.00 0.00 C ATOM 219 CG TRP A 18 -9.050 -1.242 4.639 1.00 0.00 C ATOM 220 CD1 TRP A 18 -9.517 -2.155 5.514 1.00 0.00 C ATOM 221 CD2 TRP A 18 -8.718 -1.972 3.421 1.00 0.00 C ATOM 222 NE1 TRP A 18 -9.565 -3.386 4.900 1.00 0.00 N ATOM 223 CE2 TRP A 18 -9.072 -3.337 3.615 1.00 0.00 C ATOM 224 CE3 TRP A 18 -8.161 -1.616 2.172 1.00 0.00 C ATOM 225 CZ2 TRP A 18 -8.905 -4.298 2.609 1.00 0.00 C ATOM 226 CZ3 TRP A 18 -7.967 -2.571 1.156 1.00 0.00 C ATOM 227 CH2 TRP A 18 -8.356 -3.904 1.377 1.00 0.00 C ATOM 0 H TRP A 18 -8.510 0.961 7.414 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.819 -0.203 5.278 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -9.700 0.555 5.546 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -8.951 0.763 3.975 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -9.807 -1.953 6.534 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -9.923 -4.232 5.343 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -7.878 -0.589 1.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.194 -5.325 2.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -7.523 -2.282 0.215 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.231 -4.634 0.591 1.00 0.00 H new ATOM 238 N GLU A 19 -6.435 1.990 3.993 1.00 0.00 N ATOM 239 CA GLU A 19 -5.918 3.228 3.423 1.00 0.00 C ATOM 240 C GLU A 19 -6.075 3.178 1.896 1.00 0.00 C ATOM 241 O GLU A 19 -6.182 2.091 1.312 1.00 0.00 O ATOM 242 CB GLU A 19 -4.455 3.392 3.869 1.00 0.00 C ATOM 243 CG GLU A 19 -3.792 4.721 3.480 1.00 0.00 C ATOM 244 CD GLU A 19 -4.617 5.922 3.944 1.00 0.00 C ATOM 245 OE1 GLU A 19 -4.461 6.386 5.090 1.00 0.00 O ATOM 246 OE2 GLU A 19 -5.452 6.408 3.147 1.00 0.00 O ATOM 0 H GLU A 19 -6.270 1.175 3.402 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.473 4.098 3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.410 3.287 4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.870 2.576 3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.796 4.773 3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.666 4.762 2.398 1.00 0.00 H new ATOM 253 N ARG A 20 -6.093 4.355 1.266 1.00 0.00 N ATOM 254 CA ARG A 20 -6.235 4.599 -0.163 1.00 0.00 C ATOM 255 C ARG A 20 -5.070 5.494 -0.568 1.00 0.00 C ATOM 256 O ARG A 20 -4.921 6.598 -0.039 1.00 0.00 O ATOM 257 CB ARG A 20 -7.586 5.287 -0.394 1.00 0.00 C ATOM 258 CG ARG A 20 -7.860 5.742 -1.836 1.00 0.00 C ATOM 259 CD ARG A 20 -9.070 6.687 -1.895 1.00 0.00 C ATOM 260 NE ARG A 20 -8.845 7.909 -1.099 1.00 0.00 N ATOM 261 CZ ARG A 20 -9.447 9.095 -1.209 1.00 0.00 C ATOM 262 NH1 ARG A 20 -10.331 9.322 -2.174 1.00 0.00 N ATOM 263 NH2 ARG A 20 -9.145 10.047 -0.340 1.00 0.00 N ATOM 0 H ARG A 20 -6.001 5.227 1.787 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.215 3.685 -0.757 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.379 4.603 -0.091 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.648 6.156 0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.980 6.247 -2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.042 4.872 -2.467 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.270 6.959 -2.931 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.955 6.169 -1.525 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.136 7.838 -0.369 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.557 8.585 -2.842 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.784 10.233 -2.247 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.463 9.867 0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.594 10.960 -0.407 1.00 0.00 H new ATOM 277 N VAL A 21 -4.266 5.019 -1.506 1.00 0.00 N ATOM 278 CA VAL A 21 -3.088 5.687 -2.034 1.00 0.00 C ATOM 279 C VAL A 21 -3.411 6.252 -3.421 1.00 0.00 C ATOM 280 O VAL A 21 -4.217 5.660 -4.150 1.00 0.00 O ATOM 281 CB VAL A 21 -1.951 4.645 -2.113 1.00 0.00 C ATOM 282 CG1 VAL A 21 -0.634 5.280 -2.573 1.00 0.00 C ATOM 283 CG2 VAL A 21 -1.719 3.927 -0.772 1.00 0.00 C ATOM 0 H VAL A 21 -4.426 4.111 -1.942 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.780 6.514 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.275 3.909 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.142 4.516 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.767 5.719 -3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.339 6.057 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.910 3.205 -0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.452 4.658 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.630 3.408 -0.475 1.00 0.00 H new ATOM 293 N GLU A 22 -2.778 7.363 -3.801 1.00 0.00 N ATOM 294 CA GLU A 22 -2.943 8.030 -5.085 1.00 0.00 C ATOM 295 C GLU A 22 -1.574 8.378 -5.675 1.00 0.00 C ATOM 296 O GLU A 22 -0.728 8.978 -5.011 1.00 0.00 O ATOM 297 CB GLU A 22 -3.890 9.230 -4.971 1.00 0.00 C ATOM 298 CG GLU A 22 -3.486 10.339 -3.992 1.00 0.00 C ATOM 299 CD GLU A 22 -4.704 11.159 -3.570 1.00 0.00 C ATOM 300 OE1 GLU A 22 -5.413 11.717 -4.441 1.00 0.00 O ATOM 301 OE2 GLU A 22 -4.992 11.214 -2.348 1.00 0.00 O ATOM 0 H GLU A 22 -2.110 7.839 -3.195 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.423 7.350 -5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.997 9.673 -5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.873 8.860 -4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.015 9.900 -3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.747 10.991 -4.458 1.00 0.00 H new ATOM 308 N SER A 23 -1.371 8.019 -6.944 1.00 0.00 N ATOM 309 CA SER A 23 -0.133 8.230 -7.688 1.00 0.00 C ATOM 310 C SER A 23 -0.430 8.464 -9.169 1.00 0.00 C ATOM 311 O SER A 23 -1.563 8.300 -9.615 1.00 0.00 O ATOM 312 CB SER A 23 0.700 6.942 -7.589 1.00 0.00 C ATOM 313 OG SER A 23 0.842 6.475 -6.266 1.00 0.00 O ATOM 0 H SER A 23 -2.091 7.557 -7.499 1.00 0.00 H new ATOM 0 HA SER A 23 0.389 9.094 -7.277 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.231 6.166 -8.194 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.688 7.122 -8.012 1.00 0.00 H new ATOM 0 HG SER A 23 1.758 6.639 -5.958 1.00 0.00 H new ATOM 319 N SER A 24 0.553 8.863 -9.967 1.00 0.00 N ATOM 320 CA SER A 24 0.401 9.065 -11.405 1.00 0.00 C ATOM 321 C SER A 24 0.758 7.738 -12.085 1.00 0.00 C ATOM 322 O SER A 24 0.020 7.260 -12.947 1.00 0.00 O ATOM 323 CB SER A 24 1.320 10.196 -11.865 1.00 0.00 C ATOM 324 OG SER A 24 0.922 11.403 -11.242 1.00 0.00 O ATOM 0 H SER A 24 1.495 9.059 -9.628 1.00 0.00 H new ATOM 0 HA SER A 24 -0.618 9.351 -11.666 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.355 9.966 -11.611 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.274 10.300 -12.949 1.00 0.00 H new ATOM 0 HG SER A 24 1.510 12.131 -11.533 1.00 0.00 H new ATOM 330 N GLU A 25 1.827 7.086 -11.619 1.00 0.00 N ATOM 331 CA GLU A 25 2.338 5.811 -12.115 1.00 0.00 C ATOM 332 C GLU A 25 1.349 4.658 -11.891 1.00 0.00 C ATOM 333 O GLU A 25 1.366 3.684 -12.648 1.00 0.00 O ATOM 334 CB GLU A 25 3.661 5.539 -11.375 1.00 0.00 C ATOM 335 CG GLU A 25 4.512 4.397 -11.953 1.00 0.00 C ATOM 336 CD GLU A 25 5.844 4.196 -11.213 1.00 0.00 C ATOM 337 OE1 GLU A 25 6.383 5.169 -10.634 1.00 0.00 O ATOM 338 OE2 GLU A 25 6.420 3.087 -11.297 1.00 0.00 O ATOM 0 H GLU A 25 2.385 7.453 -10.848 1.00 0.00 H new ATOM 0 HA GLU A 25 2.489 5.872 -13.193 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.256 6.452 -11.380 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.436 5.311 -10.333 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.939 3.471 -11.913 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.716 4.601 -13.004 1.00 0.00 H new ATOM 345 N PHE A 26 0.451 4.801 -10.906 1.00 0.00 N ATOM 346 CA PHE A 26 -0.538 3.790 -10.528 1.00 0.00 C ATOM 347 C PHE A 26 -1.975 4.294 -10.436 1.00 0.00 C ATOM 348 O PHE A 26 -2.898 3.489 -10.322 1.00 0.00 O ATOM 349 CB PHE A 26 -0.139 3.217 -9.166 1.00 0.00 C ATOM 350 CG PHE A 26 1.343 2.948 -9.015 1.00 0.00 C ATOM 351 CD1 PHE A 26 1.985 2.065 -9.896 1.00 0.00 C ATOM 352 CD2 PHE A 26 2.087 3.608 -8.024 1.00 0.00 C ATOM 353 CE1 PHE A 26 3.361 1.817 -9.772 1.00 0.00 C ATOM 354 CE2 PHE A 26 3.464 3.357 -7.895 1.00 0.00 C ATOM 355 CZ PHE A 26 4.100 2.459 -8.766 1.00 0.00 C ATOM 0 H PHE A 26 0.394 5.646 -10.338 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.531 3.046 -11.324 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.452 3.912 -8.387 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.684 2.287 -9.002 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.418 1.574 -10.673 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.601 4.309 -7.361 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.850 1.133 -10.450 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.033 3.856 -7.125 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.157 2.262 -8.662 1.00 0.00 H new ATOM 365 N GLY A 27 -2.193 5.600 -10.453 1.00 0.00 N ATOM 366 CA GLY A 27 -3.526 6.183 -10.386 1.00 0.00 C ATOM 367 C GLY A 27 -4.041 6.189 -8.955 1.00 0.00 C ATOM 368 O GLY A 27 -3.873 7.181 -8.242 1.00 0.00 O ATOM 0 H GLY A 27 -1.445 6.291 -10.514 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.502 7.202 -10.773 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.208 5.617 -11.020 1.00 0.00 H new ATOM 372 N THR A 28 -4.660 5.093 -8.523 1.00 0.00 N ATOM 373 CA THR A 28 -5.217 4.959 -7.178 1.00 0.00 C ATOM 374 C THR A 28 -5.305 3.486 -6.774 1.00 0.00 C ATOM 375 O THR A 28 -5.707 2.663 -7.610 1.00 0.00 O ATOM 376 CB THR A 28 -6.660 5.525 -7.139 1.00 0.00 C ATOM 377 OG1 THR A 28 -6.892 6.589 -8.048 1.00 0.00 O ATOM 378 CG2 THR A 28 -7.063 5.971 -5.735 1.00 0.00 C ATOM 0 H THR A 28 -4.791 4.264 -9.102 1.00 0.00 H new ATOM 0 HA THR A 28 -4.563 5.504 -6.498 1.00 0.00 H new ATOM 0 HB THR A 28 -7.283 4.687 -7.452 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.821 6.892 -7.967 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.081 6.360 -5.755 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.013 5.121 -5.055 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.383 6.751 -5.392 1.00 0.00 H new ATOM 386 N TYR A 29 -4.937 3.116 -5.545 1.00 0.00 N ATOM 387 CA TYR A 29 -5.050 1.734 -5.069 1.00 0.00 C ATOM 388 C TYR A 29 -5.314 1.731 -3.564 1.00 0.00 C ATOM 389 O TYR A 29 -5.066 2.726 -2.890 1.00 0.00 O ATOM 390 CB TYR A 29 -3.833 0.888 -5.448 1.00 0.00 C ATOM 391 CG TYR A 29 -2.520 1.346 -4.873 1.00 0.00 C ATOM 392 CD1 TYR A 29 -1.759 2.331 -5.530 1.00 0.00 C ATOM 393 CD2 TYR A 29 -2.064 0.771 -3.676 1.00 0.00 C ATOM 394 CE1 TYR A 29 -0.516 2.718 -5.004 1.00 0.00 C ATOM 395 CE2 TYR A 29 -0.823 1.149 -3.153 1.00 0.00 C ATOM 396 CZ TYR A 29 -0.030 2.090 -3.835 1.00 0.00 C ATOM 397 OH TYR A 29 1.197 2.379 -3.347 1.00 0.00 O ATOM 0 H TYR A 29 -4.554 3.762 -4.854 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.897 1.264 -5.569 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.012 -0.138 -5.127 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.748 0.872 -6.535 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.130 2.788 -6.436 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.669 0.040 -3.161 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.064 3.489 -5.489 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.474 0.719 -2.226 1.00 0.00 H new ATOM 0 HH TYR A 29 1.270 2.047 -2.428 1.00 0.00 H new ATOM 407 N TYR A 30 -5.811 0.618 -3.024 1.00 0.00 N ATOM 408 CA TYR A 30 -6.106 0.473 -1.603 1.00 0.00 C ATOM 409 C TYR A 30 -5.209 -0.611 -1.015 1.00 0.00 C ATOM 410 O TYR A 30 -4.892 -1.584 -1.707 1.00 0.00 O ATOM 411 CB TYR A 30 -7.578 0.096 -1.414 1.00 0.00 C ATOM 412 CG TYR A 30 -8.580 1.140 -1.859 1.00 0.00 C ATOM 413 CD1 TYR A 30 -8.943 1.253 -3.215 1.00 0.00 C ATOM 414 CD2 TYR A 30 -9.164 1.991 -0.906 1.00 0.00 C ATOM 415 CE1 TYR A 30 -9.898 2.200 -3.619 1.00 0.00 C ATOM 416 CE2 TYR A 30 -10.135 2.925 -1.300 1.00 0.00 C ATOM 417 CZ TYR A 30 -10.514 3.031 -2.653 1.00 0.00 C ATOM 418 OH TYR A 30 -11.499 3.915 -2.964 1.00 0.00 O ATOM 0 H TYR A 30 -6.022 -0.217 -3.570 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.918 1.417 -1.091 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.772 -0.826 -1.962 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -7.748 -0.119 -0.359 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.484 0.607 -3.949 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.866 1.927 0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.161 2.294 -4.662 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.594 3.566 -0.562 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.463 4.121 -3.921 1.00 0.00 H new ATOM 428 N VAL A 31 -4.831 -0.480 0.258 1.00 0.00 N ATOM 429 CA VAL A 31 -3.978 -1.443 0.959 1.00 0.00 C ATOM 430 C VAL A 31 -4.665 -1.855 2.253 1.00 0.00 C ATOM 431 O VAL A 31 -5.298 -1.042 2.935 1.00 0.00 O ATOM 432 CB VAL A 31 -2.559 -0.891 1.187 1.00 0.00 C ATOM 433 CG1 VAL A 31 -1.649 -1.903 1.913 1.00 0.00 C ATOM 434 CG2 VAL A 31 -1.908 -0.584 -0.160 1.00 0.00 C ATOM 0 H VAL A 31 -5.113 0.309 0.840 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.845 -2.330 0.340 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.663 0.003 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.659 -1.468 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.078 -2.145 2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.566 -2.811 1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.903 -0.193 0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.851 -1.497 -0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.504 0.157 -0.692 1.00 0.00 H new ATOM 444 N ASP A 32 -4.514 -3.138 2.571 1.00 0.00 N ATOM 445 CA ASP A 32 -5.056 -3.795 3.742 1.00 0.00 C ATOM 446 C ASP A 32 -3.954 -4.095 4.734 1.00 0.00 C ATOM 447 O ASP A 32 -3.221 -5.066 4.568 1.00 0.00 O ATOM 448 CB ASP A 32 -5.677 -5.127 3.313 1.00 0.00 C ATOM 449 CG ASP A 32 -6.392 -5.835 4.460 1.00 0.00 C ATOM 450 OD1 ASP A 32 -6.702 -5.209 5.500 1.00 0.00 O ATOM 451 OD2 ASP A 32 -6.634 -7.050 4.303 1.00 0.00 O ATOM 0 H ASP A 32 -3.980 -3.776 1.982 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.797 -3.142 4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.384 -4.950 2.502 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.896 -5.778 2.919 1.00 0.00 H new ATOM 456 N HIS A 33 -3.840 -3.303 5.791 1.00 0.00 N ATOM 457 CA HIS A 33 -2.826 -3.525 6.814 1.00 0.00 C ATOM 458 C HIS A 33 -3.071 -4.838 7.582 1.00 0.00 C ATOM 459 O HIS A 33 -2.146 -5.356 8.207 1.00 0.00 O ATOM 460 CB HIS A 33 -2.813 -2.327 7.766 1.00 0.00 C ATOM 461 CG HIS A 33 -1.801 -1.269 7.433 1.00 0.00 C ATOM 462 ND1 HIS A 33 -0.442 -1.311 7.761 1.00 0.00 N ATOM 463 CD2 HIS A 33 -2.082 -0.084 6.828 1.00 0.00 C ATOM 464 CE1 HIS A 33 0.060 -0.134 7.342 1.00 0.00 C ATOM 465 NE2 HIS A 33 -0.897 0.605 6.765 1.00 0.00 N ATOM 0 H HIS A 33 -4.440 -2.497 5.963 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.853 -3.620 6.333 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.804 -1.873 7.770 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.623 -2.686 8.777 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.045 0.248 6.469 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.090 0.172 7.455 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.766 1.527 6.348 1.00 0.00 H new ATOM 473 N THR A 34 -4.279 -5.411 7.530 1.00 0.00 N ATOM 474 CA THR A 34 -4.626 -6.655 8.217 1.00 0.00 C ATOM 475 C THR A 34 -3.997 -7.877 7.540 1.00 0.00 C ATOM 476 O THR A 34 -3.693 -8.854 8.225 1.00 0.00 O ATOM 477 CB THR A 34 -6.161 -6.808 8.238 1.00 0.00 C ATOM 478 OG1 THR A 34 -6.750 -5.650 8.789 1.00 0.00 O ATOM 479 CG2 THR A 34 -6.669 -7.984 9.072 1.00 0.00 C ATOM 0 H THR A 34 -5.055 -5.014 6.999 1.00 0.00 H new ATOM 0 HA THR A 34 -4.233 -6.603 9.232 1.00 0.00 H new ATOM 0 HB THR A 34 -6.438 -6.978 7.197 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.725 -5.752 8.798 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.758 -8.016 9.031 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.263 -8.914 8.674 1.00 0.00 H new ATOM 0 HG23 THR A 34 -6.349 -7.862 10.107 1.00 0.00 H new ATOM 487 N ASN A 35 -3.780 -7.826 6.220 1.00 0.00 N ATOM 488 CA ASN A 35 -3.217 -8.937 5.446 1.00 0.00 C ATOM 489 C ASN A 35 -2.013 -8.524 4.609 1.00 0.00 C ATOM 490 O ASN A 35 -1.428 -9.361 3.932 1.00 0.00 O ATOM 491 CB ASN A 35 -4.301 -9.534 4.533 1.00 0.00 C ATOM 492 CG ASN A 35 -5.412 -10.192 5.328 1.00 0.00 C ATOM 493 OD1 ASN A 35 -5.342 -11.379 5.628 1.00 0.00 O ATOM 494 ND2 ASN A 35 -6.448 -9.452 5.671 1.00 0.00 N ATOM 0 H ASN A 35 -3.993 -7.004 5.655 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.870 -9.682 6.162 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.721 -8.747 3.906 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.849 -10.267 3.865 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.217 -9.865 6.199 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.480 -8.467 5.408 1.00 0.00 H new ATOM 501 N LYS A 36 -1.628 -7.248 4.651 1.00 0.00 N ATOM 502 CA LYS A 36 -0.510 -6.650 3.927 1.00 0.00 C ATOM 503 C LYS A 36 -0.677 -6.887 2.420 1.00 0.00 C ATOM 504 O LYS A 36 0.280 -7.285 1.758 1.00 0.00 O ATOM 505 CB LYS A 36 0.823 -7.160 4.527 1.00 0.00 C ATOM 506 CG LYS A 36 0.935 -6.930 6.052 1.00 0.00 C ATOM 507 CD LYS A 36 1.826 -5.771 6.481 1.00 0.00 C ATOM 508 CE LYS A 36 3.311 -6.117 6.342 1.00 0.00 C ATOM 509 NZ LYS A 36 3.777 -7.225 7.215 1.00 0.00 N ATOM 0 H LYS A 36 -2.119 -6.564 5.227 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.494 -5.567 4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.923 -8.225 4.319 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.653 -6.659 4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.066 -6.762 6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.312 -7.844 6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.599 -4.894 5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.609 -5.509 7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.512 -6.382 5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.899 -5.227 6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.817 -7.247 7.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.427 -7.075 8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.414 -8.129 6.852 1.00 0.00 H new ATOM 523 N ARG A 37 -1.889 -6.671 1.878 1.00 0.00 N ATOM 524 CA ARG A 37 -2.196 -6.867 0.452 1.00 0.00 C ATOM 525 C ARG A 37 -2.712 -5.577 -0.169 1.00 0.00 C ATOM 526 O ARG A 37 -3.330 -4.772 0.530 1.00 0.00 O ATOM 527 CB ARG A 37 -3.245 -7.980 0.259 1.00 0.00 C ATOM 528 CG ARG A 37 -2.805 -9.341 0.811 1.00 0.00 C ATOM 529 CD ARG A 37 -3.723 -10.495 0.390 1.00 0.00 C ATOM 530 NE ARG A 37 -5.021 -10.502 1.089 1.00 0.00 N ATOM 531 CZ ARG A 37 -5.776 -11.582 1.331 1.00 0.00 C ATOM 532 NH1 ARG A 37 -5.385 -12.793 0.950 1.00 0.00 N ATOM 533 NH2 ARG A 37 -6.927 -11.435 1.967 1.00 0.00 N ATOM 0 H ARG A 37 -2.690 -6.352 2.424 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.272 -7.162 -0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.173 -7.682 0.748 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.463 -8.082 -0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.791 -9.551 0.472 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.773 -9.290 1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.899 -10.435 -0.684 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.214 -11.440 0.578 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.376 -9.604 1.418 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.496 -12.913 0.464 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.974 -13.603 1.143 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.229 -10.508 2.266 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.512 -12.249 2.158 1.00 0.00 H new ATOM 547 N ALA A 38 -2.524 -5.408 -1.482 1.00 0.00 N ATOM 548 CA ALA A 38 -2.960 -4.241 -2.247 1.00 0.00 C ATOM 549 C ALA A 38 -4.035 -4.679 -3.252 1.00 0.00 C ATOM 550 O ALA A 38 -3.967 -5.790 -3.789 1.00 0.00 O ATOM 551 CB ALA A 38 -1.761 -3.587 -2.960 1.00 0.00 C ATOM 0 H ALA A 38 -2.049 -6.103 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.386 -3.496 -1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.103 -2.720 -3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.026 -3.271 -2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.305 -4.307 -3.640 1.00 0.00 H new ATOM 557 N GLN A 39 -5.034 -3.824 -3.490 1.00 0.00 N ATOM 558 CA GLN A 39 -6.144 -4.038 -4.420 1.00 0.00 C ATOM 559 C GLN A 39 -6.454 -2.741 -5.161 1.00 0.00 C ATOM 560 O GLN A 39 -5.954 -1.676 -4.798 1.00 0.00 O ATOM 561 CB GLN A 39 -7.365 -4.663 -3.732 1.00 0.00 C ATOM 562 CG GLN A 39 -8.009 -3.826 -2.621 1.00 0.00 C ATOM 563 CD GLN A 39 -9.129 -4.631 -1.966 1.00 0.00 C ATOM 564 OE1 GLN A 39 -8.869 -5.719 -1.449 1.00 0.00 O ATOM 565 NE2 GLN A 39 -10.359 -4.152 -1.990 1.00 0.00 N ATOM 0 H GLN A 39 -5.092 -2.922 -3.017 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.844 -4.773 -5.166 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.120 -4.867 -4.491 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.068 -5.624 -3.311 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.261 -3.551 -1.878 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.406 -2.898 -3.033 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.546 -3.248 -2.425 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.122 -4.686 -1.574 1.00 0.00 H new ATOM 574 N TYR A 40 -7.314 -2.825 -6.175 1.00 0.00 N ATOM 575 CA TYR A 40 -7.691 -1.698 -7.023 1.00 0.00 C ATOM 576 C TYR A 40 -9.139 -1.242 -6.852 1.00 0.00 C ATOM 577 O TYR A 40 -9.605 -0.406 -7.627 1.00 0.00 O ATOM 578 CB TYR A 40 -7.375 -2.084 -8.472 1.00 0.00 C ATOM 579 CG TYR A 40 -5.920 -2.460 -8.680 1.00 0.00 C ATOM 580 CD1 TYR A 40 -4.974 -1.455 -8.937 1.00 0.00 C ATOM 581 CD2 TYR A 40 -5.503 -3.801 -8.586 1.00 0.00 C ATOM 582 CE1 TYR A 40 -3.636 -1.790 -9.213 1.00 0.00 C ATOM 583 CE2 TYR A 40 -4.156 -4.135 -8.807 1.00 0.00 C ATOM 584 CZ TYR A 40 -3.226 -3.140 -9.174 1.00 0.00 C ATOM 585 OH TYR A 40 -1.943 -3.488 -9.458 1.00 0.00 O ATOM 0 H TYR A 40 -7.777 -3.696 -6.434 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.110 -0.827 -6.719 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -8.007 -2.922 -8.765 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.627 -1.250 -9.128 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.275 -0.418 -8.923 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.218 -4.573 -8.344 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.923 -1.015 -9.454 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.831 -5.159 -8.695 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.331 -2.837 -9.055 1.00 0.00 H new ATOM 595 N ARG A 41 -9.871 -1.791 -5.880 1.00 0.00 N ATOM 596 CA ARG A 41 -11.266 -1.412 -5.626 1.00 0.00 C ATOM 597 C ARG A 41 -11.466 -1.157 -4.141 1.00 0.00 C ATOM 598 O ARG A 41 -10.641 -1.600 -3.336 1.00 0.00 O ATOM 599 CB ARG A 41 -12.268 -2.444 -6.182 1.00 0.00 C ATOM 600 CG ARG A 41 -12.193 -3.849 -5.560 1.00 0.00 C ATOM 601 CD ARG A 41 -11.231 -4.750 -6.338 1.00 0.00 C ATOM 602 NE ARG A 41 -10.890 -5.956 -5.575 1.00 0.00 N ATOM 603 CZ ARG A 41 -10.272 -7.032 -6.064 1.00 0.00 C ATOM 604 NH1 ARG A 41 -9.861 -7.078 -7.325 1.00 0.00 N ATOM 605 NH2 ARG A 41 -10.064 -8.059 -5.263 1.00 0.00 N ATOM 0 H ARG A 41 -9.516 -2.509 -5.248 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.472 -0.488 -6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.277 -2.057 -6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.110 -2.534 -7.257 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.866 -3.773 -4.523 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.186 -4.298 -5.549 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.685 -5.035 -7.287 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.321 -4.197 -6.572 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.147 -5.973 -4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.016 -6.280 -7.941 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.390 -7.911 -7.678 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.374 -8.019 -4.292 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.593 -8.893 -5.615 1.00 0.00 H new ATOM 619 N HIS A 42 -12.537 -0.443 -3.797 1.00 0.00 N ATOM 620 CA HIS A 42 -12.870 -0.118 -2.413 1.00 0.00 C ATOM 621 C HIS A 42 -13.054 -1.438 -1.642 1.00 0.00 C ATOM 622 O HIS A 42 -13.632 -2.369 -2.214 1.00 0.00 O ATOM 623 CB HIS A 42 -14.123 0.764 -2.420 1.00 0.00 C ATOM 624 CG HIS A 42 -14.439 1.413 -1.104 1.00 0.00 C ATOM 625 ND1 HIS A 42 -15.339 0.909 -0.169 1.00 0.00 N ATOM 626 CD2 HIS A 42 -13.908 2.582 -0.642 1.00 0.00 C ATOM 627 CE1 HIS A 42 -15.289 1.761 0.870 1.00 0.00 C ATOM 628 NE2 HIS A 42 -14.462 2.783 0.601 1.00 0.00 N ATOM 0 H HIS A 42 -13.202 -0.072 -4.476 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.082 0.443 -1.911 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.999 1.542 -3.173 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.976 0.158 -2.725 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -13.198 3.219 -1.149 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -15.838 1.640 1.792 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.275 3.576 1.215 1.00 0.00 H new ATOM 636 N PRO A 43 -12.565 -1.555 -0.398 1.00 0.00 N ATOM 637 CA PRO A 43 -12.664 -2.777 0.391 1.00 0.00 C ATOM 638 C PRO A 43 -14.057 -3.083 0.928 1.00 0.00 C ATOM 639 O PRO A 43 -14.940 -2.223 0.943 1.00 0.00 O ATOM 640 CB PRO A 43 -11.698 -2.559 1.551 1.00 0.00 C ATOM 641 CG PRO A 43 -11.760 -1.057 1.781 1.00 0.00 C ATOM 642 CD PRO A 43 -11.874 -0.523 0.358 1.00 0.00 C ATOM 0 HA PRO A 43 -12.430 -3.636 -0.238 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.003 -3.115 2.438 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.689 -2.886 1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.616 -0.773 2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.869 -0.684 2.286 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.428 0.415 0.336 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.889 -0.322 -0.064 1.00 0.00 H new ATOM 650 N SER A 44 -14.219 -4.313 1.426 1.00 0.00 N ATOM 651 CA SER A 44 -15.464 -4.779 2.008 1.00 0.00 C ATOM 652 C SER A 44 -15.547 -4.242 3.439 1.00 0.00 C ATOM 653 O SER A 44 -16.273 -3.282 3.702 1.00 0.00 O ATOM 654 CB SER A 44 -15.556 -6.307 1.918 1.00 0.00 C ATOM 655 OG SER A 44 -15.342 -6.733 0.580 1.00 0.00 O ATOM 0 H SER A 44 -13.477 -5.013 1.432 1.00 0.00 H new ATOM 0 HA SER A 44 -16.326 -4.403 1.457 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.815 -6.763 2.575 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.535 -6.641 2.261 1.00 0.00 H new ATOM 0 HG SER A 44 -15.401 -7.710 0.534 1.00 0.00 H new ATOM 661 N GLY A 45 -14.765 -4.801 4.363 1.00 0.00 N ATOM 662 CA GLY A 45 -14.744 -4.394 5.760 1.00 0.00 C ATOM 663 C GLY A 45 -14.007 -5.431 6.607 1.00 0.00 C ATOM 664 O GLY A 45 -13.565 -6.455 6.070 1.00 0.00 O ATOM 0 H GLY A 45 -14.119 -5.562 4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -14.256 -3.424 5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -15.764 -4.275 6.126 1.00 0.00 H new ATOM 668 N PRO A 46 -13.817 -5.171 7.906 1.00 0.00 N ATOM 669 CA PRO A 46 -13.143 -6.072 8.835 1.00 0.00 C ATOM 670 C PRO A 46 -14.117 -7.143 9.344 1.00 0.00 C ATOM 671 O PRO A 46 -15.235 -7.260 8.836 1.00 0.00 O ATOM 672 CB PRO A 46 -12.725 -5.139 9.976 1.00 0.00 C ATOM 673 CG PRO A 46 -13.872 -4.135 10.057 1.00 0.00 C ATOM 674 CD PRO A 46 -14.303 -3.986 8.601 1.00 0.00 C ATOM 0 HA PRO A 46 -12.306 -6.609 8.388 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -12.601 -5.682 10.913 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -11.776 -4.647 9.764 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -14.686 -4.502 10.683 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.547 -3.185 10.481 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -15.387 -3.907 8.523 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -13.885 -3.080 8.163 1.00 0.00 H new ATOM 682 N SER A 47 -13.670 -7.976 10.289 1.00 0.00 N ATOM 683 CA SER A 47 -14.520 -8.984 10.902 1.00 0.00 C ATOM 684 C SER A 47 -14.918 -8.322 12.220 1.00 0.00 C ATOM 685 O SER A 47 -15.788 -7.454 12.198 1.00 0.00 O ATOM 686 CB SER A 47 -13.853 -10.357 11.034 1.00 0.00 C ATOM 687 OG SER A 47 -14.815 -11.262 11.532 1.00 0.00 O ATOM 0 H SER A 47 -12.714 -7.966 10.644 1.00 0.00 H new ATOM 0 HA SER A 47 -15.389 -9.248 10.299 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.478 -10.693 10.067 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.997 -10.302 11.707 1.00 0.00 H new ATOM 0 HG SER A 47 -14.412 -12.150 11.624 1.00 0.00 H new ATOM 693 N SER A 48 -14.244 -8.615 13.334 1.00 0.00 N ATOM 694 CA SER A 48 -14.547 -8.027 14.634 1.00 0.00 C ATOM 695 C SER A 48 -13.254 -7.846 15.453 1.00 0.00 C ATOM 696 O SER A 48 -12.196 -8.355 15.058 1.00 0.00 O ATOM 697 CB SER A 48 -15.556 -8.947 15.333 1.00 0.00 C ATOM 698 OG SER A 48 -16.739 -9.156 14.575 1.00 0.00 O ATOM 0 H SER A 48 -13.466 -9.274 13.356 1.00 0.00 H new ATOM 0 HA SER A 48 -14.983 -7.034 14.527 1.00 0.00 H new ATOM 0 HB2 SER A 48 -15.084 -9.909 15.531 1.00 0.00 H new ATOM 0 HB3 SER A 48 -15.822 -8.517 16.299 1.00 0.00 H new ATOM 0 HG SER A 48 -17.343 -9.750 15.068 1.00 0.00 H new ATOM 704 N GLY A 49 -13.313 -7.170 16.605 1.00 0.00 N ATOM 705 CA GLY A 49 -12.177 -6.925 17.486 1.00 0.00 C ATOM 706 C GLY A 49 -12.374 -5.649 18.282 1.00 0.00 C ATOM 707 O GLY A 49 -13.504 -5.124 18.275 1.00 0.00 O ATOM 0 H GLY A 49 -14.182 -6.768 16.957 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.051 -7.767 18.167 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.263 -6.853 16.896 1.00 0.00 H new TER 711 GLY A 49 ATOM 712 N GLY B 1 12.558 -16.634 20.600 1.00 0.00 N ATOM 713 CA GLY B 1 12.861 -15.283 20.124 1.00 0.00 C ATOM 714 C GLY B 1 13.431 -15.300 18.716 1.00 0.00 C ATOM 715 O GLY B 1 14.263 -16.156 18.393 1.00 0.00 O ATOM 0 H1 GLY B 1 12.699 -16.679 21.629 1.00 0.00 H new ATOM 0 H2 GLY B 1 11.570 -16.868 20.375 1.00 0.00 H new ATOM 0 H3 GLY B 1 13.190 -17.316 20.134 1.00 0.00 H new ATOM 0 HA2 GLY B 1 11.954 -14.678 20.143 1.00 0.00 H new ATOM 0 HA3 GLY B 1 13.574 -14.810 20.800 1.00 0.00 H new ATOM 719 N SER B 2 12.951 -14.410 17.850 1.00 0.00 N ATOM 720 CA SER B 2 13.405 -14.265 16.472 1.00 0.00 C ATOM 721 C SER B 2 14.819 -13.653 16.471 1.00 0.00 C ATOM 722 O SER B 2 15.361 -13.322 17.533 1.00 0.00 O ATOM 723 CB SER B 2 12.375 -13.425 15.688 1.00 0.00 C ATOM 724 OG SER B 2 11.656 -12.512 16.499 1.00 0.00 O ATOM 0 H SER B 2 12.213 -13.751 18.097 1.00 0.00 H new ATOM 0 HA SER B 2 13.475 -15.231 15.972 1.00 0.00 H new ATOM 0 HB2 SER B 2 12.891 -12.873 14.902 1.00 0.00 H new ATOM 0 HB3 SER B 2 11.670 -14.095 15.196 1.00 0.00 H new ATOM 0 HG SER B 2 10.880 -12.964 16.891 1.00 0.00 H new ATOM 730 N SER B 3 15.457 -13.549 15.306 1.00 0.00 N ATOM 731 CA SER B 3 16.792 -12.982 15.152 1.00 0.00 C ATOM 732 C SER B 3 16.908 -12.328 13.773 1.00 0.00 C ATOM 733 O SER B 3 16.105 -12.604 12.875 1.00 0.00 O ATOM 734 CB SER B 3 17.838 -14.095 15.325 1.00 0.00 C ATOM 735 OG SER B 3 18.411 -14.095 16.616 1.00 0.00 O ATOM 0 H SER B 3 15.050 -13.864 14.425 1.00 0.00 H new ATOM 0 HA SER B 3 16.969 -12.220 15.911 1.00 0.00 H new ATOM 0 HB2 SER B 3 17.371 -15.062 15.137 1.00 0.00 H new ATOM 0 HB3 SER B 3 18.624 -13.971 14.581 1.00 0.00 H new ATOM 0 HG SER B 3 19.068 -14.819 16.682 1.00 0.00 H new ATOM 741 N GLY B 4 17.943 -11.509 13.605 1.00 0.00 N ATOM 742 CA GLY B 4 18.274 -10.758 12.406 1.00 0.00 C ATOM 743 C GLY B 4 18.873 -9.417 12.830 1.00 0.00 C ATOM 744 O GLY B 4 19.193 -9.228 14.010 1.00 0.00 O ATOM 0 H GLY B 4 18.615 -11.344 14.355 1.00 0.00 H new ATOM 0 HA2 GLY B 4 18.984 -11.314 11.793 1.00 0.00 H new ATOM 0 HA3 GLY B 4 17.383 -10.601 11.798 1.00 0.00 H new ATOM 748 N SER B 5 19.055 -8.510 11.872 1.00 0.00 N ATOM 749 CA SER B 5 19.589 -7.177 12.076 1.00 0.00 C ATOM 750 C SER B 5 19.057 -6.335 10.919 1.00 0.00 C ATOM 751 O SER B 5 19.497 -6.485 9.774 1.00 0.00 O ATOM 752 CB SER B 5 21.120 -7.229 12.139 1.00 0.00 C ATOM 753 OG SER B 5 21.662 -6.055 12.712 1.00 0.00 O ATOM 0 H SER B 5 18.823 -8.697 10.896 1.00 0.00 H new ATOM 0 HA SER B 5 19.278 -6.734 13.022 1.00 0.00 H new ATOM 0 HB2 SER B 5 21.431 -8.095 12.723 1.00 0.00 H new ATOM 0 HB3 SER B 5 21.521 -7.362 11.134 1.00 0.00 H new ATOM 0 HG SER B 5 22.639 -6.124 12.737 1.00 0.00 H new ATOM 759 N SER B 6 18.057 -5.500 11.182 1.00 0.00 N ATOM 760 CA SER B 6 17.457 -4.642 10.177 1.00 0.00 C ATOM 761 C SER B 6 17.164 -3.261 10.739 1.00 0.00 C ATOM 762 O SER B 6 17.054 -3.076 11.954 1.00 0.00 O ATOM 763 CB SER B 6 16.193 -5.307 9.618 1.00 0.00 C ATOM 764 OG SER B 6 15.243 -5.650 10.612 1.00 0.00 O ATOM 0 H SER B 6 17.640 -5.402 12.108 1.00 0.00 H new ATOM 0 HA SER B 6 18.164 -4.506 9.359 1.00 0.00 H new ATOM 0 HB2 SER B 6 15.726 -4.634 8.899 1.00 0.00 H new ATOM 0 HB3 SER B 6 16.477 -6.207 9.073 1.00 0.00 H new ATOM 0 HG SER B 6 14.463 -6.067 10.189 1.00 0.00 H new ATOM 770 N GLY B 7 17.080 -2.281 9.841 1.00 0.00 N ATOM 771 CA GLY B 7 16.767 -0.923 10.233 1.00 0.00 C ATOM 772 C GLY B 7 15.258 -0.850 10.484 1.00 0.00 C ATOM 773 O GLY B 7 14.522 -1.767 10.105 1.00 0.00 O ATOM 0 H GLY B 7 17.225 -2.410 8.840 1.00 0.00 H new ATOM 0 HA2 GLY B 7 17.319 -0.647 11.132 1.00 0.00 H new ATOM 0 HA3 GLY B 7 17.060 -0.222 9.452 1.00 0.00 H new ATOM 777 N PRO B 8 14.771 0.225 11.116 1.00 0.00 N ATOM 778 CA PRO B 8 13.354 0.394 11.391 1.00 0.00 C ATOM 779 C PRO B 8 12.639 0.590 10.056 1.00 0.00 C ATOM 780 O PRO B 8 11.655 -0.087 9.759 1.00 0.00 O ATOM 781 CB PRO B 8 13.265 1.617 12.304 1.00 0.00 C ATOM 782 CG PRO B 8 14.537 2.420 12.019 1.00 0.00 C ATOM 783 CD PRO B 8 15.546 1.357 11.586 1.00 0.00 C ATOM 0 HA PRO B 8 12.883 -0.458 11.880 1.00 0.00 H new ATOM 0 HB2 PRO B 8 12.372 2.204 12.091 1.00 0.00 H new ATOM 0 HB3 PRO B 8 13.211 1.323 13.352 1.00 0.00 H new ATOM 0 HG2 PRO B 8 14.376 3.162 11.237 1.00 0.00 H new ATOM 0 HG3 PRO B 8 14.877 2.959 12.903 1.00 0.00 H new ATOM 0 HD2 PRO B 8 16.196 1.737 10.798 1.00 0.00 H new ATOM 0 HD3 PRO B 8 16.188 1.069 12.418 1.00 0.00 H new ATOM 791 N LEU B 9 13.154 1.531 9.272 1.00 0.00 N ATOM 792 CA LEU B 9 12.761 1.966 7.953 1.00 0.00 C ATOM 793 C LEU B 9 13.904 2.853 7.454 1.00 0.00 C ATOM 794 O LEU B 9 14.901 3.066 8.155 1.00 0.00 O ATOM 795 CB LEU B 9 11.388 2.678 7.951 1.00 0.00 C ATOM 796 CG LEU B 9 11.185 3.870 8.915 1.00 0.00 C ATOM 797 CD1 LEU B 9 12.038 5.105 8.592 1.00 0.00 C ATOM 798 CD2 LEU B 9 9.712 4.291 8.851 1.00 0.00 C ATOM 0 H LEU B 9 13.958 2.069 9.596 1.00 0.00 H new ATOM 0 HA LEU B 9 12.611 1.121 7.282 1.00 0.00 H new ATOM 0 HB2 LEU B 9 11.197 3.032 6.938 1.00 0.00 H new ATOM 0 HB3 LEU B 9 10.625 1.933 8.177 1.00 0.00 H new ATOM 0 HG LEU B 9 11.493 3.523 9.901 1.00 0.00 H new ATOM 0 HD11 LEU B 9 11.831 5.891 9.319 1.00 0.00 H new ATOM 0 HD12 LEU B 9 13.094 4.839 8.636 1.00 0.00 H new ATOM 0 HD13 LEU B 9 11.796 5.463 7.591 1.00 0.00 H new ATOM 0 HD21 LEU B 9 9.544 5.132 9.524 1.00 0.00 H new ATOM 0 HD22 LEU B 9 9.462 4.586 7.832 1.00 0.00 H new ATOM 0 HD23 LEU B 9 9.081 3.454 9.151 1.00 0.00 H new ATOM 810 N GLU B 10 13.766 3.350 6.238 1.00 0.00 N ATOM 811 CA GLU B 10 14.671 4.231 5.518 1.00 0.00 C ATOM 812 C GLU B 10 13.790 5.310 4.873 1.00 0.00 C ATOM 813 O GLU B 10 12.558 5.215 4.928 1.00 0.00 O ATOM 814 CB GLU B 10 15.505 3.436 4.497 1.00 0.00 C ATOM 815 CG GLU B 10 16.462 2.453 5.191 1.00 0.00 C ATOM 816 CD GLU B 10 17.068 1.464 4.202 1.00 0.00 C ATOM 817 OE1 GLU B 10 18.010 1.836 3.475 1.00 0.00 O ATOM 818 OE2 GLU B 10 16.596 0.305 4.137 1.00 0.00 O ATOM 0 H GLU B 10 12.943 3.127 5.678 1.00 0.00 H new ATOM 0 HA GLU B 10 15.403 4.700 6.176 1.00 0.00 H new ATOM 0 HB2 GLU B 10 14.839 2.887 3.831 1.00 0.00 H new ATOM 0 HB3 GLU B 10 16.078 4.126 3.878 1.00 0.00 H new ATOM 0 HG2 GLU B 10 17.259 3.009 5.685 1.00 0.00 H new ATOM 0 HG3 GLU B 10 15.925 1.908 5.967 1.00 0.00 H new ATOM 825 N ARG B 11 14.392 6.313 4.230 1.00 0.00 N ATOM 826 CA ARG B 11 13.652 7.414 3.599 1.00 0.00 C ATOM 827 C ARG B 11 14.172 7.800 2.212 1.00 0.00 C ATOM 828 O ARG B 11 13.757 8.827 1.676 1.00 0.00 O ATOM 829 CB ARG B 11 13.663 8.609 4.573 1.00 0.00 C ATOM 830 CG ARG B 11 15.085 9.124 4.850 1.00 0.00 C ATOM 831 CD ARG B 11 15.132 10.364 5.745 1.00 0.00 C ATOM 832 NE ARG B 11 15.025 10.076 7.187 1.00 0.00 N ATOM 833 CZ ARG B 11 15.387 10.919 8.164 1.00 0.00 C ATOM 834 NH1 ARG B 11 15.883 12.119 7.893 1.00 0.00 N ATOM 835 NH2 ARG B 11 15.246 10.568 9.434 1.00 0.00 N ATOM 0 H ARG B 11 15.404 6.387 4.131 1.00 0.00 H new ATOM 0 HA ARG B 11 12.631 7.081 3.413 1.00 0.00 H new ATOM 0 HB2 ARG B 11 13.061 9.418 4.159 1.00 0.00 H new ATOM 0 HB3 ARG B 11 13.197 8.313 5.513 1.00 0.00 H new ATOM 0 HG2 ARG B 11 15.664 8.328 5.318 1.00 0.00 H new ATOM 0 HG3 ARG B 11 15.569 9.355 3.901 1.00 0.00 H new ATOM 0 HD2 ARG B 11 16.066 10.895 5.561 1.00 0.00 H new ATOM 0 HD3 ARG B 11 14.322 11.035 5.459 1.00 0.00 H new ATOM 0 HE ARG B 11 14.648 9.169 7.461 1.00 0.00 H new ATOM 0 HH11 ARG B 11 15.996 12.417 6.924 1.00 0.00 H new ATOM 0 HH12 ARG B 11 16.152 12.743 8.653 1.00 0.00 H new ATOM 0 HH21 ARG B 11 14.861 9.654 9.671 1.00 0.00 H new ATOM 0 HH22 ARG B 11 15.523 11.212 10.175 1.00 0.00 H new ATOM 849 N GLU B 12 15.100 7.027 1.656 1.00 0.00 N ATOM 850 CA GLU B 12 15.692 7.280 0.346 1.00 0.00 C ATOM 851 C GLU B 12 14.679 6.994 -0.778 1.00 0.00 C ATOM 852 O GLU B 12 13.529 6.618 -0.510 1.00 0.00 O ATOM 853 CB GLU B 12 16.967 6.427 0.211 1.00 0.00 C ATOM 854 CG GLU B 12 17.988 6.646 1.344 1.00 0.00 C ATOM 855 CD GLU B 12 18.476 8.097 1.440 1.00 0.00 C ATOM 856 OE1 GLU B 12 17.784 8.951 2.042 1.00 0.00 O ATOM 857 OE2 GLU B 12 19.571 8.401 0.920 1.00 0.00 O ATOM 0 H GLU B 12 15.468 6.192 2.111 1.00 0.00 H new ATOM 0 HA GLU B 12 15.963 8.332 0.254 1.00 0.00 H new ATOM 0 HB2 GLU B 12 16.687 5.374 0.186 1.00 0.00 H new ATOM 0 HB3 GLU B 12 17.444 6.652 -0.743 1.00 0.00 H new ATOM 0 HG2 GLU B 12 17.537 6.357 2.293 1.00 0.00 H new ATOM 0 HG3 GLU B 12 18.844 5.990 1.186 1.00 0.00 H new ATOM 864 N GLY B 13 15.089 7.192 -2.037 1.00 0.00 N ATOM 865 CA GLY B 13 14.259 6.957 -3.219 1.00 0.00 C ATOM 866 C GLY B 13 13.862 5.485 -3.363 1.00 0.00 C ATOM 867 O GLY B 13 14.338 4.634 -2.608 1.00 0.00 O ATOM 0 H GLY B 13 16.025 7.527 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY B 13 13.360 7.570 -3.157 1.00 0.00 H new ATOM 0 HA3 GLY B 13 14.800 7.274 -4.110 1.00 0.00 H new ATOM 871 N LEU B 14 13.033 5.150 -4.356 1.00 0.00 N ATOM 872 CA LEU B 14 12.554 3.780 -4.588 1.00 0.00 C ATOM 873 C LEU B 14 12.671 3.333 -6.042 1.00 0.00 C ATOM 874 O LEU B 14 12.734 4.193 -6.925 1.00 0.00 O ATOM 875 CB LEU B 14 11.058 3.727 -4.231 1.00 0.00 C ATOM 876 CG LEU B 14 10.757 3.798 -2.732 1.00 0.00 C ATOM 877 CD1 LEU B 14 9.244 3.893 -2.567 1.00 0.00 C ATOM 878 CD2 LEU B 14 11.239 2.542 -2.000 1.00 0.00 C ATOM 0 H LEU B 14 12.671 5.826 -5.028 1.00 0.00 H new ATOM 0 HA LEU B 14 13.173 3.123 -3.976 1.00 0.00 H new ATOM 0 HB2 LEU B 14 10.550 4.552 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU B 14 10.635 2.805 -4.630 1.00 0.00 H new ATOM 0 HG LEU B 14 11.273 4.661 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU B 14 8.996 3.945 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU B 14 8.879 4.789 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU B 14 8.774 3.013 -3.006 1.00 0.00 H new ATOM 0 HD21 LEU B 14 11.008 2.629 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU B 14 10.736 1.666 -2.410 1.00 0.00 H new ATOM 0 HD23 LEU B 14 12.316 2.436 -2.130 1.00 0.00 H new ATOM 890 N PRO B 15 12.661 2.011 -6.304 1.00 0.00 N ATOM 891 CA PRO B 15 12.722 1.496 -7.661 1.00 0.00 C ATOM 892 C PRO B 15 11.379 1.741 -8.361 1.00 0.00 C ATOM 893 O PRO B 15 10.388 2.075 -7.700 1.00 0.00 O ATOM 894 CB PRO B 15 12.969 -0.012 -7.530 1.00 0.00 C ATOM 895 CG PRO B 15 12.448 -0.365 -6.147 1.00 0.00 C ATOM 896 CD PRO B 15 12.599 0.915 -5.343 1.00 0.00 C ATOM 0 HA PRO B 15 13.505 1.981 -8.244 1.00 0.00 H new ATOM 0 HB2 PRO B 15 12.444 -0.569 -8.306 1.00 0.00 H new ATOM 0 HB3 PRO B 15 14.028 -0.251 -7.628 1.00 0.00 H new ATOM 0 HG2 PRO B 15 11.408 -0.688 -6.186 1.00 0.00 H new ATOM 0 HG3 PRO B 15 13.019 -1.181 -5.704 1.00 0.00 H new ATOM 0 HD2 PRO B 15 11.758 1.045 -4.662 1.00 0.00 H new ATOM 0 HD3 PRO B 15 13.502 0.884 -4.733 1.00 0.00 H new ATOM 904 N PRO B 16 11.314 1.554 -9.688 1.00 0.00 N ATOM 905 CA PRO B 16 10.072 1.728 -10.418 1.00 0.00 C ATOM 906 C PRO B 16 9.099 0.667 -9.914 1.00 0.00 C ATOM 907 O PRO B 16 9.510 -0.412 -9.471 1.00 0.00 O ATOM 908 CB PRO B 16 10.427 1.554 -11.894 1.00 0.00 C ATOM 909 CG PRO B 16 11.720 0.743 -11.877 1.00 0.00 C ATOM 910 CD PRO B 16 12.394 1.157 -10.577 1.00 0.00 C ATOM 0 HA PRO B 16 9.601 2.701 -10.279 1.00 0.00 H new ATOM 0 HB2 PRO B 16 9.637 1.032 -12.434 1.00 0.00 H new ATOM 0 HB3 PRO B 16 10.567 2.517 -12.386 1.00 0.00 H new ATOM 0 HG2 PRO B 16 11.520 -0.328 -11.900 1.00 0.00 H new ATOM 0 HG3 PRO B 16 12.345 0.969 -12.741 1.00 0.00 H new ATOM 0 HD2 PRO B 16 12.968 0.333 -10.153 1.00 0.00 H new ATOM 0 HD3 PRO B 16 13.090 1.980 -10.741 1.00 0.00 H new ATOM 918 N GLY B 17 7.807 0.961 -9.964 1.00 0.00 N ATOM 919 CA GLY B 17 6.797 0.034 -9.499 1.00 0.00 C ATOM 920 C GLY B 17 6.659 0.028 -7.973 1.00 0.00 C ATOM 921 O GLY B 17 5.750 -0.633 -7.473 1.00 0.00 O ATOM 0 H GLY B 17 7.437 1.840 -10.325 1.00 0.00 H new ATOM 0 HA2 GLY B 17 5.837 0.294 -9.946 1.00 0.00 H new ATOM 0 HA3 GLY B 17 7.046 -0.970 -9.841 1.00 0.00 H new ATOM 925 N TRP B 18 7.520 0.692 -7.193 1.00 0.00 N ATOM 926 CA TRP B 18 7.382 0.724 -5.738 1.00 0.00 C ATOM 927 C TRP B 18 6.886 2.089 -5.292 1.00 0.00 C ATOM 928 O TRP B 18 7.139 3.103 -5.944 1.00 0.00 O ATOM 929 CB TRP B 18 8.701 0.367 -5.060 1.00 0.00 C ATOM 930 CG TRP B 18 8.841 -1.099 -4.840 1.00 0.00 C ATOM 931 CD1 TRP B 18 9.286 -1.988 -5.749 1.00 0.00 C ATOM 932 CD2 TRP B 18 8.551 -1.859 -3.633 1.00 0.00 C ATOM 933 NE1 TRP B 18 9.270 -3.252 -5.197 1.00 0.00 N ATOM 934 CE2 TRP B 18 8.836 -3.231 -3.890 1.00 0.00 C ATOM 935 CE3 TRP B 18 8.117 -1.519 -2.335 1.00 0.00 C ATOM 936 CZ2 TRP B 18 8.708 -4.216 -2.900 1.00 0.00 C ATOM 937 CZ3 TRP B 18 8.016 -2.489 -1.322 1.00 0.00 C ATOM 938 CH2 TRP B 18 8.331 -3.830 -1.602 1.00 0.00 C ATOM 0 H TRP B 18 8.320 1.215 -7.549 1.00 0.00 H new ATOM 0 HA TRP B 18 6.647 -0.023 -5.439 1.00 0.00 H new ATOM 0 HB2 TRP B 18 9.530 0.722 -5.672 1.00 0.00 H new ATOM 0 HB3 TRP B 18 8.767 0.884 -4.103 1.00 0.00 H new ATOM 0 HD1 TRP B 18 9.605 -1.749 -6.753 1.00 0.00 H new ATOM 0 HE1 TRP B 18 9.546 -4.098 -5.695 1.00 0.00 H new ATOM 0 HE3 TRP B 18 7.857 -0.494 -2.115 1.00 0.00 H new ATOM 0 HZ2 TRP B 18 8.896 -5.254 -3.131 1.00 0.00 H new ATOM 0 HZ3 TRP B 18 7.697 -2.204 -0.330 1.00 0.00 H new ATOM 0 HH2 TRP B 18 8.283 -4.568 -0.815 1.00 0.00 H new ATOM 949 N GLU B 19 6.212 2.117 -4.144 1.00 0.00 N ATOM 950 CA GLU B 19 5.679 3.351 -3.578 1.00 0.00 C ATOM 951 C GLU B 19 5.888 3.380 -2.065 1.00 0.00 C ATOM 952 O GLU B 19 6.070 2.333 -1.430 1.00 0.00 O ATOM 953 CB GLU B 19 4.185 3.449 -3.926 1.00 0.00 C ATOM 954 CG GLU B 19 3.573 4.856 -3.844 1.00 0.00 C ATOM 955 CD GLU B 19 4.084 5.775 -4.959 1.00 0.00 C ATOM 956 OE1 GLU B 19 5.245 6.232 -4.875 1.00 0.00 O ATOM 957 OE2 GLU B 19 3.364 6.010 -5.956 1.00 0.00 O ATOM 0 H GLU B 19 6.021 1.287 -3.583 1.00 0.00 H new ATOM 0 HA GLU B 19 6.206 4.207 -4.000 1.00 0.00 H new ATOM 0 HB2 GLU B 19 4.041 3.068 -4.937 1.00 0.00 H new ATOM 0 HB3 GLU B 19 3.631 2.792 -3.256 1.00 0.00 H new ATOM 0 HG2 GLU B 19 2.487 4.782 -3.905 1.00 0.00 H new ATOM 0 HG3 GLU B 19 3.808 5.297 -2.875 1.00 0.00 H new ATOM 964 N ARG B 20 5.877 4.589 -1.505 1.00 0.00 N ATOM 965 CA ARG B 20 6.028 4.900 -0.093 1.00 0.00 C ATOM 966 C ARG B 20 4.737 5.579 0.317 1.00 0.00 C ATOM 967 O ARG B 20 4.306 6.513 -0.358 1.00 0.00 O ATOM 968 CB ARG B 20 7.200 5.869 0.122 1.00 0.00 C ATOM 969 CG ARG B 20 7.392 6.213 1.607 1.00 0.00 C ATOM 970 CD ARG B 20 8.637 7.075 1.820 1.00 0.00 C ATOM 971 NE ARG B 20 8.520 8.405 1.197 1.00 0.00 N ATOM 972 CZ ARG B 20 9.410 9.395 1.322 1.00 0.00 C ATOM 973 NH1 ARG B 20 10.403 9.299 2.201 1.00 0.00 N ATOM 974 NH2 ARG B 20 9.312 10.492 0.584 1.00 0.00 N ATOM 0 H ARG B 20 5.754 5.431 -2.068 1.00 0.00 H new ATOM 0 HA ARG B 20 6.228 4.001 0.490 1.00 0.00 H new ATOM 0 HB2 ARG B 20 8.115 5.425 -0.269 1.00 0.00 H new ATOM 0 HB3 ARG B 20 7.023 6.784 -0.443 1.00 0.00 H new ATOM 0 HG2 ARG B 20 6.513 6.741 1.977 1.00 0.00 H new ATOM 0 HG3 ARG B 20 7.479 5.294 2.187 1.00 0.00 H new ATOM 0 HD2 ARG B 20 8.814 7.193 2.889 1.00 0.00 H new ATOM 0 HD3 ARG B 20 9.505 6.560 1.408 1.00 0.00 H new ATOM 0 HE ARG B 20 7.695 8.585 0.625 1.00 0.00 H new ATOM 0 HH11 ARG B 20 10.489 8.467 2.785 1.00 0.00 H new ATOM 0 HH12 ARG B 20 11.079 10.058 2.292 1.00 0.00 H new ATOM 0 HH21 ARG B 20 8.551 10.588 -0.089 1.00 0.00 H new ATOM 0 HH22 ARG B 20 9.997 11.240 0.689 1.00 0.00 H new ATOM 988 N VAL B 21 4.158 5.139 1.423 1.00 0.00 N ATOM 989 CA VAL B 21 2.927 5.688 1.950 1.00 0.00 C ATOM 990 C VAL B 21 3.178 6.085 3.411 1.00 0.00 C ATOM 991 O VAL B 21 3.917 5.395 4.123 1.00 0.00 O ATOM 992 CB VAL B 21 1.824 4.617 1.841 1.00 0.00 C ATOM 993 CG1 VAL B 21 0.484 5.200 2.308 1.00 0.00 C ATOM 994 CG2 VAL B 21 1.668 4.055 0.417 1.00 0.00 C ATOM 0 H VAL B 21 4.539 4.378 1.986 1.00 0.00 H new ATOM 0 HA VAL B 21 2.605 6.567 1.392 1.00 0.00 H new ATOM 0 HB VAL B 21 2.126 3.789 2.483 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -0.292 4.438 2.229 1.00 0.00 H new ATOM 0 HG12 VAL B 21 0.570 5.524 3.345 1.00 0.00 H new ATOM 0 HG13 VAL B 21 0.220 6.053 1.682 1.00 0.00 H new ATOM 0 HG21 VAL B 21 0.876 3.306 0.406 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.412 4.864 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL B 21 2.605 3.597 0.102 1.00 0.00 H new ATOM 1004 N GLU B 22 2.571 7.181 3.872 1.00 0.00 N ATOM 1005 CA GLU B 22 2.683 7.652 5.247 1.00 0.00 C ATOM 1006 C GLU B 22 1.281 7.986 5.756 1.00 0.00 C ATOM 1007 O GLU B 22 0.407 8.384 4.976 1.00 0.00 O ATOM 1008 CB GLU B 22 3.721 8.762 5.437 1.00 0.00 C ATOM 1009 CG GLU B 22 3.436 10.097 4.748 1.00 0.00 C ATOM 1010 CD GLU B 22 4.706 10.953 4.700 1.00 0.00 C ATOM 1011 OE1 GLU B 22 5.483 10.840 3.719 1.00 0.00 O ATOM 1012 OE2 GLU B 22 4.965 11.761 5.623 1.00 0.00 O ATOM 0 H GLU B 22 1.980 7.773 3.288 1.00 0.00 H new ATOM 0 HA GLU B 22 3.089 6.856 5.871 1.00 0.00 H new ATOM 0 HB2 GLU B 22 3.829 8.947 6.506 1.00 0.00 H new ATOM 0 HB3 GLU B 22 4.682 8.393 5.079 1.00 0.00 H new ATOM 0 HG2 GLU B 22 3.070 9.921 3.737 1.00 0.00 H new ATOM 0 HG3 GLU B 22 2.650 10.630 5.283 1.00 0.00 H new ATOM 1019 N SER B 23 1.073 7.778 7.057 1.00 0.00 N ATOM 1020 CA SER B 23 -0.177 7.977 7.789 1.00 0.00 C ATOM 1021 C SER B 23 0.112 8.146 9.274 1.00 0.00 C ATOM 1022 O SER B 23 1.115 7.614 9.738 1.00 0.00 O ATOM 1023 CB SER B 23 -0.989 6.674 7.703 1.00 0.00 C ATOM 1024 OG SER B 23 -1.110 6.205 6.376 1.00 0.00 O ATOM 0 H SER B 23 1.821 7.445 7.665 1.00 0.00 H new ATOM 0 HA SER B 23 -0.690 8.844 7.373 1.00 0.00 H new ATOM 0 HB2 SER B 23 -0.510 5.909 8.314 1.00 0.00 H new ATOM 0 HB3 SER B 23 -1.983 6.839 8.120 1.00 0.00 H new ATOM 0 HG SER B 23 -1.954 5.716 6.277 1.00 0.00 H new ATOM 1030 N SER B 24 -0.781 8.751 10.055 1.00 0.00 N ATOM 1031 CA SER B 24 -0.525 8.901 11.482 1.00 0.00 C ATOM 1032 C SER B 24 -0.758 7.583 12.238 1.00 0.00 C ATOM 1033 O SER B 24 0.057 7.188 13.075 1.00 0.00 O ATOM 1034 CB SER B 24 -1.414 10.003 12.049 1.00 0.00 C ATOM 1035 OG SER B 24 -1.350 11.172 11.246 1.00 0.00 O ATOM 0 H SER B 24 -1.668 9.137 9.732 1.00 0.00 H new ATOM 0 HA SER B 24 0.522 9.174 11.615 1.00 0.00 H new ATOM 0 HB2 SER B 24 -2.444 9.652 12.104 1.00 0.00 H new ATOM 0 HB3 SER B 24 -1.103 10.239 13.067 1.00 0.00 H new ATOM 0 HG SER B 24 -1.929 11.864 11.628 1.00 0.00 H new ATOM 1041 N GLU B 25 -1.845 6.865 11.926 1.00 0.00 N ATOM 1042 CA GLU B 25 -2.173 5.609 12.603 1.00 0.00 C ATOM 1043 C GLU B 25 -1.189 4.484 12.313 1.00 0.00 C ATOM 1044 O GLU B 25 -0.864 3.714 13.214 1.00 0.00 O ATOM 1045 CB GLU B 25 -3.607 5.164 12.309 1.00 0.00 C ATOM 1046 CG GLU B 25 -3.879 4.910 10.845 1.00 0.00 C ATOM 1047 CD GLU B 25 -5.384 4.905 10.567 1.00 0.00 C ATOM 1048 OE1 GLU B 25 -6.073 3.932 10.962 1.00 0.00 O ATOM 1049 OE2 GLU B 25 -5.865 5.926 10.022 1.00 0.00 O ATOM 0 H GLU B 25 -2.513 7.137 11.205 1.00 0.00 H new ATOM 0 HA GLU B 25 -2.089 5.826 13.668 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.818 4.254 12.871 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -4.296 5.928 12.670 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -3.395 5.678 10.242 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -3.447 3.954 10.550 1.00 0.00 H new ATOM 1056 N PHE B 26 -0.653 4.441 11.098 1.00 0.00 N ATOM 1057 CA PHE B 26 0.279 3.405 10.664 1.00 0.00 C ATOM 1058 C PHE B 26 1.748 3.824 10.729 1.00 0.00 C ATOM 1059 O PHE B 26 2.608 2.999 11.045 1.00 0.00 O ATOM 1060 CB PHE B 26 -0.114 2.988 9.239 1.00 0.00 C ATOM 1061 CG PHE B 26 -1.580 2.637 9.061 1.00 0.00 C ATOM 1062 CD1 PHE B 26 -2.224 1.781 9.978 1.00 0.00 C ATOM 1063 CD2 PHE B 26 -2.333 3.273 8.054 1.00 0.00 C ATOM 1064 CE1 PHE B 26 -3.616 1.599 9.906 1.00 0.00 C ATOM 1065 CE2 PHE B 26 -3.717 3.054 7.959 1.00 0.00 C ATOM 1066 CZ PHE B 26 -4.354 2.202 8.874 1.00 0.00 C ATOM 0 H PHE B 26 -0.856 5.133 10.377 1.00 0.00 H new ATOM 0 HA PHE B 26 0.201 2.567 11.356 1.00 0.00 H new ATOM 0 HB2 PHE B 26 0.137 3.799 8.556 1.00 0.00 H new ATOM 0 HB3 PHE B 26 0.489 2.128 8.948 1.00 0.00 H new ATOM 0 HD1 PHE B 26 -1.649 1.266 10.734 1.00 0.00 H new ATOM 0 HD2 PHE B 26 -1.844 3.932 7.352 1.00 0.00 H new ATOM 0 HE1 PHE B 26 -4.119 0.994 10.646 1.00 0.00 H new ATOM 0 HE2 PHE B 26 -4.290 3.540 7.183 1.00 0.00 H new ATOM 0 HZ PHE B 26 -5.413 2.010 8.785 1.00 0.00 H new ATOM 1076 N GLY B 27 2.055 5.090 10.469 1.00 0.00 N ATOM 1077 CA GLY B 27 3.393 5.644 10.470 1.00 0.00 C ATOM 1078 C GLY B 27 3.841 5.693 9.021 1.00 0.00 C ATOM 1079 O GLY B 27 3.442 6.585 8.269 1.00 0.00 O ATOM 0 H GLY B 27 1.343 5.784 10.242 1.00 0.00 H new ATOM 0 HA2 GLY B 27 3.400 6.640 10.912 1.00 0.00 H new ATOM 0 HA3 GLY B 27 4.068 5.027 11.064 1.00 0.00 H new ATOM 1083 N THR B 28 4.615 4.708 8.583 1.00 0.00 N ATOM 1084 CA THR B 28 5.108 4.660 7.209 1.00 0.00 C ATOM 1085 C THR B 28 5.239 3.218 6.728 1.00 0.00 C ATOM 1086 O THR B 28 5.812 2.377 7.433 1.00 0.00 O ATOM 1087 CB THR B 28 6.490 5.348 7.109 1.00 0.00 C ATOM 1088 OG1 THR B 28 6.633 6.484 7.948 1.00 0.00 O ATOM 1089 CG2 THR B 28 6.831 5.766 5.674 1.00 0.00 C ATOM 0 H THR B 28 4.918 3.925 9.163 1.00 0.00 H new ATOM 0 HA THR B 28 4.388 5.184 6.580 1.00 0.00 H new ATOM 0 HB THR B 28 7.186 4.582 7.451 1.00 0.00 H new ATOM 0 HG1 THR B 28 7.529 6.865 7.833 1.00 0.00 H new ATOM 0 HG21 THR B 28 7.810 6.244 5.657 1.00 0.00 H new ATOM 0 HG22 THR B 28 6.846 4.885 5.032 1.00 0.00 H new ATOM 0 HG23 THR B 28 6.079 6.467 5.311 1.00 0.00 H new ATOM 1097 N TYR B 29 4.725 2.925 5.534 1.00 0.00 N ATOM 1098 CA TYR B 29 4.829 1.596 4.938 1.00 0.00 C ATOM 1099 C TYR B 29 5.083 1.736 3.440 1.00 0.00 C ATOM 1100 O TYR B 29 4.792 2.763 2.832 1.00 0.00 O ATOM 1101 CB TYR B 29 3.619 0.706 5.262 1.00 0.00 C ATOM 1102 CG TYR B 29 2.293 1.155 4.682 1.00 0.00 C ATOM 1103 CD1 TYR B 29 1.570 2.176 5.320 1.00 0.00 C ATOM 1104 CD2 TYR B 29 1.777 0.551 3.521 1.00 0.00 C ATOM 1105 CE1 TYR B 29 0.349 2.628 4.792 1.00 0.00 C ATOM 1106 CE2 TYR B 29 0.540 0.975 3.003 1.00 0.00 C ATOM 1107 CZ TYR B 29 -0.175 2.016 3.634 1.00 0.00 C ATOM 1108 OH TYR B 29 -1.367 2.421 3.125 1.00 0.00 O ATOM 0 H TYR B 29 4.226 3.601 4.955 1.00 0.00 H new ATOM 0 HA TYR B 29 5.678 1.077 5.383 1.00 0.00 H new ATOM 0 HB2 TYR B 29 3.828 -0.302 4.904 1.00 0.00 H new ATOM 0 HB3 TYR B 29 3.517 0.644 6.346 1.00 0.00 H new ATOM 0 HD1 TYR B 29 1.957 2.618 6.226 1.00 0.00 H new ATOM 0 HD2 TYR B 29 2.329 -0.236 3.029 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -0.184 3.437 5.269 1.00 0.00 H new ATOM 0 HE2 TYR B 29 0.136 0.503 2.120 1.00 0.00 H new ATOM 0 HH TYR B 29 -1.577 1.894 2.326 1.00 0.00 H new ATOM 1118 N TYR B 30 5.639 0.694 2.834 1.00 0.00 N ATOM 1119 CA TYR B 30 5.960 0.641 1.421 1.00 0.00 C ATOM 1120 C TYR B 30 5.096 -0.432 0.792 1.00 0.00 C ATOM 1121 O TYR B 30 4.835 -1.472 1.413 1.00 0.00 O ATOM 1122 CB TYR B 30 7.448 0.335 1.241 1.00 0.00 C ATOM 1123 CG TYR B 30 8.337 1.449 1.744 1.00 0.00 C ATOM 1124 CD1 TYR B 30 8.680 1.538 3.106 1.00 0.00 C ATOM 1125 CD2 TYR B 30 8.786 2.425 0.843 1.00 0.00 C ATOM 1126 CE1 TYR B 30 9.458 2.609 3.572 1.00 0.00 C ATOM 1127 CE2 TYR B 30 9.586 3.485 1.295 1.00 0.00 C ATOM 1128 CZ TYR B 30 9.913 3.593 2.661 1.00 0.00 C ATOM 1129 OH TYR B 30 10.721 4.623 3.032 1.00 0.00 O ATOM 0 H TYR B 30 5.885 -0.162 3.332 1.00 0.00 H new ATOM 0 HA TYR B 30 5.762 1.597 0.937 1.00 0.00 H new ATOM 0 HB2 TYR B 30 7.692 -0.586 1.770 1.00 0.00 H new ATOM 0 HB3 TYR B 30 7.654 0.160 0.185 1.00 0.00 H new ATOM 0 HD1 TYR B 30 8.343 0.778 3.796 1.00 0.00 H new ATOM 0 HD2 TYR B 30 8.516 2.361 -0.201 1.00 0.00 H new ATOM 0 HE1 TYR B 30 9.708 2.682 4.620 1.00 0.00 H new ATOM 0 HE2 TYR B 30 9.952 4.220 0.594 1.00 0.00 H new ATOM 0 HH TYR B 30 11.264 4.352 3.802 1.00 0.00 H new ATOM 1139 N VAL B 31 4.685 -0.209 -0.453 1.00 0.00 N ATOM 1140 CA VAL B 31 3.840 -1.154 -1.170 1.00 0.00 C ATOM 1141 C VAL B 31 4.529 -1.615 -2.453 1.00 0.00 C ATOM 1142 O VAL B 31 5.121 -0.839 -3.206 1.00 0.00 O ATOM 1143 CB VAL B 31 2.441 -0.564 -1.399 1.00 0.00 C ATOM 1144 CG1 VAL B 31 1.550 -1.609 -2.077 1.00 0.00 C ATOM 1145 CG2 VAL B 31 1.725 -0.165 -0.108 1.00 0.00 C ATOM 0 H VAL B 31 4.927 0.625 -0.988 1.00 0.00 H new ATOM 0 HA VAL B 31 3.693 -2.047 -0.563 1.00 0.00 H new ATOM 0 HB VAL B 31 2.595 0.327 -2.008 1.00 0.00 H new ATOM 0 HG11 VAL B 31 0.557 -1.190 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL B 31 1.986 -1.892 -3.035 1.00 0.00 H new ATOM 0 HG13 VAL B 31 1.472 -2.490 -1.439 1.00 0.00 H new ATOM 0 HG21 VAL B 31 0.743 0.244 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL B 31 1.607 -1.042 0.529 1.00 0.00 H new ATOM 0 HG23 VAL B 31 2.313 0.588 0.416 1.00 0.00 H new ATOM 1155 N ASP B 32 4.401 -2.917 -2.680 1.00 0.00 N ATOM 1156 CA ASP B 32 4.926 -3.710 -3.774 1.00 0.00 C ATOM 1157 C ASP B 32 3.818 -4.014 -4.765 1.00 0.00 C ATOM 1158 O ASP B 32 2.972 -4.863 -4.492 1.00 0.00 O ATOM 1159 CB ASP B 32 5.415 -5.003 -3.086 1.00 0.00 C ATOM 1160 CG ASP B 32 5.886 -6.182 -3.924 1.00 0.00 C ATOM 1161 OD1 ASP B 32 5.684 -6.235 -5.149 1.00 0.00 O ATOM 1162 OD2 ASP B 32 6.357 -7.159 -3.283 1.00 0.00 O ATOM 0 H ASP B 32 3.871 -3.499 -2.032 1.00 0.00 H new ATOM 0 HA ASP B 32 5.717 -3.209 -4.332 1.00 0.00 H new ATOM 0 HB2 ASP B 32 6.237 -4.727 -2.425 1.00 0.00 H new ATOM 0 HB3 ASP B 32 4.603 -5.360 -2.453 1.00 0.00 H new ATOM 1167 N HIS B 33 3.788 -3.298 -5.889 1.00 0.00 N ATOM 1168 CA HIS B 33 2.803 -3.499 -6.951 1.00 0.00 C ATOM 1169 C HIS B 33 3.156 -4.761 -7.750 1.00 0.00 C ATOM 1170 O HIS B 33 2.298 -5.379 -8.388 1.00 0.00 O ATOM 1171 CB HIS B 33 2.821 -2.312 -7.936 1.00 0.00 C ATOM 1172 CG HIS B 33 1.760 -1.263 -7.741 1.00 0.00 C ATOM 1173 ND1 HIS B 33 0.432 -1.378 -8.165 1.00 0.00 N ATOM 1174 CD2 HIS B 33 1.937 -0.040 -7.161 1.00 0.00 C ATOM 1175 CE1 HIS B 33 -0.157 -0.213 -7.851 1.00 0.00 C ATOM 1176 NE2 HIS B 33 0.714 0.589 -7.213 1.00 0.00 N ATOM 0 H HIS B 33 4.455 -2.553 -6.090 1.00 0.00 H new ATOM 0 HA HIS B 33 1.821 -3.590 -6.487 1.00 0.00 H new ATOM 0 HB2 HIS B 33 3.796 -1.828 -7.870 1.00 0.00 H new ATOM 0 HB3 HIS B 33 2.729 -2.707 -8.948 1.00 0.00 H new ATOM 0 HD2 HIS B 33 2.852 0.354 -6.745 1.00 0.00 H new ATOM 0 HE1 HIS B 33 -1.181 0.043 -8.078 1.00 0.00 H new ATOM 0 HE2 HIS B 33 0.503 1.511 -6.831 1.00 0.00 H new ATOM 1184 N THR B 34 4.421 -5.174 -7.720 1.00 0.00 N ATOM 1185 CA THR B 34 4.936 -6.324 -8.441 1.00 0.00 C ATOM 1186 C THR B 34 4.381 -7.653 -7.926 1.00 0.00 C ATOM 1187 O THR B 34 4.360 -8.646 -8.656 1.00 0.00 O ATOM 1188 CB THR B 34 6.477 -6.258 -8.379 1.00 0.00 C ATOM 1189 OG1 THR B 34 6.936 -5.029 -8.910 1.00 0.00 O ATOM 1190 CG2 THR B 34 7.154 -7.382 -9.161 1.00 0.00 C ATOM 0 H THR B 34 5.137 -4.697 -7.172 1.00 0.00 H new ATOM 0 HA THR B 34 4.603 -6.284 -9.478 1.00 0.00 H new ATOM 0 HB THR B 34 6.739 -6.360 -7.326 1.00 0.00 H new ATOM 0 HG1 THR B 34 7.914 -4.998 -8.864 1.00 0.00 H new ATOM 0 HG21 THR B 34 8.236 -7.281 -9.079 1.00 0.00 H new ATOM 0 HG22 THR B 34 6.847 -8.345 -8.753 1.00 0.00 H new ATOM 0 HG23 THR B 34 6.862 -7.323 -10.210 1.00 0.00 H new ATOM 1198 N ASN B 35 3.829 -7.677 -6.719 1.00 0.00 N ATOM 1199 CA ASN B 35 3.297 -8.876 -6.075 1.00 0.00 C ATOM 1200 C ASN B 35 2.048 -8.566 -5.256 1.00 0.00 C ATOM 1201 O ASN B 35 1.327 -9.476 -4.856 1.00 0.00 O ATOM 1202 CB ASN B 35 4.354 -9.424 -5.104 1.00 0.00 C ATOM 1203 CG ASN B 35 5.697 -9.780 -5.734 1.00 0.00 C ATOM 1204 OD1 ASN B 35 5.946 -10.920 -6.120 1.00 0.00 O ATOM 1205 ND2 ASN B 35 6.607 -8.828 -5.816 1.00 0.00 N ATOM 0 H ASN B 35 3.736 -6.840 -6.143 1.00 0.00 H new ATOM 0 HA ASN B 35 3.046 -9.593 -6.857 1.00 0.00 H new ATOM 0 HB2 ASN B 35 4.523 -8.684 -4.322 1.00 0.00 H new ATOM 0 HB3 ASN B 35 3.952 -10.314 -4.619 1.00 0.00 H new ATOM 0 HD21 ASN B 35 7.528 -9.035 -6.203 1.00 0.00 H new ATOM 0 HD22 ASN B 35 6.390 -7.885 -5.493 1.00 0.00 H new ATOM 1212 N LYS B 36 1.768 -7.282 -5.027 1.00 0.00 N ATOM 1213 CA LYS B 36 0.646 -6.754 -4.250 1.00 0.00 C ATOM 1214 C LYS B 36 0.790 -7.162 -2.795 1.00 0.00 C ATOM 1215 O LYS B 36 -0.044 -7.886 -2.238 1.00 0.00 O ATOM 1216 CB LYS B 36 -0.693 -7.058 -4.904 1.00 0.00 C ATOM 1217 CG LYS B 36 -0.612 -6.498 -6.327 1.00 0.00 C ATOM 1218 CD LYS B 36 -1.917 -5.937 -6.806 1.00 0.00 C ATOM 1219 CE LYS B 36 -3.038 -6.978 -6.888 1.00 0.00 C ATOM 1220 NZ LYS B 36 -2.757 -8.064 -7.853 1.00 0.00 N ATOM 0 H LYS B 36 2.355 -6.537 -5.402 1.00 0.00 H new ATOM 0 HA LYS B 36 0.671 -5.664 -4.247 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -0.884 -8.131 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -1.510 -6.596 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS B 36 0.148 -5.718 -6.363 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -0.290 -7.288 -7.006 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -2.226 -5.135 -6.136 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -1.772 -5.492 -7.791 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -3.196 -7.411 -5.900 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -3.966 -6.481 -7.170 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -3.580 -8.697 -7.912 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -2.567 -7.655 -8.790 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -1.927 -8.604 -7.536 1.00 0.00 H new ATOM 1234 N ARG B 37 1.899 -6.717 -2.205 1.00 0.00 N ATOM 1235 CA ARG B 37 2.275 -6.960 -0.817 1.00 0.00 C ATOM 1236 C ARG B 37 2.610 -5.618 -0.177 1.00 0.00 C ATOM 1237 O ARG B 37 2.804 -4.625 -0.885 1.00 0.00 O ATOM 1238 CB ARG B 37 3.483 -7.915 -0.743 1.00 0.00 C ATOM 1239 CG ARG B 37 3.219 -9.298 -1.366 1.00 0.00 C ATOM 1240 CD ARG B 37 4.442 -10.223 -1.273 1.00 0.00 C ATOM 1241 NE ARG B 37 5.585 -9.690 -2.033 1.00 0.00 N ATOM 1242 CZ ARG B 37 6.838 -10.150 -2.057 1.00 0.00 C ATOM 1243 NH1 ARG B 37 7.205 -11.197 -1.321 1.00 0.00 N ATOM 1244 NH2 ARG B 37 7.714 -9.515 -2.816 1.00 0.00 N ATOM 0 H ARG B 37 2.587 -6.154 -2.704 1.00 0.00 H new ATOM 0 HA ARG B 37 1.451 -7.433 -0.282 1.00 0.00 H new ATOM 0 HB2 ARG B 37 4.331 -7.454 -1.250 1.00 0.00 H new ATOM 0 HB3 ARG B 37 3.768 -8.045 0.301 1.00 0.00 H new ATOM 0 HG2 ARG B 37 2.373 -9.766 -0.862 1.00 0.00 H new ATOM 0 HG3 ARG B 37 2.938 -9.175 -2.412 1.00 0.00 H new ATOM 0 HD2 ARG B 37 4.726 -10.348 -0.228 1.00 0.00 H new ATOM 0 HD3 ARG B 37 4.181 -11.211 -1.652 1.00 0.00 H new ATOM 0 HE ARG B 37 5.397 -8.871 -2.611 1.00 0.00 H new ATOM 0 HH11 ARG B 37 6.523 -11.664 -0.723 1.00 0.00 H new ATOM 0 HH12 ARG B 37 8.168 -11.532 -1.355 1.00 0.00 H new ATOM 0 HH21 ARG B 37 7.424 -8.702 -3.359 1.00 0.00 H new ATOM 0 HH22 ARG B 37 8.680 -9.838 -2.859 1.00 0.00 H new ATOM 1258 N ALA B 38 2.675 -5.550 1.148 1.00 0.00 N ATOM 1259 CA ALA B 38 3.011 -4.339 1.887 1.00 0.00 C ATOM 1260 C ALA B 38 4.138 -4.704 2.851 1.00 0.00 C ATOM 1261 O ALA B 38 4.207 -5.848 3.315 1.00 0.00 O ATOM 1262 CB ALA B 38 1.777 -3.769 2.608 1.00 0.00 C ATOM 0 H ALA B 38 2.492 -6.352 1.751 1.00 0.00 H new ATOM 0 HA ALA B 38 3.344 -3.548 1.216 1.00 0.00 H new ATOM 0 HB1 ALA B 38 2.057 -2.866 3.151 1.00 0.00 H new ATOM 0 HB2 ALA B 38 1.007 -3.527 1.875 1.00 0.00 H new ATOM 0 HB3 ALA B 38 1.391 -4.509 3.309 1.00 0.00 H new ATOM 1268 N GLN B 39 5.057 -3.779 3.124 1.00 0.00 N ATOM 1269 CA GLN B 39 6.166 -3.993 4.044 1.00 0.00 C ATOM 1270 C GLN B 39 6.557 -2.663 4.681 1.00 0.00 C ATOM 1271 O GLN B 39 6.710 -1.651 4.004 1.00 0.00 O ATOM 1272 CB GLN B 39 7.369 -4.683 3.368 1.00 0.00 C ATOM 1273 CG GLN B 39 7.822 -4.088 2.028 1.00 0.00 C ATOM 1274 CD GLN B 39 9.216 -4.593 1.653 1.00 0.00 C ATOM 1275 OE1 GLN B 39 9.418 -5.741 1.257 1.00 0.00 O ATOM 1276 NE2 GLN B 39 10.221 -3.752 1.786 1.00 0.00 N ATOM 0 H GLN B 39 5.050 -2.849 2.705 1.00 0.00 H new ATOM 0 HA GLN B 39 5.837 -4.678 4.826 1.00 0.00 H new ATOM 0 HB2 GLN B 39 8.212 -4.656 4.058 1.00 0.00 H new ATOM 0 HB3 GLN B 39 7.119 -5.732 3.211 1.00 0.00 H new ATOM 0 HG2 GLN B 39 7.111 -4.356 1.247 1.00 0.00 H new ATOM 0 HG3 GLN B 39 7.830 -3.000 2.092 1.00 0.00 H new ATOM 0 HE21 GLN B 39 10.051 -2.801 2.114 1.00 0.00 H new ATOM 0 HE22 GLN B 39 11.170 -4.051 1.561 1.00 0.00 H new ATOM 1285 N TYR B 40 6.806 -2.678 5.984 1.00 0.00 N ATOM 1286 CA TYR B 40 7.189 -1.524 6.793 1.00 0.00 C ATOM 1287 C TYR B 40 8.687 -1.180 6.659 1.00 0.00 C ATOM 1288 O TYR B 40 9.273 -0.590 7.561 1.00 0.00 O ATOM 1289 CB TYR B 40 6.841 -1.856 8.249 1.00 0.00 C ATOM 1290 CG TYR B 40 5.458 -2.450 8.478 1.00 0.00 C ATOM 1291 CD1 TYR B 40 4.338 -1.604 8.463 1.00 0.00 C ATOM 1292 CD2 TYR B 40 5.284 -3.827 8.739 1.00 0.00 C ATOM 1293 CE1 TYR B 40 3.062 -2.109 8.765 1.00 0.00 C ATOM 1294 CE2 TYR B 40 4.006 -4.334 9.049 1.00 0.00 C ATOM 1295 CZ TYR B 40 2.893 -3.465 9.107 1.00 0.00 C ATOM 1296 OH TYR B 40 1.668 -3.928 9.482 1.00 0.00 O ATOM 0 H TYR B 40 6.744 -3.535 6.533 1.00 0.00 H new ATOM 0 HA TYR B 40 6.648 -0.644 6.446 1.00 0.00 H new ATOM 0 HB2 TYR B 40 7.585 -2.556 8.631 1.00 0.00 H new ATOM 0 HB3 TYR B 40 6.928 -0.945 8.841 1.00 0.00 H new ATOM 0 HD1 TYR B 40 4.458 -0.559 8.218 1.00 0.00 H new ATOM 0 HD2 TYR B 40 6.133 -4.494 8.701 1.00 0.00 H new ATOM 0 HE1 TYR B 40 2.205 -1.453 8.735 1.00 0.00 H new ATOM 0 HE2 TYR B 40 3.877 -5.389 9.243 1.00 0.00 H new ATOM 0 HH TYR B 40 1.728 -4.885 9.683 1.00 0.00 H new ATOM 1306 N ARG B 41 9.353 -1.630 5.592 1.00 0.00 N ATOM 1307 CA ARG B 41 10.776 -1.413 5.333 1.00 0.00 C ATOM 1308 C ARG B 41 11.007 -1.131 3.851 1.00 0.00 C ATOM 1309 O ARG B 41 10.089 -1.310 3.048 1.00 0.00 O ATOM 1310 CB ARG B 41 11.597 -2.617 5.852 1.00 0.00 C ATOM 1311 CG ARG B 41 11.068 -4.021 5.499 1.00 0.00 C ATOM 1312 CD ARG B 41 10.243 -4.649 6.637 1.00 0.00 C ATOM 1313 NE ARG B 41 9.646 -5.929 6.219 1.00 0.00 N ATOM 1314 CZ ARG B 41 8.950 -6.784 6.979 1.00 0.00 C ATOM 1315 NH1 ARG B 41 8.725 -6.550 8.268 1.00 0.00 N ATOM 1316 NH2 ARG B 41 8.448 -7.878 6.425 1.00 0.00 N ATOM 0 H ARG B 41 8.898 -2.175 4.859 1.00 0.00 H new ATOM 0 HA ARG B 41 11.121 -0.533 5.877 1.00 0.00 H new ATOM 0 HB2 ARG B 41 12.612 -2.529 5.464 1.00 0.00 H new ATOM 0 HB3 ARG B 41 11.662 -2.541 6.937 1.00 0.00 H new ATOM 0 HG2 ARG B 41 10.452 -3.958 4.602 1.00 0.00 H new ATOM 0 HG3 ARG B 41 11.909 -4.673 5.263 1.00 0.00 H new ATOM 0 HD2 ARG B 41 10.881 -4.809 7.506 1.00 0.00 H new ATOM 0 HD3 ARG B 41 9.455 -3.960 6.942 1.00 0.00 H new ATOM 0 HE ARG B 41 9.777 -6.193 5.243 1.00 0.00 H new ATOM 0 HH11 ARG B 41 9.086 -5.701 8.703 1.00 0.00 H new ATOM 0 HH12 ARG B 41 8.191 -7.220 8.822 1.00 0.00 H new ATOM 0 HH21 ARG B 41 8.594 -8.060 5.432 1.00 0.00 H new ATOM 0 HH22 ARG B 41 7.916 -8.538 6.992 1.00 0.00 H new ATOM 1330 N HIS B 42 12.215 -0.708 3.484 1.00 0.00 N ATOM 1331 CA HIS B 42 12.598 -0.386 2.108 1.00 0.00 C ATOM 1332 C HIS B 42 12.657 -1.664 1.253 1.00 0.00 C ATOM 1333 O HIS B 42 12.969 -2.738 1.783 1.00 0.00 O ATOM 1334 CB HIS B 42 13.978 0.306 2.122 1.00 0.00 C ATOM 1335 CG HIS B 42 14.170 1.459 1.162 1.00 0.00 C ATOM 1336 ND1 HIS B 42 15.310 1.655 0.383 1.00 0.00 N ATOM 1337 CD2 HIS B 42 13.324 2.522 0.988 1.00 0.00 C ATOM 1338 CE1 HIS B 42 15.124 2.832 -0.241 1.00 0.00 C ATOM 1339 NE2 HIS B 42 13.945 3.376 0.101 1.00 0.00 N ATOM 0 H HIS B 42 12.975 -0.576 4.151 1.00 0.00 H new ATOM 0 HA HIS B 42 11.855 0.282 1.672 1.00 0.00 H new ATOM 0 HB2 HIS B 42 14.166 0.670 3.132 1.00 0.00 H new ATOM 0 HB3 HIS B 42 14.738 -0.446 1.907 1.00 0.00 H new ATOM 0 HD2 HIS B 42 12.360 2.664 1.454 1.00 0.00 H new ATOM 0 HE1 HIS B 42 15.829 3.280 -0.926 1.00 0.00 H new ATOM 0 HE2 HIS B 42 13.574 4.264 -0.236 1.00 0.00 H new ATOM 1347 N PRO B 43 12.379 -1.595 -0.060 1.00 0.00 N ATOM 1348 CA PRO B 43 12.432 -2.762 -0.929 1.00 0.00 C ATOM 1349 C PRO B 43 13.862 -3.265 -1.129 1.00 0.00 C ATOM 1350 O PRO B 43 14.834 -2.523 -0.977 1.00 0.00 O ATOM 1351 CB PRO B 43 11.823 -2.317 -2.255 1.00 0.00 C ATOM 1352 CG PRO B 43 11.911 -0.802 -2.268 1.00 0.00 C ATOM 1353 CD PRO B 43 11.985 -0.406 -0.797 1.00 0.00 C ATOM 0 HA PRO B 43 11.886 -3.597 -0.489 1.00 0.00 H new ATOM 0 HB2 PRO B 43 12.365 -2.747 -3.097 1.00 0.00 H new ATOM 0 HB3 PRO B 43 10.788 -2.649 -2.340 1.00 0.00 H new ATOM 0 HG2 PRO B 43 12.790 -0.461 -2.815 1.00 0.00 H new ATOM 0 HG3 PRO B 43 11.042 -0.359 -2.754 1.00 0.00 H new ATOM 0 HD2 PRO B 43 12.707 0.397 -0.649 1.00 0.00 H new ATOM 0 HD3 PRO B 43 11.021 -0.037 -0.447 1.00 0.00 H new ATOM 1361 N SER B 44 13.987 -4.540 -1.500 1.00 0.00 N ATOM 1362 CA SER B 44 15.280 -5.158 -1.748 1.00 0.00 C ATOM 1363 C SER B 44 15.790 -4.714 -3.122 1.00 0.00 C ATOM 1364 O SER B 44 16.926 -4.252 -3.220 1.00 0.00 O ATOM 1365 CB SER B 44 15.152 -6.675 -1.613 1.00 0.00 C ATOM 1366 OG SER B 44 16.408 -7.297 -1.478 1.00 0.00 O ATOM 0 H SER B 44 13.194 -5.167 -1.635 1.00 0.00 H new ATOM 0 HA SER B 44 16.018 -4.838 -1.012 1.00 0.00 H new ATOM 0 HB2 SER B 44 14.534 -6.912 -0.747 1.00 0.00 H new ATOM 0 HB3 SER B 44 14.640 -7.076 -2.488 1.00 0.00 H new ATOM 0 HG SER B 44 16.286 -8.266 -1.393 1.00 0.00 H new ATOM 1372 N GLY B 45 14.945 -4.797 -4.153 1.00 0.00 N ATOM 1373 CA GLY B 45 15.283 -4.396 -5.509 1.00 0.00 C ATOM 1374 C GLY B 45 14.566 -5.240 -6.565 1.00 0.00 C ATOM 1375 O GLY B 45 14.055 -6.325 -6.254 1.00 0.00 O ATOM 0 H GLY B 45 13.993 -5.151 -4.061 1.00 0.00 H new ATOM 0 HA2 GLY B 45 15.024 -3.347 -5.650 1.00 0.00 H new ATOM 0 HA3 GLY B 45 16.360 -4.480 -5.651 1.00 0.00 H new ATOM 1379 N PRO B 46 14.505 -4.743 -7.811 1.00 0.00 N ATOM 1380 CA PRO B 46 13.873 -5.422 -8.933 1.00 0.00 C ATOM 1381 C PRO B 46 14.817 -6.485 -9.515 1.00 0.00 C ATOM 1382 O PRO B 46 15.885 -6.764 -8.961 1.00 0.00 O ATOM 1383 CB PRO B 46 13.593 -4.301 -9.942 1.00 0.00 C ATOM 1384 CG PRO B 46 14.776 -3.362 -9.739 1.00 0.00 C ATOM 1385 CD PRO B 46 15.065 -3.471 -8.247 1.00 0.00 C ATOM 0 HA PRO B 46 12.963 -5.953 -8.654 1.00 0.00 H new ATOM 0 HB2 PRO B 46 13.547 -4.678 -10.964 1.00 0.00 H new ATOM 0 HB3 PRO B 46 12.643 -3.805 -9.742 1.00 0.00 H new ATOM 0 HG2 PRO B 46 15.635 -3.664 -10.337 1.00 0.00 H new ATOM 0 HG3 PRO B 46 14.531 -2.340 -10.027 1.00 0.00 H new ATOM 0 HD2 PRO B 46 16.137 -3.433 -8.055 1.00 0.00 H new ATOM 0 HD3 PRO B 46 14.614 -2.641 -7.703 1.00 0.00 H new ATOM 1393 N SER B 47 14.390 -7.102 -10.617 1.00 0.00 N ATOM 1394 CA SER B 47 15.142 -8.111 -11.344 1.00 0.00 C ATOM 1395 C SER B 47 15.524 -7.432 -12.667 1.00 0.00 C ATOM 1396 O SER B 47 16.319 -6.491 -12.636 1.00 0.00 O ATOM 1397 CB SER B 47 14.322 -9.406 -11.423 1.00 0.00 C ATOM 1398 OG SER B 47 15.099 -10.482 -11.905 1.00 0.00 O ATOM 0 H SER B 47 13.482 -6.903 -11.037 1.00 0.00 H new ATOM 0 HA SER B 47 16.064 -8.447 -10.870 1.00 0.00 H new ATOM 0 HB2 SER B 47 13.932 -9.652 -10.435 1.00 0.00 H new ATOM 0 HB3 SER B 47 13.463 -9.255 -12.077 1.00 0.00 H new ATOM 0 HG SER B 47 14.549 -11.292 -11.942 1.00 0.00 H new ATOM 1404 N SER B 48 14.954 -7.818 -13.811 1.00 0.00 N ATOM 1405 CA SER B 48 15.249 -7.218 -15.113 1.00 0.00 C ATOM 1406 C SER B 48 13.968 -7.181 -15.950 1.00 0.00 C ATOM 1407 O SER B 48 13.040 -7.969 -15.713 1.00 0.00 O ATOM 1408 CB SER B 48 16.345 -8.031 -15.823 1.00 0.00 C ATOM 1409 OG SER B 48 17.501 -8.174 -15.015 1.00 0.00 O ATOM 0 H SER B 48 14.264 -8.568 -13.859 1.00 0.00 H new ATOM 0 HA SER B 48 15.612 -6.199 -14.981 1.00 0.00 H new ATOM 0 HB2 SER B 48 15.957 -9.017 -16.080 1.00 0.00 H new ATOM 0 HB3 SER B 48 16.614 -7.540 -16.758 1.00 0.00 H new ATOM 0 HG SER B 48 18.175 -8.697 -15.498 1.00 0.00 H new ATOM 1415 N GLY B 49 13.900 -6.316 -16.963 1.00 0.00 N ATOM 1416 CA GLY B 49 12.739 -6.193 -17.834 1.00 0.00 C ATOM 1417 C GLY B 49 12.701 -4.812 -18.427 1.00 0.00 C ATOM 1418 O GLY B 49 12.598 -3.845 -17.640 1.00 0.00 O ATOM 0 H GLY B 49 14.658 -5.677 -17.201 1.00 0.00 H new ATOM 0 HA2 GLY B 49 12.785 -6.940 -18.627 1.00 0.00 H new ATOM 0 HA3 GLY B 49 11.826 -6.383 -17.270 1.00 0.00 H new TER 1422 GLY B 49