USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1112 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 80 ASN : amide:sc= -0.685 K(o=0.63,f=-1.6) USER MOD Set 1.2: A 88 CYS SG : rot -36:sc= 1.31 USER MOD Set 2.1: A 76 MET CE :methyl 139:sc= -0.19 (180deg=-0.584) USER MOD Set 2.2: A 78 HIS : no HD1:sc= -0.0115 X(o=-0.2,f=-0.42) USER MOD Set 3.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 54 LYS NZ :NH3+ 156:sc= -0.53 (180deg=-0.956) USER MOD Set 4.1: A 29 SER OG : rot 1:sc= -0.566 USER MOD Set 4.2: A 31 ASN : amide:sc= -0.315 X(o=-0.85,f=-0.58) USER MOD Set 4.3: A 37 ASN : amide:sc= 0.0294 X(o=-0.85,f=-1.1) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.949 USER MOD Single : A 10 MET CE :methyl -114:sc= -0.0273 (180deg=-2.47!) USER MOD Single : A 14 LYS NZ :NH3+ 156:sc= -0.171 (180deg=-0.687) USER MOD Single : A 17 GLN : amide:sc= -0.267 K(o=-0.27,f=-2.7!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.13) USER MOD Single : A 34 MET CE :methyl 146:sc= -0.215 (180deg=-0.786) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 46 THR OG1 : rot -65:sc= 0.0575 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.255 K(o=-0.25,f=-1.3) USER MOD Single : A 66 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0898) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 57:sc= -0.192 USER MOD Single : A 93 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.078) USER MOD Single : A 94 ASN : amide:sc= -0.0212 X(o=-0.021,f=-0.15) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -12:sc= 0.701 USER MOD Single : A 108 SER OG : rot 62:sc= 1.19 USER MOD Single : A 110 GLN : amide:sc= -4.18! K(o=-4.2!,f=-0.71) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.651 K(o=-0.65,f=-12!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 128 GLN : amide:sc= -0.98 K(o=-0.98,f=0) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 ASN : amide:sc= -3.98! K(o=-4!,f=-0.14) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 167:sc= -0.0175 (180deg=-0.212) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 GLN : amide:sc= -3.22! K(o=-3.2!,f=-0.14) USER MOD Single : A 148 SER OG : rot 90:sc= 0.386 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -25.491 3.063 6.634 0.10 0.00 N ATOM 32 CA THR A 3 -24.840 4.214 6.022 0.40 0.00 C ATOM 33 C THR A 3 -24.546 3.929 4.546 1.00 0.00 C ATOM 34 O THR A 3 -24.591 2.775 4.117 0.84 0.00 O ATOM 35 CB THR A 3 -23.536 4.571 6.778 0.43 0.00 C ATOM 36 OG1 THR A 3 -23.409 5.992 6.901 0.17 0.00 O ATOM 37 CG2 THR A 3 -22.309 4.013 6.076 0.46 0.00 C ATOM 0 HA THR A 3 -25.513 5.069 6.086 0.40 0.00 H new ATOM 0 HB THR A 3 -23.598 4.119 7.768 0.43 0.00 H new ATOM 0 HG1 THR A 3 -22.582 6.206 7.382 0.17 0.00 H new ATOM 0 HG21 THR A 3 -21.414 4.284 6.636 0.46 0.00 H new ATOM 0 HG22 THR A 3 -22.385 2.927 6.018 0.46 0.00 H new ATOM 0 HG23 THR A 3 -22.246 4.427 5.070 0.46 0.00 H new ATOM 45 N PRO A 4 -24.240 4.969 3.750 0.06 0.00 N ATOM 46 CA PRO A 4 -23.953 4.811 2.331 0.21 0.00 C ATOM 47 C PRO A 4 -22.520 4.360 2.087 0.88 0.00 C ATOM 48 O PRO A 4 -22.237 3.649 1.121 0.05 0.00 O ATOM 49 CB PRO A 4 -24.186 6.208 1.746 0.41 0.00 C ATOM 50 CG PRO A 4 -24.318 7.150 2.907 0.19 0.00 C ATOM 51 CD PRO A 4 -24.125 6.365 4.174 0.23 0.00 C ATOM 0 HA PRO A 4 -24.580 4.045 1.874 0.21 0.00 H new ATOM 0 HB2 PRO A 4 -23.356 6.501 1.103 0.41 0.00 H new ATOM 0 HB3 PRO A 4 -25.086 6.224 1.131 0.41 0.00 H new ATOM 0 HG2 PRO A 4 -23.577 7.946 2.837 0.19 0.00 H new ATOM 0 HG3 PRO A 4 -25.299 7.626 2.901 0.19 0.00 H new ATOM 0 HD2 PRO A 4 -23.153 6.566 4.623 0.23 0.00 H new ATOM 0 HD3 PRO A 4 -24.879 6.619 4.919 0.23 0.00 H new ATOM 59 N ALA A 5 -21.617 4.779 2.967 1.00 0.00 N ATOM 60 CA ALA A 5 -20.215 4.415 2.851 0.53 0.00 C ATOM 61 C ALA A 5 -20.037 2.905 2.974 0.22 0.00 C ATOM 62 O ALA A 5 -19.160 2.316 2.339 0.05 0.00 O ATOM 63 CB ALA A 5 -19.389 5.134 3.907 1.00 0.00 C ATOM 0 H ALA A 5 -21.834 5.372 3.768 1.00 0.00 H new ATOM 0 HA ALA A 5 -19.863 4.722 1.866 0.53 0.00 H new ATOM 0 HB1 ALA A 5 -18.342 4.850 3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -19.487 6.211 3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -19.746 4.857 4.899 1.00 0.00 H new ATOM 69 N ARG A 6 -20.881 2.287 3.796 1.00 0.00 N ATOM 70 CA ARG A 6 -20.830 0.845 4.015 0.05 0.00 C ATOM 71 C ARG A 6 -21.160 0.088 2.733 0.13 0.00 C ATOM 72 O ARG A 6 -20.403 -0.781 2.301 0.28 0.00 O ATOM 73 CB ARG A 6 -21.807 0.443 5.125 1.00 0.00 C ATOM 74 CG ARG A 6 -21.735 -1.029 5.497 0.16 0.00 C ATOM 75 CD ARG A 6 -22.711 -1.375 6.609 0.47 0.00 C ATOM 76 NE ARG A 6 -24.102 -1.191 6.199 0.09 0.00 N ATOM 77 CZ ARG A 6 -25.143 -1.594 6.923 0.22 0.00 C ATOM 78 NH1 ARG A 6 -24.953 -2.191 8.093 0.77 0.00 N ATOM 79 NH2 ARG A 6 -26.378 -1.398 6.479 0.51 0.00 N ATOM 0 H ARG A 6 -21.611 2.765 4.323 1.00 0.00 H new ATOM 0 HA ARG A 6 -19.816 0.584 4.319 0.05 0.00 H new ATOM 0 HB2 ARG A 6 -21.603 1.043 6.012 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -22.822 0.679 4.807 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -21.953 -1.637 4.619 0.16 0.00 H new ATOM 0 HG3 ARG A 6 -20.721 -1.276 5.812 0.16 0.00 H new ATOM 0 HD2 ARG A 6 -22.558 -2.410 6.916 0.47 0.00 H new ATOM 0 HD3 ARG A 6 -22.505 -0.751 7.479 0.47 0.00 H new ATOM 0 HE ARG A 6 -24.285 -0.728 5.309 0.09 0.00 H new ATOM 0 HH11 ARG A 6 -24.006 -2.342 8.440 0.77 0.00 H new ATOM 0 HH12 ARG A 6 -25.754 -2.498 8.645 0.77 0.00 H new ATOM 0 HH21 ARG A 6 -26.530 -0.938 5.582 0.51 0.00 H new ATOM 0 HH22 ARG A 6 -27.175 -1.708 7.035 0.51 0.00 H new ATOM 93 N ARG A 7 -22.295 0.425 2.130 0.12 0.00 N ATOM 94 CA ARG A 7 -22.730 -0.220 0.899 0.07 0.00 C ATOM 95 C ARG A 7 -21.721 0.001 -0.225 0.16 0.00 C ATOM 96 O ARG A 7 -21.567 -0.846 -1.106 0.29 0.00 O ATOM 97 CB ARG A 7 -24.101 0.313 0.484 0.56 0.00 C ATOM 98 CG ARG A 7 -25.209 -0.035 1.464 0.16 0.00 C ATOM 99 CD ARG A 7 -26.533 0.588 1.055 0.07 0.00 C ATOM 100 NE ARG A 7 -26.964 0.137 -0.265 0.49 0.00 N ATOM 101 CZ ARG A 7 -27.956 0.699 -0.951 0.17 0.00 C ATOM 102 NH1 ARG A 7 -28.613 1.734 -0.445 1.00 0.00 N ATOM 103 NH2 ARG A 7 -28.289 0.228 -2.145 0.11 0.00 N ATOM 0 H ARG A 7 -22.931 1.143 2.476 0.12 0.00 H new ATOM 0 HA ARG A 7 -22.802 -1.292 1.085 0.07 0.00 H new ATOM 0 HB2 ARG A 7 -24.045 1.397 0.381 0.56 0.00 H new ATOM 0 HB3 ARG A 7 -24.356 -0.087 -0.497 0.56 0.00 H new ATOM 0 HG2 ARG A 7 -25.318 -1.118 1.521 0.16 0.00 H new ATOM 0 HG3 ARG A 7 -24.936 0.311 2.461 0.16 0.00 H new ATOM 0 HD2 ARG A 7 -27.296 0.335 1.792 0.07 0.00 H new ATOM 0 HD3 ARG A 7 -26.438 1.674 1.054 0.07 0.00 H new ATOM 0 HE ARG A 7 -26.477 -0.654 -0.685 0.49 0.00 H new ATOM 0 HH11 ARG A 7 -28.358 2.101 0.472 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -29.373 2.163 -0.973 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -27.784 -0.566 -2.539 0.11 0.00 H new ATOM 0 HH22 ARG A 7 -29.050 0.660 -2.670 0.11 0.00 H new ATOM 117 N ARG A 8 -21.039 1.141 -0.190 0.40 0.00 N ATOM 118 CA ARG A 8 -20.047 1.469 -1.207 0.07 0.00 C ATOM 119 C ARG A 8 -18.899 0.463 -1.200 0.49 0.00 C ATOM 120 O ARG A 8 -18.499 -0.039 -2.252 0.55 0.00 O ATOM 121 CB ARG A 8 -19.503 2.884 -0.991 0.54 0.00 C ATOM 122 CG ARG A 8 -18.486 3.312 -2.038 0.05 0.00 C ATOM 123 CD ARG A 8 -19.101 3.362 -3.428 0.09 0.00 C ATOM 124 NE ARG A 8 -18.124 3.732 -4.448 0.64 0.00 N ATOM 125 CZ ARG A 8 -18.409 3.822 -5.744 0.16 0.00 C ATOM 126 NH1 ARG A 8 -19.638 3.570 -6.177 0.73 0.00 N ATOM 127 NH2 ARG A 8 -17.465 4.162 -6.610 0.29 0.00 N ATOM 0 H ARG A 8 -21.155 1.853 0.531 0.40 0.00 H new ATOM 0 HA ARG A 8 -20.539 1.423 -2.179 0.07 0.00 H new ATOM 0 HB2 ARG A 8 -20.335 3.589 -0.995 0.54 0.00 H new ATOM 0 HB3 ARG A 8 -19.042 2.941 -0.005 0.54 0.00 H new ATOM 0 HG2 ARG A 8 -18.088 4.293 -1.780 0.05 0.00 H new ATOM 0 HG3 ARG A 8 -17.646 2.617 -2.036 0.05 0.00 H new ATOM 0 HD2 ARG A 8 -19.527 2.388 -3.671 0.09 0.00 H new ATOM 0 HD3 ARG A 8 -19.921 4.080 -3.435 0.09 0.00 H new ATOM 0 HE ARG A 8 -17.169 3.933 -4.150 0.64 0.00 H new ATOM 0 HH11 ARG A 8 -20.368 3.306 -5.515 0.73 0.00 H new ATOM 0 HH12 ARG A 8 -19.853 3.640 -7.172 0.73 0.00 H new ATOM 0 HH21 ARG A 8 -16.518 4.355 -6.283 0.29 0.00 H new ATOM 0 HH22 ARG A 8 -17.685 4.231 -7.604 0.29 0.00 H new ATOM 141 N LEU A 9 -18.371 0.173 -0.014 0.09 0.00 N ATOM 142 CA LEU A 9 -17.266 -0.772 0.121 0.54 0.00 C ATOM 143 C LEU A 9 -17.644 -2.145 -0.427 1.00 0.00 C ATOM 144 O LEU A 9 -16.789 -2.884 -0.917 1.00 0.00 O ATOM 145 CB LEU A 9 -16.842 -0.895 1.586 0.15 0.00 C ATOM 146 CG LEU A 9 -16.136 0.332 2.166 0.16 0.00 C ATOM 147 CD1 LEU A 9 -15.873 0.141 3.652 0.65 0.00 C ATOM 148 CD2 LEU A 9 -14.833 0.599 1.425 0.30 0.00 C ATOM 0 H LEU A 9 -18.690 0.578 0.866 0.09 0.00 H new ATOM 0 HA LEU A 9 -16.428 -0.388 -0.462 0.54 0.00 H new ATOM 0 HB2 LEU A 9 -17.727 -1.103 2.187 0.15 0.00 H new ATOM 0 HB3 LEU A 9 -16.180 -1.755 1.685 0.15 0.00 H new ATOM 0 HG LEU A 9 -16.788 1.196 2.038 0.16 0.00 H new ATOM 0 HD11 LEU A 9 -15.370 1.023 4.049 0.65 0.00 H new ATOM 0 HD12 LEU A 9 -16.819 -0.003 4.173 0.65 0.00 H new ATOM 0 HD13 LEU A 9 -15.241 -0.734 3.800 0.65 0.00 H new ATOM 0 HD21 LEU A 9 -14.345 1.475 1.851 0.30 0.00 H new ATOM 0 HD22 LEU A 9 -14.176 -0.265 1.522 0.30 0.00 H new ATOM 0 HD23 LEU A 9 -15.044 0.778 0.371 0.30 0.00 H new ATOM 160 N MET A 10 -18.927 -2.480 -0.343 0.45 0.00 N ATOM 161 CA MET A 10 -19.413 -3.764 -0.834 0.11 0.00 C ATOM 162 C MET A 10 -19.375 -3.809 -2.357 1.00 0.00 C ATOM 163 O MET A 10 -19.209 -4.873 -2.955 1.00 0.00 O ATOM 164 CB MET A 10 -20.837 -4.020 -0.338 1.00 0.00 C ATOM 165 CG MET A 10 -20.973 -3.980 1.173 1.00 0.00 C ATOM 166 SD MET A 10 -22.652 -4.334 1.728 0.40 0.00 S ATOM 167 CE MET A 10 -22.466 -4.173 3.502 0.85 0.00 C ATOM 0 H MET A 10 -19.648 -1.881 0.060 0.45 0.00 H new ATOM 0 HA MET A 10 -18.759 -4.545 -0.448 0.11 0.00 H new ATOM 0 HB2 MET A 10 -21.503 -3.276 -0.774 1.00 0.00 H new ATOM 0 HB3 MET A 10 -21.168 -4.994 -0.698 1.00 0.00 H new ATOM 0 HG2 MET A 10 -20.288 -4.704 1.615 1.00 0.00 H new ATOM 0 HG3 MET A 10 -20.674 -2.996 1.535 1.00 0.00 H new ATOM 0 HE1 MET A 10 -22.621 -5.143 3.974 0.85 0.00 H new ATOM 0 HE2 MET A 10 -21.463 -3.814 3.732 0.85 0.00 H new ATOM 0 HE3 MET A 10 -23.201 -3.464 3.882 0.85 0.00 H new ATOM 177 N ARG A 11 -19.532 -2.645 -2.979 0.51 0.00 N ATOM 178 CA ARG A 11 -19.514 -2.546 -4.435 0.16 0.00 C ATOM 179 C ARG A 11 -18.093 -2.667 -4.974 1.00 0.00 C ATOM 180 O ARG A 11 -17.878 -3.164 -6.080 0.68 0.00 O ATOM 181 CB ARG A 11 -20.128 -1.215 -4.883 0.18 0.00 C ATOM 182 CG ARG A 11 -21.605 -1.073 -4.542 0.13 0.00 C ATOM 183 CD ARG A 11 -22.451 -2.090 -5.294 1.00 0.00 C ATOM 184 NE ARG A 11 -23.879 -1.800 -5.184 0.11 0.00 N ATOM 185 CZ ARG A 11 -24.825 -2.529 -5.771 1.00 0.00 C ATOM 186 NH1 ARG A 11 -24.496 -3.593 -6.494 1.00 0.00 N ATOM 187 NH2 ARG A 11 -26.101 -2.195 -5.632 0.11 0.00 N ATOM 0 H ARG A 11 -19.673 -1.757 -2.498 0.51 0.00 H new ATOM 0 HA ARG A 11 -20.106 -3.369 -4.836 0.16 0.00 H new ATOM 0 HB2 ARG A 11 -19.577 -0.397 -4.418 0.18 0.00 H new ATOM 0 HB3 ARG A 11 -20.002 -1.112 -5.961 0.18 0.00 H new ATOM 0 HG2 ARG A 11 -21.746 -1.203 -3.469 0.13 0.00 H new ATOM 0 HG3 ARG A 11 -21.941 -0.066 -4.788 0.13 0.00 H new ATOM 0 HD2 ARG A 11 -22.162 -2.096 -6.345 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -22.252 -3.088 -4.903 1.00 0.00 H new ATOM 0 HE ARG A 11 -24.166 -0.995 -4.627 0.11 0.00 H new ATOM 0 HH11 ARG A 11 -23.516 -3.854 -6.601 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -25.224 -4.150 -6.943 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -26.357 -1.380 -5.075 0.11 0.00 H new ATOM 0 HH22 ARG A 11 -26.826 -2.754 -6.082 0.11 0.00 H new ATOM 201 N ASP A 12 -17.124 -2.212 -4.184 1.00 0.00 N ATOM 202 CA ASP A 12 -15.722 -2.267 -4.582 1.00 0.00 C ATOM 203 C ASP A 12 -15.208 -3.704 -4.591 1.00 0.00 C ATOM 204 O ASP A 12 -14.369 -4.066 -5.415 0.16 0.00 O ATOM 205 CB ASP A 12 -14.866 -1.417 -3.640 1.00 0.00 C ATOM 206 CG ASP A 12 -15.206 0.061 -3.721 1.00 0.00 C ATOM 207 OD1 ASP A 12 -14.728 0.729 -4.662 0.43 0.00 O ATOM 208 OD2 ASP A 12 -15.952 0.547 -2.845 0.46 0.00 O ATOM 0 H ASP A 12 -17.285 -1.801 -3.264 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.647 -1.868 -5.593 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.005 -1.763 -2.616 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.813 -1.558 -3.884 1.00 0.00 H new ATOM 213 N PHE A 13 -15.718 -4.516 -3.672 0.42 0.00 N ATOM 214 CA PHE A 13 -15.306 -5.912 -3.575 1.00 0.00 C ATOM 215 C PHE A 13 -15.961 -6.754 -4.665 0.63 0.00 C ATOM 216 O PHE A 13 -15.299 -7.557 -5.323 0.33 0.00 O ATOM 217 CB PHE A 13 -15.656 -6.478 -2.195 0.30 0.00 C ATOM 218 CG PHE A 13 -15.301 -7.931 -2.032 1.00 0.00 C ATOM 219 CD1 PHE A 13 -14.021 -8.384 -2.315 1.00 0.00 C ATOM 220 CD2 PHE A 13 -16.249 -8.843 -1.597 0.22 0.00 C ATOM 221 CE1 PHE A 13 -13.695 -9.718 -2.168 0.27 0.00 C ATOM 222 CE2 PHE A 13 -15.928 -10.179 -1.448 0.05 0.00 C ATOM 223 CZ PHE A 13 -14.650 -10.617 -1.733 0.37 0.00 C ATOM 0 H PHE A 13 -16.416 -4.233 -2.984 0.42 0.00 H new ATOM 0 HA PHE A 13 -14.225 -5.953 -3.712 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -15.137 -5.898 -1.432 0.30 0.00 H new ATOM 0 HB3 PHE A 13 -16.724 -6.352 -2.020 0.30 0.00 H new ATOM 0 HD1 PHE A 13 -13.270 -7.685 -2.654 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -17.250 -8.506 -1.372 0.22 0.00 H new ATOM 0 HE1 PHE A 13 -12.695 -10.058 -2.393 0.27 0.00 H new ATOM 0 HE2 PHE A 13 -16.676 -10.880 -1.109 0.05 0.00 H new ATOM 0 HZ PHE A 13 -14.397 -11.660 -1.616 0.37 0.00 H new ATOM 233 N LYS A 14 -17.264 -6.565 -4.849 0.12 0.00 N ATOM 234 CA LYS A 14 -18.018 -7.308 -5.850 0.18 0.00 C ATOM 235 C LYS A 14 -17.379 -7.196 -7.232 1.00 0.00 C ATOM 236 O LYS A 14 -17.315 -8.175 -7.977 0.74 0.00 O ATOM 237 CB LYS A 14 -19.454 -6.795 -5.901 0.08 0.00 C ATOM 238 CG LYS A 14 -20.471 -7.889 -6.151 1.00 0.00 C ATOM 239 CD LYS A 14 -21.889 -7.375 -5.992 0.07 0.00 C ATOM 240 CE LYS A 14 -22.325 -6.552 -7.194 0.24 0.00 C ATOM 241 NZ LYS A 14 -22.245 -7.334 -8.458 0.06 0.00 N ATOM 0 H LYS A 14 -17.821 -5.899 -4.314 0.12 0.00 H new ATOM 0 HA LYS A 14 -18.012 -8.359 -5.562 0.18 0.00 H new ATOM 0 HB2 LYS A 14 -19.689 -6.298 -4.960 0.08 0.00 H new ATOM 0 HB3 LYS A 14 -19.537 -6.044 -6.687 0.08 0.00 H new ATOM 0 HG2 LYS A 14 -20.338 -8.288 -7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -20.301 -8.711 -5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.569 -8.217 -5.861 0.07 0.00 H new ATOM 0 HD3 LYS A 14 -21.957 -6.767 -5.090 0.07 0.00 H new ATOM 0 HE2 LYS A 14 -23.348 -6.205 -7.045 0.24 0.00 H new ATOM 0 HE3 LYS A 14 -21.696 -5.665 -7.275 0.24 0.00 H new ATOM 0 HZ1 LYS A 14 -22.898 -6.929 -9.159 0.06 0.00 H new ATOM 0 HZ2 LYS A 14 -21.274 -7.297 -8.828 0.06 0.00 H new ATOM 0 HZ3 LYS A 14 -22.507 -8.323 -8.272 0.06 0.00 H new ATOM 255 N ARG A 15 -16.909 -5.999 -7.568 0.30 0.00 N ATOM 256 CA ARG A 15 -16.281 -5.759 -8.866 0.70 0.00 C ATOM 257 C ARG A 15 -14.862 -6.320 -8.908 0.41 0.00 C ATOM 258 O ARG A 15 -14.351 -6.656 -9.975 0.09 0.00 O ATOM 259 CB ARG A 15 -16.259 -4.260 -9.171 0.17 0.00 C ATOM 260 CG ARG A 15 -15.599 -3.916 -10.497 1.00 0.00 C ATOM 261 CD ARG A 15 -15.643 -2.420 -10.772 0.14 0.00 C ATOM 262 NE ARG A 15 -14.937 -2.068 -12.001 0.05 0.00 N ATOM 263 CZ ARG A 15 -14.866 -0.831 -12.483 0.78 0.00 C ATOM 264 NH1 ARG A 15 -15.457 0.169 -11.843 0.16 0.00 N ATOM 265 NH2 ARG A 15 -14.201 -0.592 -13.606 1.00 0.00 N ATOM 0 H ARG A 15 -16.950 -5.180 -6.962 0.30 0.00 H new ATOM 0 HA ARG A 15 -16.871 -6.273 -9.625 0.70 0.00 H new ATOM 0 HB2 ARG A 15 -17.282 -3.884 -9.176 0.17 0.00 H new ATOM 0 HB3 ARG A 15 -15.733 -3.743 -8.368 0.17 0.00 H new ATOM 0 HG2 ARG A 15 -14.563 -4.255 -10.487 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.101 -4.450 -11.304 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -16.681 -2.095 -10.845 0.14 0.00 H new ATOM 0 HD3 ARG A 15 -15.199 -1.884 -9.933 0.14 0.00 H new ATOM 0 HE ARG A 15 -14.472 -2.814 -12.519 0.05 0.00 H new ATOM 0 HH11 ARG A 15 -15.968 -0.010 -10.978 0.16 0.00 H new ATOM 0 HH12 ARG A 15 -15.401 1.117 -12.215 0.16 0.00 H new ATOM 0 HH21 ARG A 15 -13.743 -1.358 -14.101 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.147 0.358 -13.975 1.00 0.00 H new ATOM 279 N LEU A 16 -14.230 -6.419 -7.742 0.09 0.00 N ATOM 280 CA LEU A 16 -12.868 -6.934 -7.658 1.00 0.00 C ATOM 281 C LEU A 16 -12.847 -8.444 -7.872 0.46 0.00 C ATOM 282 O LEU A 16 -11.883 -8.993 -8.405 0.07 0.00 O ATOM 283 CB LEU A 16 -12.251 -6.580 -6.302 1.00 0.00 C ATOM 284 CG LEU A 16 -10.735 -6.777 -6.198 0.29 0.00 C ATOM 285 CD1 LEU A 16 -10.135 -5.767 -5.231 0.29 0.00 C ATOM 286 CD2 LEU A 16 -10.406 -8.193 -5.751 0.61 0.00 C ATOM 0 H LEU A 16 -14.637 -6.151 -6.846 0.09 0.00 H new ATOM 0 HA LEU A 16 -12.275 -6.469 -8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.481 -5.538 -6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.732 -7.185 -5.534 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.301 -6.618 -7.185 0.29 0.00 H new ATOM 0 HD11 LEU A 16 -9.058 -5.920 -5.168 0.29 0.00 H new ATOM 0 HD12 LEU A 16 -10.338 -4.757 -5.587 0.29 0.00 H new ATOM 0 HD13 LEU A 16 -10.579 -5.900 -4.244 0.29 0.00 H new ATOM 0 HD21 LEU A 16 -9.325 -8.311 -5.684 0.61 0.00 H new ATOM 0 HD22 LEU A 16 -10.853 -8.379 -4.774 0.61 0.00 H new ATOM 0 HD23 LEU A 16 -10.804 -8.905 -6.474 0.61 0.00 H new ATOM 298 N GLN A 17 -13.922 -9.108 -7.460 0.06 0.00 N ATOM 299 CA GLN A 17 -14.035 -10.551 -7.600 0.60 0.00 C ATOM 300 C GLN A 17 -14.159 -10.957 -9.066 0.67 0.00 C ATOM 301 O GLN A 17 -13.541 -11.926 -9.505 1.00 0.00 O ATOM 302 CB GLN A 17 -15.250 -11.049 -6.818 0.19 0.00 C ATOM 303 CG GLN A 17 -15.150 -10.809 -5.320 0.55 0.00 C ATOM 304 CD GLN A 17 -16.403 -11.233 -4.579 0.24 0.00 C ATOM 305 OE1 GLN A 17 -17.333 -10.447 -4.410 0.83 0.00 O ATOM 306 NE2 GLN A 17 -16.430 -12.482 -4.128 0.98 0.00 N ATOM 0 H GLN A 17 -14.731 -8.664 -7.024 0.06 0.00 H new ATOM 0 HA GLN A 17 -13.129 -11.005 -7.200 0.60 0.00 H new ATOM 0 HB2 GLN A 17 -16.144 -10.554 -7.198 0.19 0.00 H new ATOM 0 HB3 GLN A 17 -15.375 -12.117 -6.999 0.19 0.00 H new ATOM 0 HG2 GLN A 17 -14.295 -11.357 -4.924 0.55 0.00 H new ATOM 0 HG3 GLN A 17 -14.964 -9.751 -5.136 0.55 0.00 H new ATOM 0 HE21 GLN A 17 -15.635 -13.100 -4.291 0.98 0.00 H new ATOM 0 HE22 GLN A 17 -17.245 -12.823 -3.619 0.98 0.00 H new ATOM 315 N GLU A 18 -14.962 -10.209 -9.819 0.08 0.00 N ATOM 316 CA GLU A 18 -15.168 -10.498 -11.236 0.57 0.00 C ATOM 317 C GLU A 18 -13.945 -10.112 -12.059 0.28 0.00 C ATOM 318 O GLU A 18 -13.750 -10.611 -13.167 0.27 0.00 O ATOM 319 CB GLU A 18 -16.396 -9.749 -11.761 0.43 0.00 C ATOM 320 CG GLU A 18 -16.206 -8.243 -11.844 1.00 0.00 C ATOM 321 CD GLU A 18 -17.410 -7.538 -12.437 1.00 0.00 C ATOM 322 OE1 GLU A 18 -18.320 -7.166 -11.666 0.53 0.00 O ATOM 323 OE2 GLU A 18 -17.444 -7.358 -13.673 0.11 0.00 O ATOM 0 H GLU A 18 -15.479 -9.401 -9.473 0.08 0.00 H new ATOM 0 HA GLU A 18 -15.330 -11.571 -11.335 0.57 0.00 H new ATOM 0 HB2 GLU A 18 -16.646 -10.130 -12.751 0.43 0.00 H new ATOM 0 HB3 GLU A 18 -17.246 -9.964 -11.113 0.43 0.00 H new ATOM 0 HG2 GLU A 18 -16.013 -7.849 -10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -15.326 -8.024 -12.449 1.00 0.00 H new ATOM 330 N ASP A 19 -13.126 -9.226 -11.507 0.35 0.00 N ATOM 331 CA ASP A 19 -11.929 -8.763 -12.196 0.07 0.00 C ATOM 332 C ASP A 19 -10.891 -8.240 -11.203 0.09 0.00 C ATOM 333 O ASP A 19 -10.852 -7.046 -10.908 0.15 0.00 O ATOM 334 CB ASP A 19 -12.299 -7.669 -13.199 1.00 0.00 C ATOM 335 CG ASP A 19 -11.079 -7.021 -13.828 0.97 0.00 C ATOM 336 OD1 ASP A 19 -10.546 -7.584 -14.807 0.66 0.00 O ATOM 337 OD2 ASP A 19 -10.658 -5.950 -13.342 0.67 0.00 O ATOM 0 H ASP A 19 -13.269 -8.814 -10.585 0.35 0.00 H new ATOM 0 HA ASP A 19 -11.490 -9.607 -12.729 0.07 0.00 H new ATOM 0 HB2 ASP A 19 -12.925 -8.096 -13.983 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -12.894 -6.906 -12.697 1.00 0.00 H new ATOM 342 N PRO A 20 -10.043 -9.135 -10.662 0.80 0.00 N ATOM 343 CA PRO A 20 -8.998 -8.754 -9.706 0.08 0.00 C ATOM 344 C PRO A 20 -7.902 -7.909 -10.356 0.88 0.00 C ATOM 345 O PRO A 20 -7.593 -8.091 -11.533 1.00 0.00 O ATOM 346 CB PRO A 20 -8.430 -10.098 -9.242 0.08 0.00 C ATOM 347 CG PRO A 20 -8.727 -11.037 -10.359 1.00 0.00 C ATOM 348 CD PRO A 20 -10.039 -10.584 -10.933 0.21 0.00 C ATOM 0 HA PRO A 20 -9.391 -8.141 -8.895 0.08 0.00 H new ATOM 0 HB2 PRO A 20 -7.358 -10.032 -9.054 0.08 0.00 H new ATOM 0 HB3 PRO A 20 -8.897 -10.426 -8.313 0.08 0.00 H new ATOM 0 HG2 PRO A 20 -7.940 -11.010 -11.113 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.790 -12.064 -10.000 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.105 -10.794 -12.000 0.21 0.00 H new ATOM 0 HD3 PRO A 20 -10.882 -11.085 -10.456 0.21 0.00 H new ATOM 356 N PRO A 21 -7.299 -6.972 -9.600 1.00 0.00 N ATOM 357 CA PRO A 21 -6.234 -6.108 -10.122 0.34 0.00 C ATOM 358 C PRO A 21 -4.994 -6.903 -10.515 1.00 0.00 C ATOM 359 O PRO A 21 -4.741 -7.981 -9.978 0.11 0.00 O ATOM 360 CB PRO A 21 -5.915 -5.165 -8.953 0.40 0.00 C ATOM 361 CG PRO A 21 -7.076 -5.279 -8.025 0.68 0.00 C ATOM 362 CD PRO A 21 -7.600 -6.675 -8.191 0.67 0.00 C ATOM 0 HA PRO A 21 -6.545 -5.586 -11.027 0.34 0.00 H new ATOM 0 HB2 PRO A 21 -4.987 -5.452 -8.459 0.40 0.00 H new ATOM 0 HB3 PRO A 21 -5.788 -4.139 -9.299 0.40 0.00 H new ATOM 0 HG2 PRO A 21 -6.772 -5.096 -6.994 0.68 0.00 H new ATOM 0 HG3 PRO A 21 -7.843 -4.543 -8.266 0.68 0.00 H new ATOM 0 HD2 PRO A 21 -7.107 -7.375 -7.516 0.67 0.00 H new ATOM 0 HD3 PRO A 21 -8.669 -6.733 -7.985 0.67 0.00 H new ATOM 370 N VAL A 22 -4.224 -6.362 -11.453 0.24 0.00 N ATOM 371 CA VAL A 22 -3.011 -7.022 -11.919 0.13 0.00 C ATOM 372 C VAL A 22 -1.822 -6.682 -11.027 0.13 0.00 C ATOM 373 O VAL A 22 -1.502 -5.510 -10.823 0.09 0.00 O ATOM 374 CB VAL A 22 -2.682 -6.628 -13.370 1.00 0.00 C ATOM 375 CG1 VAL A 22 -1.459 -7.385 -13.870 1.00 0.00 C ATOM 376 CG2 VAL A 22 -3.877 -6.881 -14.276 1.00 0.00 C ATOM 0 H VAL A 22 -4.419 -5.469 -11.905 0.24 0.00 H new ATOM 0 HA VAL A 22 -3.197 -8.095 -11.875 0.13 0.00 H new ATOM 0 HB VAL A 22 -2.454 -5.562 -13.392 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.244 -7.091 -14.898 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.602 -7.150 -13.239 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.654 -8.457 -13.832 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.626 -6.597 -15.298 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.138 -7.939 -14.248 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.725 -6.289 -13.933 1.00 0.00 H new ATOM 386 N GLY A 23 -1.171 -7.712 -10.495 0.32 0.00 N ATOM 387 CA GLY A 23 -0.019 -7.503 -9.637 0.29 0.00 C ATOM 388 C GLY A 23 -0.390 -7.409 -8.169 1.00 0.00 C ATOM 389 O GLY A 23 0.396 -7.791 -7.301 0.11 0.00 O ATOM 0 H GLY A 23 -1.422 -8.690 -10.643 0.32 0.00 H new ATOM 0 HA2 GLY A 23 0.686 -8.322 -9.777 0.29 0.00 H new ATOM 0 HA3 GLY A 23 0.491 -6.588 -9.938 0.29 0.00 H new ATOM 393 N VAL A 24 -1.584 -6.899 -7.891 1.00 0.00 N ATOM 394 CA VAL A 24 -2.050 -6.753 -6.516 1.00 0.00 C ATOM 395 C VAL A 24 -3.472 -7.279 -6.353 1.00 0.00 C ATOM 396 O VAL A 24 -4.281 -7.207 -7.277 0.78 0.00 O ATOM 397 CB VAL A 24 -2.002 -5.282 -6.059 0.15 0.00 C ATOM 398 CG1 VAL A 24 -0.574 -4.761 -6.088 0.39 0.00 C ATOM 399 CG2 VAL A 24 -2.907 -4.420 -6.928 1.00 0.00 C ATOM 0 H VAL A 24 -2.247 -6.580 -8.598 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.377 -7.342 -5.893 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.365 -5.229 -5.033 0.15 0.00 H new ATOM 0 HG11 VAL A 24 -0.559 -3.721 -5.762 0.39 0.00 H new ATOM 0 HG12 VAL A 24 0.045 -5.359 -5.420 0.39 0.00 H new ATOM 0 HG13 VAL A 24 -0.183 -4.829 -7.103 0.39 0.00 H new ATOM 0 HG21 VAL A 24 -2.859 -3.385 -6.589 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.578 -4.478 -7.965 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.933 -4.779 -6.853 1.00 0.00 H new ATOM 409 N SER A 25 -3.766 -7.812 -5.172 0.40 0.00 N ATOM 410 CA SER A 25 -5.092 -8.345 -4.883 1.00 0.00 C ATOM 411 C SER A 25 -5.545 -7.933 -3.488 1.00 0.00 C ATOM 412 O SER A 25 -4.789 -8.046 -2.523 0.13 0.00 O ATOM 413 CB SER A 25 -5.092 -9.871 -5.003 1.00 0.00 C ATOM 414 OG SER A 25 -4.782 -10.278 -6.324 0.31 0.00 O ATOM 0 H SER A 25 -3.104 -7.886 -4.400 0.40 0.00 H new ATOM 0 HA SER A 25 -5.790 -7.933 -5.612 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.366 -10.294 -4.309 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.069 -10.261 -4.719 1.00 0.00 H new ATOM 0 HG SER A 25 -4.787 -11.257 -6.374 0.31 0.00 H new ATOM 420 N GLY A 26 -6.781 -7.459 -3.385 0.11 0.00 N ATOM 421 CA GLY A 26 -7.307 -7.039 -2.099 0.81 0.00 C ATOM 422 C GLY A 26 -8.693 -7.589 -1.828 0.22 0.00 C ATOM 423 O GLY A 26 -9.614 -7.390 -2.619 0.12 0.00 O ATOM 0 H GLY A 26 -7.428 -7.358 -4.167 0.11 0.00 H new ATOM 0 HA2 GLY A 26 -6.630 -7.365 -1.310 0.81 0.00 H new ATOM 0 HA3 GLY A 26 -7.339 -5.950 -2.062 0.81 0.00 H new ATOM 427 N ALA A 27 -8.838 -8.281 -0.704 1.00 0.00 N ATOM 428 CA ALA A 27 -10.118 -8.863 -0.317 0.15 0.00 C ATOM 429 C ALA A 27 -10.219 -8.990 1.202 0.19 0.00 C ATOM 430 O ALA A 27 -9.221 -9.253 1.872 0.11 0.00 O ATOM 431 CB ALA A 27 -10.303 -10.220 -0.978 0.05 0.00 C ATOM 0 H ALA A 27 -8.081 -8.453 -0.042 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.913 -8.199 -0.656 0.15 0.00 H new ATOM 0 HB1 ALA A 27 -11.263 -10.642 -0.680 0.05 0.00 H new ATOM 0 HB2 ALA A 27 -10.279 -10.103 -2.061 0.05 0.00 H new ATOM 0 HB3 ALA A 27 -9.500 -10.889 -0.667 0.05 0.00 H new ATOM 437 N PRO A 28 -11.427 -8.807 1.768 0.36 0.00 N ATOM 438 CA PRO A 28 -11.636 -8.903 3.216 0.32 0.00 C ATOM 439 C PRO A 28 -11.561 -10.339 3.722 0.49 0.00 C ATOM 440 O PRO A 28 -12.520 -11.101 3.601 0.53 0.00 O ATOM 441 CB PRO A 28 -13.046 -8.342 3.406 0.20 0.00 C ATOM 442 CG PRO A 28 -13.734 -8.617 2.116 0.28 0.00 C ATOM 443 CD PRO A 28 -12.679 -8.494 1.050 1.00 0.00 C ATOM 0 HA PRO A 28 -10.869 -8.367 3.775 0.32 0.00 H new ATOM 0 HB2 PRO A 28 -13.556 -8.825 4.239 0.20 0.00 H new ATOM 0 HB3 PRO A 28 -13.022 -7.274 3.623 0.20 0.00 H new ATOM 0 HG2 PRO A 28 -14.176 -9.613 2.114 0.28 0.00 H new ATOM 0 HG3 PRO A 28 -14.544 -7.908 1.947 0.28 0.00 H new ATOM 0 HD2 PRO A 28 -12.855 -9.188 0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.656 -7.492 0.621 1.00 0.00 H new ATOM 451 N SER A 29 -10.412 -10.705 4.282 0.07 0.00 N ATOM 452 CA SER A 29 -10.210 -12.050 4.810 0.64 0.00 C ATOM 453 C SER A 29 -10.170 -12.032 6.334 0.16 0.00 C ATOM 454 O SER A 29 -9.535 -11.164 6.932 0.20 0.00 O ATOM 455 CB SER A 29 -8.915 -12.653 4.259 0.10 0.00 C ATOM 456 OG SER A 29 -7.788 -11.891 4.657 0.20 0.00 O ATOM 0 H SER A 29 -9.606 -10.088 4.382 0.07 0.00 H new ATOM 0 HA SER A 29 -11.050 -12.668 4.492 0.64 0.00 H new ATOM 0 HB2 SER A 29 -8.808 -13.678 4.613 0.10 0.00 H new ATOM 0 HB3 SER A 29 -8.964 -12.695 3.171 0.10 0.00 H new ATOM 0 HG SER A 29 -8.081 -11.141 5.216 0.20 0.00 H new ATOM 462 N GLU A 30 -10.848 -12.998 6.951 1.00 0.00 N ATOM 463 CA GLU A 30 -10.904 -13.100 8.408 0.11 0.00 C ATOM 464 C GLU A 30 -11.585 -11.875 9.017 0.06 0.00 C ATOM 465 O GLU A 30 -12.768 -11.918 9.358 0.27 0.00 O ATOM 466 CB GLU A 30 -9.499 -13.268 8.996 0.11 0.00 C ATOM 467 CG GLU A 30 -8.794 -14.538 8.541 0.14 0.00 C ATOM 468 CD GLU A 30 -9.499 -15.795 9.012 0.26 0.00 C ATOM 469 OE1 GLU A 30 -10.426 -16.254 8.311 0.12 0.00 O ATOM 470 OE2 GLU A 30 -9.121 -16.322 10.079 1.00 0.00 O ATOM 0 H GLU A 30 -11.369 -13.725 6.461 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.494 -13.982 8.656 0.11 0.00 H new ATOM 0 HB2 GLU A 30 -8.892 -12.406 8.717 0.11 0.00 H new ATOM 0 HB3 GLU A 30 -9.568 -13.271 10.084 0.11 0.00 H new ATOM 0 HG2 GLU A 30 -8.733 -14.546 7.453 0.14 0.00 H new ATOM 0 HG3 GLU A 30 -7.771 -14.536 8.917 0.14 0.00 H new ATOM 477 N ASN A 31 -10.831 -10.787 9.152 0.07 0.00 N ATOM 478 CA ASN A 31 -11.359 -9.547 9.711 0.41 0.00 C ATOM 479 C ASN A 31 -12.610 -9.102 8.960 0.23 0.00 C ATOM 480 O ASN A 31 -12.729 -9.315 7.753 0.24 0.00 O ATOM 481 CB ASN A 31 -10.298 -8.448 9.659 0.15 0.00 C ATOM 482 CG ASN A 31 -9.061 -8.801 10.462 1.00 0.00 C ATOM 483 OD1 ASN A 31 -8.969 -8.492 11.649 0.25 0.00 O ATOM 484 ND2 ASN A 31 -8.101 -9.452 9.813 1.00 0.00 N ATOM 0 H ASN A 31 -9.849 -10.740 8.881 0.07 0.00 H new ATOM 0 HA ASN A 31 -11.629 -9.731 10.751 0.41 0.00 H new ATOM 0 HB2 ASN A 31 -10.016 -8.268 8.622 0.15 0.00 H new ATOM 0 HB3 ASN A 31 -10.722 -7.519 10.040 0.15 0.00 H new ATOM 0 HD21 ASN A 31 -7.245 -9.716 10.300 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.221 -9.688 8.828 1.00 0.00 H new ATOM 491 N ASN A 32 -13.544 -8.489 9.684 1.00 0.00 N ATOM 492 CA ASN A 32 -14.792 -8.017 9.089 0.43 0.00 C ATOM 493 C ASN A 32 -14.532 -7.006 7.974 0.43 0.00 C ATOM 494 O ASN A 32 -13.386 -6.756 7.597 1.00 0.00 O ATOM 495 CB ASN A 32 -15.685 -7.390 10.162 1.00 0.00 C ATOM 496 CG ASN A 32 -15.981 -8.348 11.299 0.53 0.00 C ATOM 497 OD1 ASN A 32 -15.263 -8.387 12.297 0.38 0.00 O ATOM 498 ND2 ASN A 32 -17.043 -9.132 11.152 0.60 0.00 N ATOM 0 H ASN A 32 -13.460 -8.307 10.684 1.00 0.00 H new ATOM 0 HA ASN A 32 -15.299 -8.878 8.654 0.43 0.00 H new ATOM 0 HB2 ASN A 32 -15.200 -6.498 10.559 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -16.622 -7.068 9.708 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.290 -9.799 11.883 0.60 0.00 H new ATOM 0 HD22 ASN A 32 -17.612 -9.067 10.308 0.60 0.00 H new ATOM 505 N ILE A 33 -15.609 -6.428 7.451 0.15 0.00 N ATOM 506 CA ILE A 33 -15.518 -5.449 6.372 1.00 0.00 C ATOM 507 C ILE A 33 -14.646 -4.257 6.767 0.05 0.00 C ATOM 508 O ILE A 33 -14.159 -3.521 5.908 0.07 0.00 O ATOM 509 CB ILE A 33 -16.916 -4.945 5.960 0.17 0.00 C ATOM 510 CG1 ILE A 33 -16.818 -4.034 4.732 1.00 0.00 C ATOM 511 CG2 ILE A 33 -17.579 -4.216 7.119 0.07 0.00 C ATOM 512 CD1 ILE A 33 -18.162 -3.641 4.156 1.00 0.00 C ATOM 0 H ILE A 33 -16.562 -6.622 7.759 0.15 0.00 H new ATOM 0 HA ILE A 33 -15.056 -5.955 5.524 1.00 0.00 H new ATOM 0 HB ILE A 33 -17.532 -5.805 5.698 0.17 0.00 H new ATOM 0 HG12 ILE A 33 -16.271 -3.131 5.003 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -16.236 -4.540 3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -18.565 -3.866 6.813 0.07 0.00 H new ATOM 0 HG22 ILE A 33 -17.682 -4.895 7.965 0.07 0.00 H new ATOM 0 HG23 ILE A 33 -16.966 -3.363 7.411 0.07 0.00 H new ATOM 0 HD11 ILE A 33 -18.012 -2.996 3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -18.704 -4.537 3.852 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -18.739 -3.106 4.911 1.00 0.00 H new ATOM 524 N MET A 34 -14.450 -4.072 8.068 1.00 0.00 N ATOM 525 CA MET A 34 -13.636 -2.967 8.567 0.05 0.00 C ATOM 526 C MET A 34 -12.222 -3.024 7.996 1.00 0.00 C ATOM 527 O MET A 34 -11.819 -2.155 7.224 0.12 0.00 O ATOM 528 CB MET A 34 -13.580 -2.993 10.096 0.42 0.00 C ATOM 529 CG MET A 34 -14.917 -2.710 10.760 0.32 0.00 C ATOM 530 SD MET A 34 -14.834 -2.802 12.560 1.00 0.00 S ATOM 531 CE MET A 34 -13.588 -1.563 12.909 0.14 0.00 C ATOM 0 H MET A 34 -14.842 -4.670 8.795 1.00 0.00 H new ATOM 0 HA MET A 34 -14.102 -2.037 8.242 0.05 0.00 H new ATOM 0 HB2 MET A 34 -13.222 -3.970 10.421 0.42 0.00 H new ATOM 0 HB3 MET A 34 -12.852 -2.257 10.437 0.42 0.00 H new ATOM 0 HG2 MET A 34 -15.261 -1.718 10.466 0.32 0.00 H new ATOM 0 HG3 MET A 34 -15.656 -3.424 10.398 0.32 0.00 H new ATOM 0 HE1 MET A 34 -13.820 -1.069 13.853 0.14 0.00 H new ATOM 0 HE2 MET A 34 -12.610 -2.040 12.980 0.14 0.00 H new ATOM 0 HE3 MET A 34 -13.574 -0.825 12.107 0.14 0.00 H new ATOM 541 N GLN A 35 -11.473 -4.054 8.380 0.45 0.00 N ATOM 542 CA GLN A 35 -10.104 -4.223 7.906 1.00 0.00 C ATOM 543 C GLN A 35 -10.049 -5.105 6.667 0.14 0.00 C ATOM 544 O GLN A 35 -10.699 -6.149 6.602 1.00 0.00 O ATOM 545 CB GLN A 35 -9.230 -4.815 9.007 0.06 0.00 C ATOM 546 CG GLN A 35 -8.607 -3.757 9.893 0.90 0.00 C ATOM 547 CD GLN A 35 -7.687 -4.333 10.947 1.00 0.00 C ATOM 548 OE1 GLN A 35 -7.899 -5.438 11.444 1.00 0.00 O ATOM 549 NE2 GLN A 35 -6.650 -3.580 11.282 0.08 0.00 N ATOM 0 H GLN A 35 -11.791 -4.784 9.018 0.45 0.00 H new ATOM 0 HA GLN A 35 -9.723 -3.238 7.637 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.831 -5.488 9.619 0.06 0.00 H new ATOM 0 HB3 GLN A 35 -8.440 -5.415 8.555 0.06 0.00 H new ATOM 0 HG2 GLN A 35 -8.047 -3.057 9.274 0.90 0.00 H new ATOM 0 HG3 GLN A 35 -9.398 -3.188 10.381 0.90 0.00 H new ATOM 0 HE21 GLN A 35 -6.517 -2.670 10.841 0.08 0.00 H new ATOM 0 HE22 GLN A 35 -5.984 -3.910 11.981 0.08 0.00 H new ATOM 558 N TRP A 36 -9.265 -4.675 5.686 0.31 0.00 N ATOM 559 CA TRP A 36 -9.112 -5.420 4.439 0.16 0.00 C ATOM 560 C TRP A 36 -7.690 -5.949 4.292 0.50 0.00 C ATOM 561 O TRP A 36 -6.721 -5.218 4.496 0.11 0.00 O ATOM 562 CB TRP A 36 -9.459 -4.539 3.238 0.45 0.00 C ATOM 563 CG TRP A 36 -10.932 -4.430 2.972 0.10 0.00 C ATOM 564 CD1 TRP A 36 -11.934 -4.341 3.897 0.26 0.00 C ATOM 565 CD2 TRP A 36 -11.567 -4.396 1.689 1.00 0.00 C ATOM 566 NE1 TRP A 36 -13.152 -4.258 3.265 0.27 0.00 N ATOM 567 CE2 TRP A 36 -12.953 -4.289 1.911 0.05 0.00 C ATOM 568 CE3 TRP A 36 -11.101 -4.447 0.371 0.97 0.00 C ATOM 569 CZ2 TRP A 36 -13.874 -4.231 0.867 0.14 0.00 C ATOM 570 CZ3 TRP A 36 -12.015 -4.389 -0.663 1.00 0.00 C ATOM 571 CH2 TRP A 36 -13.389 -4.281 -0.410 0.26 0.00 C ATOM 0 H TRP A 36 -8.723 -3.812 5.729 0.31 0.00 H new ATOM 0 HA TRP A 36 -9.800 -6.265 4.471 0.16 0.00 H new ATOM 0 HB2 TRP A 36 -9.054 -3.540 3.403 0.45 0.00 H new ATOM 0 HB3 TRP A 36 -8.968 -4.940 2.351 0.45 0.00 H new ATOM 0 HD1 TRP A 36 -11.790 -4.337 4.967 0.26 0.00 H new ATOM 0 HE1 TRP A 36 -14.057 -4.185 3.730 0.27 0.00 H new ATOM 0 HE3 TRP A 36 -10.044 -4.530 0.165 0.97 0.00 H new ATOM 0 HZ2 TRP A 36 -14.933 -4.149 1.060 0.14 0.00 H new ATOM 0 HZ3 TRP A 36 -11.665 -4.428 -1.684 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -14.078 -4.236 -1.240 0.26 0.00 H new ATOM 582 N ASN A 37 -7.571 -7.221 3.928 1.00 0.00 N ATOM 583 CA ASN A 37 -6.265 -7.845 3.752 0.47 0.00 C ATOM 584 C ASN A 37 -5.893 -7.918 2.275 1.00 0.00 C ATOM 585 O ASN A 37 -6.543 -8.613 1.493 0.22 0.00 O ATOM 586 CB ASN A 37 -6.255 -9.247 4.363 0.06 0.00 C ATOM 587 CG ASN A 37 -6.473 -9.224 5.862 0.85 0.00 C ATOM 588 OD1 ASN A 37 -7.604 -9.318 6.338 0.39 0.00 O ATOM 589 ND2 ASN A 37 -5.387 -9.099 6.616 0.17 0.00 N ATOM 0 H ASN A 37 -8.362 -7.840 3.749 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.526 -7.230 4.266 0.47 0.00 H new ATOM 0 HB2 ASN A 37 -7.033 -9.850 3.895 0.06 0.00 H new ATOM 0 HB3 ASN A 37 -5.302 -9.729 4.144 0.06 0.00 H new ATOM 0 HD21 ASN A 37 -5.471 -9.078 7.632 0.17 0.00 H new ATOM 0 HD22 ASN A 37 -4.468 -9.024 6.179 0.17 0.00 H new ATOM 596 N ALA A 38 -4.843 -7.194 1.902 0.38 0.00 N ATOM 597 CA ALA A 38 -4.382 -7.172 0.522 0.16 0.00 C ATOM 598 C ALA A 38 -2.919 -7.590 0.427 0.07 0.00 C ATOM 599 O ALA A 38 -2.143 -7.386 1.360 0.41 0.00 O ATOM 600 CB ALA A 38 -4.576 -5.786 -0.077 0.39 0.00 C ATOM 0 H ALA A 38 -4.296 -6.615 2.538 0.38 0.00 H new ATOM 0 HA ALA A 38 -4.976 -7.888 -0.046 0.16 0.00 H new ATOM 0 HB1 ALA A 38 -4.227 -5.784 -1.110 0.39 0.00 H new ATOM 0 HB2 ALA A 38 -5.633 -5.523 -0.051 0.39 0.00 H new ATOM 0 HB3 ALA A 38 -4.007 -5.057 0.500 0.39 0.00 H new ATOM 606 N VAL A 39 -2.553 -8.185 -0.703 0.17 0.00 N ATOM 607 CA VAL A 39 -1.184 -8.633 -0.922 1.00 0.00 C ATOM 608 C VAL A 39 -0.591 -7.993 -2.173 0.50 0.00 C ATOM 609 O VAL A 39 -1.129 -8.137 -3.271 0.83 0.00 O ATOM 610 CB VAL A 39 -1.109 -10.166 -1.059 0.14 0.00 C ATOM 611 CG1 VAL A 39 0.337 -10.623 -1.172 0.14 0.00 C ATOM 612 CG2 VAL A 39 -1.799 -10.842 0.115 0.22 0.00 C ATOM 0 H VAL A 39 -3.186 -8.368 -1.481 0.17 0.00 H new ATOM 0 HA VAL A 39 -0.607 -8.325 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.629 -10.456 -1.972 0.14 0.00 H new ATOM 0 HG11 VAL A 39 0.369 -11.708 -1.268 0.14 0.00 H new ATOM 0 HG12 VAL A 39 0.795 -10.167 -2.050 0.14 0.00 H new ATOM 0 HG13 VAL A 39 0.885 -10.321 -0.279 0.14 0.00 H new ATOM 0 HG21 VAL A 39 -1.736 -11.924 0.000 0.22 0.00 H new ATOM 0 HG22 VAL A 39 -1.311 -10.546 1.044 0.22 0.00 H new ATOM 0 HG23 VAL A 39 -2.846 -10.541 0.144 0.22 0.00 H new ATOM 622 N ILE A 40 0.522 -7.288 -1.997 1.00 0.00 N ATOM 623 CA ILE A 40 1.191 -6.624 -3.110 0.32 0.00 C ATOM 624 C ILE A 40 2.504 -7.321 -3.448 0.10 0.00 C ATOM 625 O ILE A 40 3.300 -7.627 -2.562 1.00 0.00 O ATOM 626 CB ILE A 40 1.476 -5.141 -2.792 0.94 0.00 C ATOM 627 CG1 ILE A 40 0.165 -4.392 -2.542 0.36 0.00 C ATOM 628 CG2 ILE A 40 2.260 -4.494 -3.927 0.63 0.00 C ATOM 629 CD1 ILE A 40 0.357 -2.955 -2.111 0.41 0.00 C ATOM 0 H ILE A 40 0.980 -7.162 -1.094 1.00 0.00 H new ATOM 0 HA ILE A 40 0.518 -6.680 -3.966 0.32 0.00 H new ATOM 0 HB ILE A 40 2.081 -5.087 -1.887 0.94 0.00 H new ATOM 0 HG12 ILE A 40 -0.434 -4.412 -3.453 0.36 0.00 H new ATOM 0 HG13 ILE A 40 -0.403 -4.919 -1.776 0.36 0.00 H new ATOM 0 HG21 ILE A 40 2.452 -3.448 -3.686 0.63 0.00 H new ATOM 0 HG22 ILE A 40 3.208 -5.016 -4.059 0.63 0.00 H new ATOM 0 HG23 ILE A 40 1.682 -4.554 -4.849 0.63 0.00 H new ATOM 0 HD11 ILE A 40 -0.616 -2.490 -1.953 0.41 0.00 H new ATOM 0 HD12 ILE A 40 0.928 -2.927 -1.183 0.41 0.00 H new ATOM 0 HD13 ILE A 40 0.897 -2.412 -2.886 0.41 0.00 H new ATOM 641 N PHE A 41 2.723 -7.569 -4.735 0.44 0.00 N ATOM 642 CA PHE A 41 3.942 -8.225 -5.188 0.12 0.00 C ATOM 643 C PHE A 41 4.869 -7.225 -5.869 0.07 0.00 C ATOM 644 O PHE A 41 4.436 -6.438 -6.710 1.00 0.00 O ATOM 645 CB PHE A 41 3.605 -9.369 -6.148 0.18 0.00 C ATOM 646 CG PHE A 41 2.652 -10.377 -5.567 0.14 0.00 C ATOM 647 CD1 PHE A 41 2.984 -11.085 -4.422 0.12 0.00 C ATOM 648 CD2 PHE A 41 1.427 -10.617 -6.167 0.44 0.00 C ATOM 649 CE1 PHE A 41 2.111 -12.012 -3.887 0.95 0.00 C ATOM 650 CE2 PHE A 41 0.549 -11.543 -5.636 0.50 0.00 C ATOM 651 CZ PHE A 41 0.891 -12.241 -4.495 0.09 0.00 C ATOM 0 H PHE A 41 2.072 -7.325 -5.482 0.44 0.00 H new ATOM 0 HA PHE A 41 4.454 -8.635 -4.318 0.12 0.00 H new ATOM 0 HB2 PHE A 41 3.172 -8.954 -7.058 0.18 0.00 H new ATOM 0 HB3 PHE A 41 4.527 -9.875 -6.435 0.18 0.00 H new ATOM 0 HD1 PHE A 41 3.936 -10.910 -3.943 0.12 0.00 H new ATOM 0 HD2 PHE A 41 1.155 -10.074 -7.060 0.44 0.00 H new ATOM 0 HE1 PHE A 41 2.381 -12.557 -2.995 0.95 0.00 H new ATOM 0 HE2 PHE A 41 -0.404 -11.720 -6.113 0.50 0.00 H new ATOM 0 HZ PHE A 41 0.206 -12.965 -4.078 0.09 0.00 H new ATOM 661 N GLY A 42 6.145 -7.260 -5.495 0.48 0.00 N ATOM 662 CA GLY A 42 7.114 -6.348 -6.073 0.42 0.00 C ATOM 663 C GLY A 42 7.150 -6.421 -7.590 0.12 0.00 C ATOM 664 O GLY A 42 6.923 -7.487 -8.162 1.00 0.00 O ATOM 0 H GLY A 42 6.524 -7.904 -4.801 0.48 0.00 H new ATOM 0 HA2 GLY A 42 6.876 -5.329 -5.767 0.42 0.00 H new ATOM 0 HA3 GLY A 42 8.104 -6.577 -5.678 0.42 0.00 H new ATOM 668 N PRO A 43 7.438 -5.298 -8.275 0.06 0.00 N ATOM 669 CA PRO A 43 7.499 -5.264 -9.740 0.08 0.00 C ATOM 670 C PRO A 43 8.698 -6.030 -10.282 1.00 0.00 C ATOM 671 O PRO A 43 9.396 -6.714 -9.535 0.14 0.00 O ATOM 672 CB PRO A 43 7.627 -3.771 -10.057 0.17 0.00 C ATOM 673 CG PRO A 43 8.247 -3.176 -8.841 1.00 0.00 C ATOM 674 CD PRO A 43 7.732 -3.979 -7.679 1.00 0.00 C ATOM 0 HA PRO A 43 6.629 -5.735 -10.197 0.08 0.00 H new ATOM 0 HB2 PRO A 43 8.247 -3.605 -10.938 0.17 0.00 H new ATOM 0 HB3 PRO A 43 6.654 -3.325 -10.263 0.17 0.00 H new ATOM 0 HG2 PRO A 43 9.335 -3.222 -8.895 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.977 -2.125 -8.739 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.473 -4.054 -6.883 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.841 -3.528 -7.243 1.00 0.00 H new ATOM 682 N GLU A 44 8.933 -5.914 -11.584 0.18 0.00 N ATOM 683 CA GLU A 44 10.049 -6.602 -12.222 0.05 0.00 C ATOM 684 C GLU A 44 11.306 -5.743 -12.212 0.48 0.00 C ATOM 685 O GLU A 44 11.244 -4.530 -12.010 0.12 0.00 O ATOM 686 CB GLU A 44 9.695 -6.977 -13.660 0.89 0.00 C ATOM 687 CG GLU A 44 8.873 -8.249 -13.772 0.06 0.00 C ATOM 688 CD GLU A 44 7.503 -8.119 -13.135 0.76 0.00 C ATOM 689 OE1 GLU A 44 6.562 -7.690 -13.835 0.16 0.00 O ATOM 690 OE2 GLU A 44 7.373 -8.444 -11.935 0.36 0.00 O ATOM 0 H GLU A 44 8.366 -5.351 -12.218 0.18 0.00 H new ATOM 0 HA GLU A 44 10.246 -7.510 -11.651 0.05 0.00 H new ATOM 0 HB2 GLU A 44 9.142 -6.156 -14.115 0.89 0.00 H new ATOM 0 HB3 GLU A 44 10.615 -7.097 -14.232 0.89 0.00 H new ATOM 0 HG2 GLU A 44 8.757 -8.510 -14.824 0.06 0.00 H new ATOM 0 HG3 GLU A 44 9.413 -9.069 -13.298 0.06 0.00 H new ATOM 697 N GLY A 45 12.446 -6.388 -12.435 0.21 0.00 N ATOM 698 CA GLY A 45 13.714 -5.684 -12.457 0.77 0.00 C ATOM 699 C GLY A 45 14.001 -4.953 -11.159 1.00 0.00 C ATOM 700 O GLY A 45 14.665 -3.917 -11.159 1.00 0.00 O ATOM 0 H GLY A 45 12.514 -7.392 -12.602 0.21 0.00 H new ATOM 0 HA2 GLY A 45 14.516 -6.395 -12.654 0.77 0.00 H new ATOM 0 HA3 GLY A 45 13.713 -4.969 -13.279 0.77 0.00 H new ATOM 704 N THR A 46 13.503 -5.495 -10.050 0.09 0.00 N ATOM 705 CA THR A 46 13.712 -4.887 -8.740 0.45 0.00 C ATOM 706 C THR A 46 14.083 -5.940 -7.698 0.88 0.00 C ATOM 707 O THR A 46 13.717 -7.106 -7.833 1.00 0.00 O ATOM 708 CB THR A 46 12.456 -4.136 -8.262 1.00 0.00 C ATOM 709 OG1 THR A 46 11.328 -5.020 -8.262 0.92 0.00 O ATOM 710 CG2 THR A 46 12.165 -2.936 -9.151 1.00 0.00 C ATOM 0 H THR A 46 12.952 -6.353 -10.033 0.09 0.00 H new ATOM 0 HA THR A 46 14.533 -4.178 -8.849 0.45 0.00 H new ATOM 0 HB THR A 46 12.640 -3.778 -7.249 1.00 0.00 H new ATOM 0 HG1 THR A 46 11.123 -5.288 -9.182 0.92 0.00 H new ATOM 0 HG21 THR A 46 11.273 -2.424 -8.791 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.012 -2.250 -9.126 1.00 0.00 H new ATOM 0 HG23 THR A 46 12.001 -3.273 -10.175 1.00 0.00 H new ATOM 718 N PRO A 47 14.818 -5.547 -6.640 1.00 0.00 N ATOM 719 CA PRO A 47 15.226 -6.473 -5.576 1.00 0.00 C ATOM 720 C PRO A 47 14.041 -6.960 -4.747 0.15 0.00 C ATOM 721 O PRO A 47 14.199 -7.775 -3.839 0.06 0.00 O ATOM 722 CB PRO A 47 16.171 -5.635 -4.713 1.00 0.00 C ATOM 723 CG PRO A 47 15.773 -4.224 -4.968 0.14 0.00 C ATOM 724 CD PRO A 47 15.312 -4.177 -6.397 0.10 0.00 C ATOM 0 HA PRO A 47 15.685 -7.376 -5.978 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.072 -5.889 -3.658 1.00 0.00 H new ATOM 0 HB3 PRO A 47 17.212 -5.807 -4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.977 -3.914 -4.291 0.14 0.00 H new ATOM 0 HG3 PRO A 47 16.611 -3.546 -4.806 0.14 0.00 H new ATOM 0 HD2 PRO A 47 14.527 -3.435 -6.542 0.10 0.00 H new ATOM 0 HD3 PRO A 47 16.126 -3.917 -7.074 0.10 0.00 H new ATOM 732 N PHE A 48 12.855 -6.449 -5.064 1.00 0.00 N ATOM 733 CA PHE A 48 11.642 -6.830 -4.354 1.00 0.00 C ATOM 734 C PHE A 48 10.839 -7.840 -5.168 0.16 0.00 C ATOM 735 O PHE A 48 9.876 -8.427 -4.676 0.11 0.00 O ATOM 736 CB PHE A 48 10.781 -5.598 -4.071 0.27 0.00 C ATOM 737 CG PHE A 48 11.544 -4.459 -3.456 0.16 0.00 C ATOM 738 CD1 PHE A 48 11.695 -4.372 -2.081 1.00 0.00 C ATOM 739 CD2 PHE A 48 12.107 -3.476 -4.254 1.00 0.00 C ATOM 740 CE1 PHE A 48 12.394 -3.324 -1.514 1.00 0.00 C ATOM 741 CE2 PHE A 48 12.806 -2.425 -3.692 0.18 0.00 C ATOM 742 CZ PHE A 48 12.950 -2.348 -2.321 0.90 0.00 C ATOM 0 H PHE A 48 12.710 -5.769 -5.810 1.00 0.00 H new ATOM 0 HA PHE A 48 11.932 -7.288 -3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.328 -5.260 -5.003 0.27 0.00 H new ATOM 0 HB3 PHE A 48 9.966 -5.880 -3.405 0.27 0.00 H new ATOM 0 HD1 PHE A 48 11.262 -5.131 -1.447 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.998 -3.532 -5.327 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.506 -3.267 -0.441 1.00 0.00 H new ATOM 0 HE2 PHE A 48 13.239 -1.664 -4.325 0.18 0.00 H new ATOM 0 HZ PHE A 48 13.496 -1.527 -1.880 0.90 0.00 H new ATOM 752 N GLU A 49 11.246 -8.032 -6.420 0.07 0.00 N ATOM 753 CA GLU A 49 10.569 -8.962 -7.315 0.08 0.00 C ATOM 754 C GLU A 49 10.577 -10.380 -6.744 0.07 0.00 C ATOM 755 O GLU A 49 9.669 -11.170 -7.005 0.08 0.00 O ATOM 756 CB GLU A 49 11.236 -8.947 -8.695 0.48 0.00 C ATOM 757 CG GLU A 49 12.566 -9.685 -8.743 0.96 0.00 C ATOM 758 CD GLU A 49 13.231 -9.595 -10.103 1.00 0.00 C ATOM 759 OE1 GLU A 49 12.908 -10.425 -10.978 1.00 0.00 O ATOM 760 OE2 GLU A 49 14.076 -8.694 -10.294 1.00 0.00 O ATOM 0 H GLU A 49 12.044 -7.553 -6.837 0.07 0.00 H new ATOM 0 HA GLU A 49 9.532 -8.641 -7.415 0.08 0.00 H new ATOM 0 HB2 GLU A 49 10.557 -9.394 -9.421 0.48 0.00 H new ATOM 0 HB3 GLU A 49 11.394 -7.913 -9.001 0.48 0.00 H new ATOM 0 HG2 GLU A 49 13.234 -9.272 -7.987 0.96 0.00 H new ATOM 0 HG3 GLU A 49 12.406 -10.733 -8.489 0.96 0.00 H new ATOM 767 N ASP A 50 11.608 -10.694 -5.967 0.76 0.00 N ATOM 768 CA ASP A 50 11.741 -12.017 -5.364 0.12 0.00 C ATOM 769 C ASP A 50 10.973 -12.110 -4.049 0.96 0.00 C ATOM 770 O ASP A 50 10.529 -13.189 -3.656 1.00 0.00 O ATOM 771 CB ASP A 50 13.217 -12.345 -5.129 0.86 0.00 C ATOM 772 CG ASP A 50 13.921 -11.283 -4.307 0.86 0.00 C ATOM 773 OD1 ASP A 50 13.902 -11.384 -3.063 0.38 0.00 O ATOM 774 OD2 ASP A 50 14.495 -10.350 -4.909 0.42 0.00 O ATOM 0 H ASP A 50 12.365 -10.050 -5.739 0.76 0.00 H new ATOM 0 HA ASP A 50 11.315 -12.743 -6.057 0.12 0.00 H new ATOM 0 HB2 ASP A 50 13.296 -13.306 -4.621 0.86 0.00 H new ATOM 0 HB3 ASP A 50 13.721 -12.450 -6.090 0.86 0.00 H new ATOM 779 N GLY A 51 10.818 -10.977 -3.372 0.28 0.00 N ATOM 780 CA GLY A 51 10.110 -10.962 -2.104 0.84 0.00 C ATOM 781 C GLY A 51 8.683 -10.468 -2.232 0.47 0.00 C ATOM 782 O GLY A 51 8.259 -10.039 -3.305 0.70 0.00 O ATOM 0 H GLY A 51 11.169 -10.070 -3.678 0.28 0.00 H new ATOM 0 HA2 GLY A 51 10.105 -11.968 -1.684 0.84 0.00 H new ATOM 0 HA3 GLY A 51 10.648 -10.326 -1.401 0.84 0.00 H new ATOM 786 N THR A 52 7.941 -10.532 -1.129 0.48 0.00 N ATOM 787 CA THR A 52 6.553 -10.089 -1.112 0.59 0.00 C ATOM 788 C THR A 52 6.271 -9.229 0.116 0.20 0.00 C ATOM 789 O THR A 52 6.884 -9.414 1.167 1.00 0.00 O ATOM 790 CB THR A 52 5.579 -11.282 -1.122 0.10 0.00 C ATOM 791 OG1 THR A 52 5.775 -12.086 0.049 1.00 0.00 O ATOM 792 CG2 THR A 52 5.779 -12.133 -2.367 1.00 0.00 C ATOM 0 H THR A 52 8.280 -10.887 -0.235 0.48 0.00 H new ATOM 0 HA THR A 52 6.398 -9.498 -2.015 0.59 0.00 H new ATOM 0 HB THR A 52 4.561 -10.892 -1.127 0.10 0.00 H new ATOM 0 HG1 THR A 52 5.151 -12.841 0.036 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.080 -12.969 -2.352 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.600 -11.527 -3.255 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.800 -12.514 -2.387 1.00 0.00 H new ATOM 800 N PHE A 53 5.342 -8.287 -0.027 0.06 0.00 N ATOM 801 CA PHE A 53 4.984 -7.395 1.071 1.00 0.00 C ATOM 802 C PHE A 53 3.472 -7.343 1.269 0.24 0.00 C ATOM 803 O PHE A 53 2.726 -7.015 0.346 0.19 0.00 O ATOM 804 CB PHE A 53 5.521 -5.986 0.808 1.00 0.00 C ATOM 805 CG PHE A 53 7.010 -5.873 0.955 0.50 0.00 C ATOM 806 CD1 PHE A 53 7.857 -6.267 -0.070 0.09 0.00 C ATOM 807 CD2 PHE A 53 7.566 -5.375 2.123 0.58 0.00 C ATOM 808 CE1 PHE A 53 9.229 -6.165 0.067 1.00 0.00 C ATOM 809 CE2 PHE A 53 8.936 -5.270 2.265 0.10 0.00 C ATOM 810 CZ PHE A 53 9.769 -5.666 1.237 0.26 0.00 C ATOM 0 H PHE A 53 4.825 -8.122 -0.891 0.06 0.00 H new ATOM 0 HA PHE A 53 5.436 -7.788 1.981 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.240 -5.681 -0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.043 -5.290 1.497 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.440 -6.658 -0.986 0.09 0.00 H new ATOM 0 HD2 PHE A 53 6.920 -5.065 2.932 0.58 0.00 H new ATOM 0 HE1 PHE A 53 9.878 -6.475 -0.739 1.00 0.00 H new ATOM 0 HE2 PHE A 53 9.356 -4.878 3.180 0.10 0.00 H new ATOM 0 HZ PHE A 53 10.840 -5.586 1.347 0.26 0.00 H new ATOM 820 N LYS A 54 3.029 -7.668 2.480 0.93 0.00 N ATOM 821 CA LYS A 54 1.607 -7.651 2.803 0.36 0.00 C ATOM 822 C LYS A 54 1.234 -6.358 3.519 0.10 0.00 C ATOM 823 O LYS A 54 2.040 -5.792 4.257 0.15 0.00 O ATOM 824 CB LYS A 54 1.233 -8.854 3.675 0.06 0.00 C ATOM 825 CG LYS A 54 1.218 -10.178 2.924 0.16 0.00 C ATOM 826 CD LYS A 54 2.623 -10.663 2.593 0.16 0.00 C ATOM 827 CE LYS A 54 3.405 -11.013 3.848 0.09 0.00 C ATOM 828 NZ LYS A 54 4.795 -11.445 3.536 0.13 0.00 N ATOM 0 H LYS A 54 3.634 -7.946 3.253 0.93 0.00 H new ATOM 0 HA LYS A 54 1.050 -7.710 1.868 0.36 0.00 H new ATOM 0 HB2 LYS A 54 1.939 -8.925 4.502 0.06 0.00 H new ATOM 0 HB3 LYS A 54 0.248 -8.683 4.110 0.06 0.00 H new ATOM 0 HG2 LYS A 54 0.707 -10.930 3.526 0.16 0.00 H new ATOM 0 HG3 LYS A 54 0.647 -10.065 2.002 0.16 0.00 H new ATOM 0 HD2 LYS A 54 2.563 -11.538 1.945 0.16 0.00 H new ATOM 0 HD3 LYS A 54 3.154 -9.890 2.037 0.16 0.00 H new ATOM 0 HE2 LYS A 54 3.434 -10.148 4.510 0.09 0.00 H new ATOM 0 HE3 LYS A 54 2.890 -11.809 4.386 0.09 0.00 H new ATOM 0 HZ1 LYS A 54 5.402 -11.285 4.365 0.13 0.00 H new ATOM 0 HZ2 LYS A 54 4.798 -12.456 3.294 0.13 0.00 H new ATOM 0 HZ3 LYS A 54 5.157 -10.895 2.731 0.13 0.00 H new ATOM 842 N LEU A 55 0.012 -5.893 3.293 0.46 0.00 N ATOM 843 CA LEU A 55 -0.464 -4.664 3.914 0.98 0.00 C ATOM 844 C LEU A 55 -1.972 -4.713 4.142 0.40 0.00 C ATOM 845 O LEU A 55 -2.679 -5.503 3.515 0.06 0.00 O ATOM 846 CB LEU A 55 -0.077 -3.439 3.063 1.00 0.00 C ATOM 847 CG LEU A 55 -0.768 -3.284 1.694 0.41 0.00 C ATOM 848 CD1 LEU A 55 -0.823 -4.602 0.936 0.09 0.00 C ATOM 849 CD2 LEU A 55 -2.162 -2.696 1.854 0.05 0.00 C ATOM 0 H LEU A 55 -0.668 -6.349 2.684 0.46 0.00 H new ATOM 0 HA LEU A 55 0.018 -4.569 4.887 0.98 0.00 H new ATOM 0 HB2 LEU A 55 -0.283 -2.543 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.000 -3.471 2.896 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.167 -2.592 1.104 0.41 0.00 H new ATOM 0 HD11 LEU A 55 -1.317 -4.450 -0.023 0.09 0.00 H new ATOM 0 HD12 LEU A 55 0.190 -4.968 0.768 0.09 0.00 H new ATOM 0 HD13 LEU A 55 -1.381 -5.334 1.519 0.09 0.00 H new ATOM 0 HD21 LEU A 55 -2.629 -2.596 0.874 0.05 0.00 H new ATOM 0 HD22 LEU A 55 -2.765 -3.355 2.479 0.05 0.00 H new ATOM 0 HD23 LEU A 55 -2.091 -1.715 2.324 0.05 0.00 H new ATOM 861 N VAL A 56 -2.456 -3.866 5.043 1.00 0.00 N ATOM 862 CA VAL A 56 -3.878 -3.814 5.362 1.00 0.00 C ATOM 863 C VAL A 56 -4.456 -2.425 5.102 1.00 0.00 C ATOM 864 O VAL A 56 -3.827 -1.412 5.409 0.21 0.00 O ATOM 865 CB VAL A 56 -4.132 -4.198 6.834 0.41 0.00 C ATOM 866 CG1 VAL A 56 -3.375 -3.267 7.769 0.33 0.00 C ATOM 867 CG2 VAL A 56 -5.620 -4.185 7.148 0.10 0.00 C ATOM 0 H VAL A 56 -1.883 -3.204 5.567 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.375 -4.533 4.711 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.763 -5.212 6.989 0.41 0.00 H new ATOM 0 HG11 VAL A 56 -3.567 -3.554 8.803 0.33 0.00 H new ATOM 0 HG12 VAL A 56 -2.306 -3.337 7.566 0.33 0.00 H new ATOM 0 HG13 VAL A 56 -3.708 -2.241 7.610 0.33 0.00 H new ATOM 0 HG21 VAL A 56 -5.774 -4.459 8.192 0.10 0.00 H new ATOM 0 HG22 VAL A 56 -6.020 -3.187 6.972 0.10 0.00 H new ATOM 0 HG23 VAL A 56 -6.134 -4.900 6.506 0.10 0.00 H new ATOM 877 N ILE A 57 -5.656 -2.388 4.531 0.88 0.00 N ATOM 878 CA ILE A 57 -6.324 -1.127 4.239 0.14 0.00 C ATOM 879 C ILE A 57 -7.480 -0.903 5.204 0.07 0.00 C ATOM 880 O ILE A 57 -8.499 -1.593 5.139 0.30 0.00 O ATOM 881 CB ILE A 57 -6.862 -1.079 2.793 0.63 0.00 C ATOM 882 CG1 ILE A 57 -5.763 -1.437 1.791 0.11 0.00 C ATOM 883 CG2 ILE A 57 -7.430 0.300 2.487 1.00 0.00 C ATOM 884 CD1 ILE A 57 -5.540 -2.925 1.641 0.10 0.00 C ATOM 0 H ILE A 57 -6.185 -3.218 4.262 0.88 0.00 H new ATOM 0 HA ILE A 57 -5.580 -0.339 4.356 0.14 0.00 H new ATOM 0 HB ILE A 57 -7.660 -1.816 2.700 0.63 0.00 H new ATOM 0 HG12 ILE A 57 -6.019 -1.017 0.818 0.11 0.00 H new ATOM 0 HG13 ILE A 57 -4.830 -0.968 2.105 0.11 0.00 H new ATOM 0 HG21 ILE A 57 -7.806 0.320 1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.245 0.519 3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.647 1.049 2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.747 -3.103 0.915 0.10 0.00 H new ATOM 0 HD12 ILE A 57 -5.252 -3.349 2.603 0.10 0.00 H new ATOM 0 HD13 ILE A 57 -6.460 -3.398 1.297 0.10 0.00 H new ATOM 896 N GLU A 58 -7.318 0.063 6.100 0.96 0.00 N ATOM 897 CA GLU A 58 -8.348 0.369 7.082 1.00 0.00 C ATOM 898 C GLU A 58 -9.303 1.435 6.558 0.07 0.00 C ATOM 899 O GLU A 58 -8.881 2.517 6.151 0.07 0.00 O ATOM 900 CB GLU A 58 -7.710 0.836 8.392 0.06 0.00 C ATOM 901 CG GLU A 58 -6.656 -0.117 8.927 1.00 0.00 C ATOM 902 CD GLU A 58 -6.067 0.346 10.244 0.37 0.00 C ATOM 903 OE1 GLU A 58 -5.080 1.112 10.218 0.11 0.00 O ATOM 904 OE2 GLU A 58 -6.590 -0.059 11.304 0.74 0.00 O ATOM 0 H GLU A 58 -6.484 0.647 6.166 0.96 0.00 H new ATOM 0 HA GLU A 58 -8.918 -0.541 7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.258 1.816 8.237 0.06 0.00 H new ATOM 0 HB3 GLU A 58 -8.490 0.960 9.143 0.06 0.00 H new ATOM 0 HG2 GLU A 58 -7.098 -1.105 9.058 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.858 -0.220 8.192 1.00 0.00 H new ATOM 911 N PHE A 59 -10.593 1.118 6.572 0.94 0.00 N ATOM 912 CA PHE A 59 -11.615 2.045 6.100 0.15 0.00 C ATOM 913 C PHE A 59 -12.399 2.632 7.269 0.65 0.00 C ATOM 914 O PHE A 59 -12.606 1.966 8.284 1.00 0.00 O ATOM 915 CB PHE A 59 -12.569 1.337 5.137 0.10 0.00 C ATOM 916 CG PHE A 59 -11.921 0.915 3.850 0.09 0.00 C ATOM 917 CD1 PHE A 59 -11.781 1.812 2.802 0.26 0.00 C ATOM 918 CD2 PHE A 59 -11.455 -0.379 3.685 0.30 0.00 C ATOM 919 CE1 PHE A 59 -11.186 1.428 1.617 0.41 0.00 C ATOM 920 CE2 PHE A 59 -10.859 -0.771 2.500 0.42 0.00 C ATOM 921 CZ PHE A 59 -10.725 0.134 1.465 0.66 0.00 C ATOM 0 H PHE A 59 -10.956 0.225 6.905 0.94 0.00 H new ATOM 0 HA PHE A 59 -11.116 2.859 5.575 0.15 0.00 H new ATOM 0 HB2 PHE A 59 -12.984 0.458 5.630 0.10 0.00 H new ATOM 0 HB3 PHE A 59 -13.404 2.001 4.913 0.10 0.00 H new ATOM 0 HD1 PHE A 59 -12.142 2.824 2.914 0.26 0.00 H new ATOM 0 HD2 PHE A 59 -11.558 -1.090 4.491 0.30 0.00 H new ATOM 0 HE1 PHE A 59 -11.081 2.138 0.810 0.41 0.00 H new ATOM 0 HE2 PHE A 59 -10.499 -1.783 2.384 0.42 0.00 H new ATOM 0 HZ PHE A 59 -10.261 -0.169 0.538 0.66 0.00 H new ATOM 931 N SER A 60 -12.832 3.879 7.120 1.00 0.00 N ATOM 932 CA SER A 60 -13.592 4.554 8.165 0.05 0.00 C ATOM 933 C SER A 60 -14.994 4.898 7.674 0.54 0.00 C ATOM 934 O SER A 60 -15.155 5.573 6.657 0.77 0.00 O ATOM 935 CB SER A 60 -12.871 5.824 8.616 0.56 0.00 C ATOM 936 OG SER A 60 -11.573 5.529 9.105 0.08 0.00 O ATOM 0 H SER A 60 -12.670 4.443 6.286 1.00 0.00 H new ATOM 0 HA SER A 60 -13.676 3.876 9.014 0.05 0.00 H new ATOM 0 HB2 SER A 60 -12.798 6.521 7.781 0.56 0.00 H new ATOM 0 HB3 SER A 60 -13.452 6.319 9.394 0.56 0.00 H new ATOM 0 HG SER A 60 -11.133 6.358 9.385 0.08 0.00 H new ATOM 942 N GLU A 61 -16.003 4.426 8.400 1.00 0.00 N ATOM 943 CA GLU A 61 -17.391 4.688 8.036 0.80 0.00 C ATOM 944 C GLU A 61 -17.685 6.183 8.080 0.42 0.00 C ATOM 945 O GLU A 61 -18.119 6.710 9.104 1.00 0.00 O ATOM 946 CB GLU A 61 -18.338 3.938 8.975 1.00 0.00 C ATOM 947 CG GLU A 61 -18.170 2.428 8.928 0.21 0.00 C ATOM 948 CD GLU A 61 -18.491 1.848 7.563 1.00 0.00 C ATOM 949 OE1 GLU A 61 -19.673 1.529 7.317 0.47 0.00 O ATOM 950 OE2 GLU A 61 -17.560 1.711 6.742 0.13 0.00 O ATOM 0 H GLU A 61 -15.886 3.862 9.242 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.550 4.333 7.018 0.80 0.00 H new ATOM 0 HB2 GLU A 61 -18.172 4.282 9.996 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -19.367 4.189 8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.145 2.172 9.196 0.21 0.00 H new ATOM 0 HG3 GLU A 61 -18.819 1.970 9.675 0.21 0.00 H new ATOM 957 N GLU A 62 -17.440 6.860 6.962 0.23 0.00 N ATOM 958 CA GLU A 62 -17.667 8.298 6.870 0.13 0.00 C ATOM 959 C GLU A 62 -18.383 8.657 5.569 0.05 0.00 C ATOM 960 O GLU A 62 -19.593 8.880 5.558 1.00 0.00 O ATOM 961 CB GLU A 62 -16.336 9.046 6.962 0.90 0.00 C ATOM 962 CG GLU A 62 -15.640 8.892 8.305 0.08 0.00 C ATOM 963 CD GLU A 62 -16.387 9.578 9.433 0.06 0.00 C ATOM 964 OE1 GLU A 62 -16.224 10.807 9.591 1.00 0.00 O ATOM 965 OE2 GLU A 62 -17.134 8.889 10.159 1.00 0.00 O ATOM 0 H GLU A 62 -17.084 6.435 6.106 0.23 0.00 H new ATOM 0 HA GLU A 62 -18.304 8.597 7.702 0.13 0.00 H new ATOM 0 HB2 GLU A 62 -15.672 8.687 6.176 0.90 0.00 H new ATOM 0 HB3 GLU A 62 -16.511 10.105 6.773 0.90 0.00 H new ATOM 0 HG2 GLU A 62 -15.535 7.832 8.536 0.08 0.00 H new ATOM 0 HG3 GLU A 62 -14.633 9.305 8.237 0.08 0.00 H new ATOM 972 N TYR A 63 -17.627 8.712 4.476 0.19 0.00 N ATOM 973 CA TYR A 63 -18.187 9.045 3.169 0.43 0.00 C ATOM 974 C TYR A 63 -17.484 8.262 2.060 0.62 0.00 C ATOM 975 O TYR A 63 -16.353 7.810 2.236 0.10 0.00 O ATOM 976 CB TYR A 63 -18.057 10.546 2.906 1.00 0.00 C ATOM 977 CG TYR A 63 -18.841 11.407 3.870 0.35 0.00 C ATOM 978 CD1 TYR A 63 -20.199 11.633 3.681 0.12 0.00 C ATOM 979 CD2 TYR A 63 -18.225 11.990 4.969 1.00 0.00 C ATOM 980 CE1 TYR A 63 -20.919 12.420 4.560 0.36 0.00 C ATOM 981 CE2 TYR A 63 -18.939 12.776 5.854 1.00 0.00 C ATOM 982 CZ TYR A 63 -20.286 12.988 5.645 1.00 0.00 C ATOM 983 OH TYR A 63 -21.000 13.771 6.523 0.46 0.00 O ATOM 0 H TYR A 63 -16.623 8.530 4.469 0.19 0.00 H new ATOM 0 HA TYR A 63 -19.242 8.771 3.172 0.43 0.00 H new ATOM 0 HB2 TYR A 63 -17.004 10.824 2.959 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -18.392 10.757 1.890 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -20.700 11.187 2.834 0.12 0.00 H new ATOM 0 HD2 TYR A 63 -17.170 11.827 5.135 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -21.973 12.589 4.397 0.36 0.00 H new ATOM 0 HE2 TYR A 63 -18.445 13.222 6.705 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.405 14.093 7.232 0.46 0.00 H new ATOM 993 N PRO A 64 -18.145 8.091 0.897 0.05 0.00 N ATOM 994 CA PRO A 64 -17.567 7.360 -0.235 0.63 0.00 C ATOM 995 C PRO A 64 -16.434 8.131 -0.909 0.10 0.00 C ATOM 996 O PRO A 64 -15.895 7.695 -1.926 0.28 0.00 O ATOM 997 CB PRO A 64 -18.745 7.198 -1.195 1.00 0.00 C ATOM 998 CG PRO A 64 -19.647 8.342 -0.881 0.20 0.00 C ATOM 999 CD PRO A 64 -19.504 8.587 0.596 0.09 0.00 C ATOM 0 HA PRO A 64 -17.122 6.416 0.078 0.63 0.00 H new ATOM 0 HB2 PRO A 64 -18.416 7.226 -2.234 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -19.249 6.243 -1.046 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -19.368 9.227 -1.452 0.20 0.00 H new ATOM 0 HG3 PRO A 64 -20.680 8.108 -1.140 0.20 0.00 H new ATOM 0 HD2 PRO A 64 -19.609 9.644 0.840 0.09 0.00 H new ATOM 0 HD3 PRO A 64 -20.263 8.052 1.167 0.09 0.00 H new ATOM 1007 N ASN A 65 -16.078 9.277 -0.335 0.07 0.00 N ATOM 1008 CA ASN A 65 -15.007 10.106 -0.878 0.14 0.00 C ATOM 1009 C ASN A 65 -13.974 10.425 0.201 1.00 0.00 C ATOM 1010 O ASN A 65 -12.953 11.058 -0.069 0.65 0.00 O ATOM 1011 CB ASN A 65 -15.580 11.400 -1.457 0.42 0.00 C ATOM 1012 CG ASN A 65 -14.529 12.237 -2.161 0.28 0.00 C ATOM 1013 OD1 ASN A 65 -13.565 11.708 -2.714 0.35 0.00 O ATOM 1014 ND2 ASN A 65 -14.711 13.552 -2.143 1.00 0.00 N ATOM 0 H ASN A 65 -16.516 9.652 0.506 0.07 0.00 H new ATOM 0 HA ASN A 65 -14.514 9.551 -1.676 0.14 0.00 H new ATOM 0 HB2 ASN A 65 -16.377 11.158 -2.160 0.42 0.00 H new ATOM 0 HB3 ASN A 65 -16.029 11.986 -0.655 0.42 0.00 H new ATOM 0 HD21 ASN A 65 -14.037 14.166 -2.600 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.525 13.948 -1.673 1.00 0.00 H new ATOM 1021 N LYS A 66 -14.250 9.981 1.422 0.58 0.00 N ATOM 1022 CA LYS A 66 -13.353 10.214 2.549 0.63 0.00 C ATOM 1023 C LYS A 66 -12.023 9.484 2.344 0.72 0.00 C ATOM 1024 O LYS A 66 -12.010 8.291 2.043 0.24 0.00 O ATOM 1025 CB LYS A 66 -14.012 9.742 3.847 0.05 0.00 C ATOM 1026 CG LYS A 66 -13.255 10.138 5.104 0.67 0.00 C ATOM 1027 CD LYS A 66 -13.411 11.620 5.405 1.00 0.00 C ATOM 1028 CE LYS A 66 -12.748 11.992 6.722 0.20 0.00 C ATOM 1029 NZ LYS A 66 -11.279 11.757 6.691 0.69 0.00 N ATOM 0 H LYS A 66 -15.092 9.455 1.658 0.58 0.00 H new ATOM 0 HA LYS A 66 -13.153 11.283 2.615 0.63 0.00 H new ATOM 0 HB2 LYS A 66 -15.021 10.150 3.899 0.05 0.00 H new ATOM 0 HB3 LYS A 66 -14.108 8.657 3.820 0.05 0.00 H new ATOM 0 HG2 LYS A 66 -13.620 9.554 5.949 0.67 0.00 H new ATOM 0 HG3 LYS A 66 -12.198 9.899 4.984 0.67 0.00 H new ATOM 0 HD2 LYS A 66 -12.972 12.205 4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.470 11.875 5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.943 13.042 6.943 0.20 0.00 H new ATOM 0 HE3 LYS A 66 -13.192 11.409 7.529 0.20 0.00 H new ATOM 0 HZ1 LYS A 66 -10.847 12.147 7.553 0.69 0.00 H new ATOM 0 HZ2 LYS A 66 -11.092 10.735 6.642 0.69 0.00 H new ATOM 0 HZ3 LYS A 66 -10.870 12.224 5.857 0.69 0.00 H new ATOM 1043 N PRO A 67 -10.881 10.187 2.504 1.00 0.00 N ATOM 1044 CA PRO A 67 -9.554 9.584 2.331 0.22 0.00 C ATOM 1045 C PRO A 67 -9.310 8.425 3.299 0.07 0.00 C ATOM 1046 O PRO A 67 -9.230 8.632 4.510 0.32 0.00 O ATOM 1047 CB PRO A 67 -8.582 10.734 2.625 0.40 0.00 C ATOM 1048 CG PRO A 67 -9.384 11.747 3.367 0.27 0.00 C ATOM 1049 CD PRO A 67 -10.791 11.613 2.862 1.00 0.00 C ATOM 0 HA PRO A 67 -9.437 9.158 1.335 0.22 0.00 H new ATOM 0 HB2 PRO A 67 -7.735 10.391 3.219 0.40 0.00 H new ATOM 0 HB3 PRO A 67 -8.177 11.152 1.703 0.40 0.00 H new ATOM 0 HG2 PRO A 67 -9.337 11.571 4.442 0.27 0.00 H new ATOM 0 HG3 PRO A 67 -9.001 12.752 3.192 0.27 0.00 H new ATOM 0 HD2 PRO A 67 -11.521 11.884 3.625 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.974 12.257 2.002 1.00 0.00 H new ATOM 1057 N PRO A 68 -9.193 7.185 2.781 0.32 0.00 N ATOM 1058 CA PRO A 68 -8.959 5.999 3.614 0.42 0.00 C ATOM 1059 C PRO A 68 -7.585 6.016 4.277 1.00 0.00 C ATOM 1060 O PRO A 68 -6.802 6.946 4.085 1.00 0.00 O ATOM 1061 CB PRO A 68 -9.052 4.826 2.626 0.15 0.00 C ATOM 1062 CG PRO A 68 -9.687 5.390 1.399 0.15 0.00 C ATOM 1063 CD PRO A 68 -9.287 6.834 1.356 0.80 0.00 C ATOM 0 HA PRO A 68 -9.677 5.940 4.432 0.42 0.00 H new ATOM 0 HB2 PRO A 68 -8.065 4.419 2.406 0.15 0.00 H new ATOM 0 HB3 PRO A 68 -9.648 4.012 3.038 0.15 0.00 H new ATOM 0 HG2 PRO A 68 -9.348 4.864 0.507 0.15 0.00 H new ATOM 0 HG3 PRO A 68 -10.771 5.286 1.437 0.15 0.00 H new ATOM 0 HD2 PRO A 68 -8.337 6.976 0.840 0.80 0.00 H new ATOM 0 HD3 PRO A 68 -10.026 7.444 0.836 0.80 0.00 H new ATOM 1071 N THR A 69 -7.302 4.976 5.057 0.08 0.00 N ATOM 1072 CA THR A 69 -6.024 4.858 5.748 0.12 0.00 C ATOM 1073 C THR A 69 -5.409 3.485 5.506 1.00 0.00 C ATOM 1074 O THR A 69 -5.986 2.465 5.877 0.24 0.00 O ATOM 1075 CB THR A 69 -6.179 5.074 7.265 0.70 0.00 C ATOM 1076 OG1 THR A 69 -6.880 6.298 7.517 0.37 0.00 O ATOM 1077 CG2 THR A 69 -4.820 5.115 7.947 0.07 0.00 C ATOM 0 H THR A 69 -7.944 4.201 5.226 0.08 0.00 H new ATOM 0 HA THR A 69 -5.370 5.633 5.347 0.12 0.00 H new ATOM 0 HB THR A 69 -6.748 4.238 7.672 0.70 0.00 H new ATOM 0 HG1 THR A 69 -6.976 6.427 8.484 0.37 0.00 H new ATOM 0 HG21 THR A 69 -4.955 5.268 9.018 0.07 0.00 H new ATOM 0 HG22 THR A 69 -4.300 4.172 7.778 0.07 0.00 H new ATOM 0 HG23 THR A 69 -4.230 5.934 7.534 0.07 0.00 H new ATOM 1085 N VAL A 70 -4.233 3.465 4.888 0.44 0.00 N ATOM 1086 CA VAL A 70 -3.552 2.211 4.593 0.13 0.00 C ATOM 1087 C VAL A 70 -2.163 2.166 5.226 0.13 0.00 C ATOM 1088 O VAL A 70 -1.497 3.193 5.359 0.22 0.00 O ATOM 1089 CB VAL A 70 -3.425 1.992 3.073 0.30 0.00 C ATOM 1090 CG1 VAL A 70 -2.574 3.082 2.438 0.67 0.00 C ATOM 1091 CG2 VAL A 70 -2.850 0.615 2.779 0.46 0.00 C ATOM 0 H VAL A 70 -3.733 4.300 4.583 0.44 0.00 H new ATOM 0 HA VAL A 70 -4.159 1.413 5.021 0.13 0.00 H new ATOM 0 HB VAL A 70 -4.422 2.047 2.635 0.30 0.00 H new ATOM 0 HG11 VAL A 70 -2.499 2.906 1.365 0.67 0.00 H new ATOM 0 HG12 VAL A 70 -3.036 4.053 2.615 0.67 0.00 H new ATOM 0 HG13 VAL A 70 -1.577 3.068 2.879 0.67 0.00 H new ATOM 0 HG21 VAL A 70 -2.767 0.478 1.701 0.46 0.00 H new ATOM 0 HG22 VAL A 70 -1.863 0.529 3.232 0.46 0.00 H new ATOM 0 HG23 VAL A 70 -3.507 -0.150 3.193 0.46 0.00 H new ATOM 1101 N ARG A 71 -1.737 0.967 5.617 0.33 0.00 N ATOM 1102 CA ARG A 71 -0.429 0.779 6.234 0.08 0.00 C ATOM 1103 C ARG A 71 0.000 -0.685 6.159 0.42 0.00 C ATOM 1104 O ARG A 71 -0.832 -1.589 6.214 1.00 0.00 O ATOM 1105 CB ARG A 71 -0.455 1.244 7.693 0.15 0.00 C ATOM 1106 CG ARG A 71 -1.411 0.453 8.573 0.29 0.00 C ATOM 1107 CD ARG A 71 -1.416 0.983 9.999 0.26 0.00 C ATOM 1108 NE ARG A 71 -2.261 0.179 10.878 0.85 0.00 N ATOM 1109 CZ ARG A 71 -2.566 0.525 12.126 0.10 0.00 C ATOM 1110 NH1 ARG A 71 -2.098 1.655 12.639 0.53 0.00 N ATOM 1111 NH2 ARG A 71 -3.339 -0.261 12.862 0.14 0.00 N ATOM 0 H ARG A 71 -2.281 0.110 5.517 0.33 0.00 H new ATOM 0 HA ARG A 71 0.295 1.381 5.684 0.08 0.00 H new ATOM 0 HB2 ARG A 71 0.551 1.169 8.106 0.15 0.00 H new ATOM 0 HB3 ARG A 71 -0.735 2.297 7.724 0.15 0.00 H new ATOM 0 HG2 ARG A 71 -2.418 0.506 8.159 0.29 0.00 H new ATOM 0 HG3 ARG A 71 -1.122 -0.598 8.574 0.29 0.00 H new ATOM 0 HD2 ARG A 71 -0.397 0.993 10.386 0.26 0.00 H new ATOM 0 HD3 ARG A 71 -1.768 2.015 10.001 0.26 0.00 H new ATOM 0 HE ARG A 71 -2.638 -0.696 10.515 0.85 0.00 H new ATOM 0 HH11 ARG A 71 -1.502 2.262 12.076 0.53 0.00 H new ATOM 0 HH12 ARG A 71 -2.334 1.917 13.596 0.53 0.00 H new ATOM 0 HH21 ARG A 71 -3.700 -1.131 12.472 0.14 0.00 H new ATOM 0 HH22 ARG A 71 -3.573 0.005 13.819 0.14 0.00 H new ATOM 1125 N PHE A 72 1.305 -0.911 6.030 1.00 0.00 N ATOM 1126 CA PHE A 72 1.845 -2.263 5.944 1.00 0.00 C ATOM 1127 C PHE A 72 1.736 -2.987 7.284 0.51 0.00 C ATOM 1128 O PHE A 72 1.748 -2.359 8.344 0.16 0.00 O ATOM 1129 CB PHE A 72 3.309 -2.228 5.497 1.00 0.00 C ATOM 1130 CG PHE A 72 3.491 -1.982 4.025 0.63 0.00 C ATOM 1131 CD1 PHE A 72 3.376 -0.705 3.503 1.00 0.00 C ATOM 1132 CD2 PHE A 72 3.782 -3.031 3.167 0.21 0.00 C ATOM 1133 CE1 PHE A 72 3.548 -0.478 2.150 0.25 0.00 C ATOM 1134 CE2 PHE A 72 3.953 -2.809 1.814 1.00 0.00 C ATOM 1135 CZ PHE A 72 3.837 -1.531 1.304 1.00 0.00 C ATOM 0 H PHE A 72 2.008 -0.173 5.983 1.00 0.00 H new ATOM 0 HA PHE A 72 1.256 -2.808 5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.830 -1.448 6.053 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.781 -3.175 5.758 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.150 0.122 4.159 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.876 -4.032 3.560 0.21 0.00 H new ATOM 0 HE1 PHE A 72 3.456 0.523 1.755 0.25 0.00 H new ATOM 0 HE2 PHE A 72 4.177 -3.635 1.155 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.972 -1.355 0.247 1.00 0.00 H new ATOM 1145 N LEU A 73 1.628 -4.312 7.227 0.17 0.00 N ATOM 1146 CA LEU A 73 1.526 -5.125 8.432 1.00 0.00 C ATOM 1147 C LEU A 73 2.912 -5.472 8.962 0.90 0.00 C ATOM 1148 O LEU A 73 3.143 -5.474 10.172 1.00 0.00 O ATOM 1149 CB LEU A 73 0.744 -6.411 8.149 0.81 0.00 C ATOM 1150 CG LEU A 73 -0.762 -6.228 7.940 0.40 0.00 C ATOM 1151 CD1 LEU A 73 -1.395 -7.528 7.470 0.10 0.00 C ATOM 1152 CD2 LEU A 73 -1.424 -5.749 9.223 1.00 0.00 C ATOM 0 H LEU A 73 1.609 -4.844 6.357 0.17 0.00 H new ATOM 0 HA LEU A 73 0.993 -4.546 9.186 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.163 -6.883 7.260 0.81 0.00 H new ATOM 0 HB3 LEU A 73 0.898 -7.101 8.979 0.81 0.00 H new ATOM 0 HG LEU A 73 -0.913 -5.471 7.170 0.40 0.00 H new ATOM 0 HD11 LEU A 73 -2.465 -7.380 7.326 0.10 0.00 H new ATOM 0 HD12 LEU A 73 -0.941 -7.834 6.527 0.10 0.00 H new ATOM 0 HD13 LEU A 73 -1.233 -8.303 8.219 0.10 0.00 H new ATOM 0 HD21 LEU A 73 -2.494 -5.624 9.056 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.263 -6.484 10.012 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.990 -4.795 9.522 1.00 0.00 H new ATOM 1164 N SER A 74 3.828 -5.765 8.047 0.39 0.00 N ATOM 1165 CA SER A 74 5.195 -6.112 8.415 0.98 0.00 C ATOM 1166 C SER A 74 6.086 -4.873 8.416 0.38 0.00 C ATOM 1167 O SER A 74 5.724 -3.836 7.860 1.00 0.00 O ATOM 1168 CB SER A 74 5.756 -7.157 7.448 1.00 0.00 C ATOM 1169 OG SER A 74 4.952 -8.324 7.438 0.59 0.00 O ATOM 0 H SER A 74 3.648 -5.769 7.043 0.39 0.00 H new ATOM 0 HA SER A 74 5.181 -6.530 9.422 0.98 0.00 H new ATOM 0 HB2 SER A 74 5.807 -6.738 6.443 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.775 -7.415 7.737 1.00 0.00 H new ATOM 0 HG SER A 74 5.330 -8.976 6.812 0.59 0.00 H new ATOM 1175 N LYS A 75 7.251 -4.991 9.042 0.24 0.00 N ATOM 1176 CA LYS A 75 8.193 -3.882 9.119 0.47 0.00 C ATOM 1177 C LYS A 75 8.853 -3.630 7.765 0.08 0.00 C ATOM 1178 O LYS A 75 9.551 -4.494 7.233 0.13 0.00 O ATOM 1179 CB LYS A 75 9.261 -4.173 10.175 0.23 0.00 C ATOM 1180 CG LYS A 75 10.104 -2.960 10.535 0.11 0.00 C ATOM 1181 CD LYS A 75 11.581 -3.307 10.577 1.00 0.00 C ATOM 1182 CE LYS A 75 12.109 -3.643 9.192 0.05 0.00 C ATOM 1183 NZ LYS A 75 13.576 -3.894 9.200 0.34 0.00 N ATOM 0 H LYS A 75 7.566 -5.844 9.504 0.24 0.00 H new ATOM 0 HA LYS A 75 7.642 -2.986 9.403 0.47 0.00 H new ATOM 0 HB2 LYS A 75 8.777 -4.549 11.076 0.23 0.00 H new ATOM 0 HB3 LYS A 75 9.915 -4.965 9.810 0.23 0.00 H new ATOM 0 HG2 LYS A 75 9.935 -2.168 9.806 0.11 0.00 H new ATOM 0 HG3 LYS A 75 9.792 -2.572 11.505 0.11 0.00 H new ATOM 0 HD2 LYS A 75 12.142 -2.468 10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.739 -4.154 11.244 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.593 -4.524 8.811 0.05 0.00 H new ATOM 0 HE3 LYS A 75 11.885 -2.823 8.510 0.05 0.00 H new ATOM 0 HZ1 LYS A 75 13.895 -4.119 8.236 0.34 0.00 H new ATOM 0 HZ2 LYS A 75 14.072 -3.045 9.539 0.34 0.00 H new ATOM 0 HZ3 LYS A 75 13.788 -4.693 9.831 0.34 0.00 H new ATOM 1197 N MET A 76 8.623 -2.441 7.214 0.41 0.00 N ATOM 1198 CA MET A 76 9.192 -2.070 5.923 0.44 0.00 C ATOM 1199 C MET A 76 10.097 -0.849 6.052 1.00 0.00 C ATOM 1200 O MET A 76 10.040 -0.121 7.043 1.00 0.00 O ATOM 1201 CB MET A 76 8.079 -1.795 4.908 1.00 0.00 C ATOM 1202 CG MET A 76 6.815 -1.212 5.521 0.22 0.00 C ATOM 1203 SD MET A 76 7.105 0.352 6.371 0.53 0.00 S ATOM 1204 CE MET A 76 7.625 1.389 5.007 1.00 0.00 C ATOM 0 H MET A 76 8.046 -1.718 7.643 0.41 0.00 H new ATOM 0 HA MET A 76 9.795 -2.906 5.570 0.44 0.00 H new ATOM 0 HB2 MET A 76 8.454 -1.107 4.150 1.00 0.00 H new ATOM 0 HB3 MET A 76 7.828 -2.725 4.398 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.073 -1.062 4.737 0.22 0.00 H new ATOM 0 HG3 MET A 76 6.394 -1.930 6.225 0.22 0.00 H new ATOM 0 HE1 MET A 76 7.173 2.376 5.107 1.00 0.00 H new ATOM 0 HE2 MET A 76 8.711 1.484 5.016 1.00 0.00 H new ATOM 0 HE3 MET A 76 7.308 0.939 4.066 1.00 0.00 H new ATOM 1214 N PHE A 77 10.935 -0.634 5.042 0.12 0.00 N ATOM 1215 CA PHE A 77 11.858 0.496 5.039 0.30 0.00 C ATOM 1216 C PHE A 77 11.939 1.124 3.650 1.00 0.00 C ATOM 1217 O PHE A 77 12.484 0.530 2.719 0.10 0.00 O ATOM 1218 CB PHE A 77 13.247 0.042 5.493 0.76 0.00 C ATOM 1219 CG PHE A 77 14.259 1.151 5.543 1.00 0.00 C ATOM 1220 CD1 PHE A 77 14.186 2.128 6.523 0.98 0.00 C ATOM 1221 CD2 PHE A 77 15.283 1.215 4.612 0.81 0.00 C ATOM 1222 CE1 PHE A 77 15.115 3.150 6.573 0.68 0.00 C ATOM 1223 CE2 PHE A 77 16.215 2.235 4.656 0.45 0.00 C ATOM 1224 CZ PHE A 77 16.132 3.204 5.639 0.10 0.00 C ATOM 0 H PHE A 77 10.994 -1.228 4.215 0.12 0.00 H new ATOM 0 HA PHE A 77 11.484 1.247 5.735 0.30 0.00 H new ATOM 0 HB2 PHE A 77 13.167 -0.409 6.482 0.76 0.00 H new ATOM 0 HB3 PHE A 77 13.605 -0.734 4.817 0.76 0.00 H new ATOM 0 HD1 PHE A 77 13.394 2.090 7.256 0.98 0.00 H new ATOM 0 HD2 PHE A 77 15.354 0.460 3.843 0.81 0.00 H new ATOM 0 HE1 PHE A 77 15.046 3.906 7.341 0.68 0.00 H new ATOM 0 HE2 PHE A 77 17.007 2.275 3.923 0.45 0.00 H new ATOM 0 HZ PHE A 77 16.860 4.001 5.677 0.10 0.00 H new ATOM 1234 N HIS A 78 11.393 2.328 3.521 0.12 0.00 N ATOM 1235 CA HIS A 78 11.399 3.042 2.248 0.07 0.00 C ATOM 1236 C HIS A 78 11.963 4.454 2.413 0.23 0.00 C ATOM 1237 O HIS A 78 11.974 4.995 3.520 1.00 0.00 O ATOM 1238 CB HIS A 78 9.982 3.100 1.671 1.00 0.00 C ATOM 1239 CG HIS A 78 9.514 1.794 1.104 0.11 0.00 C ATOM 1240 ND1 HIS A 78 9.461 1.519 -0.244 1.00 0.00 N ATOM 1241 CD2 HIS A 78 9.068 0.676 1.732 0.60 0.00 C ATOM 1242 CE1 HIS A 78 8.995 0.273 -0.391 0.06 0.00 C ATOM 1243 NE2 HIS A 78 8.742 -0.284 0.777 1.00 0.00 N ATOM 0 H HIS A 78 10.940 2.831 4.283 0.12 0.00 H new ATOM 0 HA HIS A 78 12.043 2.500 1.555 0.07 0.00 H new ATOM 0 HB2 HIS A 78 9.292 3.415 2.454 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.947 3.860 0.890 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.980 0.551 2.801 0.60 0.00 H new ATOM 0 HE1 HIS A 78 8.845 -0.214 -1.344 0.06 0.00 H new ATOM 0 HE2 HIS A 78 8.382 -1.223 0.946 1.00 0.00 H new ATOM 1251 N PRO A 79 12.439 5.072 1.313 0.43 0.00 N ATOM 1252 CA PRO A 79 13.009 6.425 1.348 0.06 0.00 C ATOM 1253 C PRO A 79 12.025 7.467 1.870 0.10 0.00 C ATOM 1254 O PRO A 79 12.421 8.563 2.264 0.17 0.00 O ATOM 1255 CB PRO A 79 13.360 6.715 -0.118 0.37 0.00 C ATOM 1256 CG PRO A 79 12.568 5.731 -0.910 0.11 0.00 C ATOM 1257 CD PRO A 79 12.460 4.510 -0.048 1.00 0.00 C ATOM 0 HA PRO A 79 13.863 6.477 2.024 0.06 0.00 H new ATOM 0 HB2 PRO A 79 13.102 7.739 -0.390 0.37 0.00 H new ATOM 0 HB3 PRO A 79 14.429 6.597 -0.298 0.37 0.00 H new ATOM 0 HG2 PRO A 79 11.582 6.127 -1.153 0.11 0.00 H new ATOM 0 HG3 PRO A 79 13.061 5.501 -1.855 0.11 0.00 H new ATOM 0 HD2 PRO A 79 11.556 3.941 -0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.304 3.836 -0.194 1.00 0.00 H new ATOM 1265 N ASN A 80 10.741 7.119 1.872 0.61 0.00 N ATOM 1266 CA ASN A 80 9.708 8.031 2.346 0.13 0.00 C ATOM 1267 C ASN A 80 8.585 7.276 3.052 0.14 0.00 C ATOM 1268 O ASN A 80 7.930 6.419 2.457 0.08 0.00 O ATOM 1269 CB ASN A 80 9.142 8.846 1.179 1.00 0.00 C ATOM 1270 CG ASN A 80 8.604 7.969 0.066 0.75 0.00 C ATOM 1271 OD1 ASN A 80 7.433 7.590 0.068 1.00 0.00 O ATOM 1272 ND2 ASN A 80 9.459 7.643 -0.898 0.36 0.00 N ATOM 0 H ASN A 80 10.393 6.215 1.552 0.61 0.00 H new ATOM 0 HA ASN A 80 10.165 8.710 3.066 0.13 0.00 H new ATOM 0 HB2 ASN A 80 8.345 9.493 1.545 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.922 9.495 0.781 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.153 7.057 -1.675 0.36 0.00 H new ATOM 0 HD22 ASN A 80 10.421 7.979 -0.861 0.36 0.00 H new ATOM 1279 N VAL A 81 8.371 7.600 4.323 0.30 0.00 N ATOM 1280 CA VAL A 81 7.326 6.959 5.114 0.86 0.00 C ATOM 1281 C VAL A 81 6.848 7.881 6.233 0.48 0.00 C ATOM 1282 O VAL A 81 7.605 8.721 6.721 0.79 0.00 O ATOM 1283 CB VAL A 81 7.818 5.629 5.723 0.44 0.00 C ATOM 1284 CG1 VAL A 81 8.893 5.881 6.771 1.00 0.00 C ATOM 1285 CG2 VAL A 81 6.656 4.848 6.316 0.05 0.00 C ATOM 0 H VAL A 81 8.909 8.304 4.828 0.30 0.00 H new ATOM 0 HA VAL A 81 6.495 6.750 4.440 0.86 0.00 H new ATOM 0 HB VAL A 81 8.258 5.030 4.925 0.44 0.00 H new ATOM 0 HG11 VAL A 81 9.225 4.930 7.187 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.739 6.391 6.309 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.486 6.503 7.568 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.024 3.914 6.740 0.05 0.00 H new ATOM 0 HG22 VAL A 81 6.182 5.440 7.099 0.05 0.00 H new ATOM 0 HG23 VAL A 81 5.928 4.630 5.535 0.05 0.00 H new ATOM 1295 N TYR A 82 5.591 7.723 6.633 0.06 0.00 N ATOM 1296 CA TYR A 82 5.020 8.542 7.696 0.09 0.00 C ATOM 1297 C TYR A 82 5.299 7.931 9.066 0.08 0.00 C ATOM 1298 O TYR A 82 5.788 6.806 9.168 0.99 0.00 O ATOM 1299 CB TYR A 82 3.514 8.706 7.496 1.00 0.00 C ATOM 1300 CG TYR A 82 3.148 9.582 6.319 0.24 0.00 C ATOM 1301 CD1 TYR A 82 3.356 10.954 6.360 0.66 0.00 C ATOM 1302 CD2 TYR A 82 2.592 9.037 5.168 0.42 0.00 C ATOM 1303 CE1 TYR A 82 3.019 11.760 5.289 0.94 0.00 C ATOM 1304 CE2 TYR A 82 2.254 9.835 4.091 1.00 0.00 C ATOM 1305 CZ TYR A 82 2.469 11.196 4.158 1.00 0.00 C ATOM 1306 OH TYR A 82 2.134 11.995 3.088 0.08 0.00 O ATOM 0 H TYR A 82 4.949 7.036 6.238 0.06 0.00 H new ATOM 0 HA TYR A 82 5.492 9.523 7.652 0.09 0.00 H new ATOM 0 HB2 TYR A 82 3.066 7.722 7.358 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.080 9.130 8.402 1.00 0.00 H new ATOM 0 HD1 TYR A 82 3.789 11.399 7.244 0.66 0.00 H new ATOM 0 HD2 TYR A 82 2.421 7.972 5.114 0.42 0.00 H new ATOM 0 HE1 TYR A 82 3.186 12.826 5.338 0.94 0.00 H new ATOM 0 HE2 TYR A 82 1.824 9.396 3.203 1.00 0.00 H new ATOM 0 HH TYR A 82 1.759 11.442 2.371 0.08 0.00 H new ATOM 1316 N ALA A 83 4.979 8.681 10.116 0.57 0.00 N ATOM 1317 CA ALA A 83 5.194 8.217 11.481 0.11 0.00 C ATOM 1318 C ALA A 83 4.251 7.068 11.824 1.00 0.00 C ATOM 1319 O ALA A 83 4.561 6.231 12.672 1.00 0.00 O ATOM 1320 CB ALA A 83 5.010 9.364 12.462 0.07 0.00 C ATOM 0 H ALA A 83 4.570 9.613 10.047 0.57 0.00 H new ATOM 0 HA ALA A 83 6.217 7.848 11.558 0.11 0.00 H new ATOM 0 HB1 ALA A 83 5.173 9.004 13.478 0.07 0.00 H new ATOM 0 HB2 ALA A 83 5.727 10.154 12.237 0.07 0.00 H new ATOM 0 HB3 ALA A 83 3.997 9.758 12.375 0.07 0.00 H new ATOM 1326 N ASP A 84 3.101 7.036 11.159 1.00 0.00 N ATOM 1327 CA ASP A 84 2.112 5.989 11.390 1.00 0.00 C ATOM 1328 C ASP A 84 2.390 4.779 10.504 0.75 0.00 C ATOM 1329 O ASP A 84 1.632 3.808 10.506 0.05 0.00 O ATOM 1330 CB ASP A 84 0.702 6.520 11.118 0.20 0.00 C ATOM 1331 CG ASP A 84 0.342 7.687 12.014 1.00 0.00 C ATOM 1332 OD1 ASP A 84 0.728 8.829 11.687 1.00 0.00 O ATOM 1333 OD2 ASP A 84 -0.330 7.460 13.043 0.14 0.00 O ATOM 0 H ASP A 84 2.831 7.723 10.455 1.00 0.00 H new ATOM 0 HA ASP A 84 2.181 5.680 12.433 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.628 6.829 10.075 0.20 0.00 H new ATOM 0 HB3 ASP A 84 -0.020 5.717 11.264 0.20 0.00 H new ATOM 1338 N GLY A 85 3.483 4.844 9.751 0.99 0.00 N ATOM 1339 CA GLY A 85 3.844 3.751 8.867 0.45 0.00 C ATOM 1340 C GLY A 85 3.052 3.767 7.575 0.21 0.00 C ATOM 1341 O GLY A 85 3.180 2.864 6.749 0.12 0.00 O ATOM 0 H GLY A 85 4.126 5.635 9.737 0.99 0.00 H new ATOM 0 HA2 GLY A 85 4.908 3.809 8.638 0.45 0.00 H new ATOM 0 HA3 GLY A 85 3.679 2.803 9.379 0.45 0.00 H new ATOM 1345 N SER A 86 2.229 4.798 7.400 0.05 0.00 N ATOM 1346 CA SER A 86 1.412 4.932 6.200 0.24 0.00 C ATOM 1347 C SER A 86 2.288 5.125 4.967 0.18 0.00 C ATOM 1348 O SER A 86 3.495 5.343 5.078 0.27 0.00 O ATOM 1349 CB SER A 86 0.443 6.108 6.343 0.34 0.00 C ATOM 1350 OG SER A 86 -0.378 6.237 5.195 1.00 0.00 O ATOM 0 H SER A 86 2.111 5.553 8.076 0.05 0.00 H new ATOM 0 HA SER A 86 0.838 4.014 6.077 0.24 0.00 H new ATOM 0 HB2 SER A 86 -0.181 5.964 7.225 0.34 0.00 H new ATOM 0 HB3 SER A 86 1.005 7.029 6.497 0.34 0.00 H new ATOM 0 HG SER A 86 -0.858 5.397 5.040 1.00 0.00 H new ATOM 1356 N ILE A 87 1.673 5.045 3.790 1.00 0.00 N ATOM 1357 CA ILE A 87 2.400 5.207 2.536 1.00 0.00 C ATOM 1358 C ILE A 87 2.214 6.611 1.970 0.82 0.00 C ATOM 1359 O ILE A 87 1.134 7.195 2.071 0.05 0.00 O ATOM 1360 CB ILE A 87 1.945 4.174 1.485 0.84 0.00 C ATOM 1361 CG1 ILE A 87 2.147 2.751 2.009 1.00 0.00 C ATOM 1362 CG2 ILE A 87 2.700 4.369 0.178 0.24 0.00 C ATOM 1363 CD1 ILE A 87 1.016 2.261 2.886 1.00 0.00 C ATOM 0 H ILE A 87 0.674 4.869 3.679 1.00 0.00 H new ATOM 0 HA ILE A 87 3.455 5.046 2.758 1.00 0.00 H new ATOM 0 HB ILE A 87 0.883 4.326 1.295 0.84 0.00 H new ATOM 0 HG12 ILE A 87 2.258 2.074 1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.078 2.710 2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.364 3.630 -0.550 0.24 0.00 H new ATOM 0 HG22 ILE A 87 2.509 5.371 -0.207 0.24 0.00 H new ATOM 0 HG23 ILE A 87 3.769 4.246 0.353 0.24 0.00 H new ATOM 0 HD11 ILE A 87 1.228 1.246 3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.918 2.915 3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.086 2.269 2.318 1.00 0.00 H new ATOM 1375 N CYS A 88 3.275 7.148 1.373 0.13 0.00 N ATOM 1376 CA CYS A 88 3.231 8.482 0.787 1.00 0.00 C ATOM 1377 C CYS A 88 2.807 8.412 -0.678 0.29 0.00 C ATOM 1378 O CYS A 88 3.592 8.019 -1.541 0.36 0.00 O ATOM 1379 CB CYS A 88 4.597 9.160 0.900 1.00 0.00 C ATOM 1380 SG CYS A 88 5.252 9.232 2.584 1.00 0.00 S ATOM 0 H CYS A 88 4.176 6.678 1.283 0.13 0.00 H new ATOM 0 HA CYS A 88 2.497 9.071 1.337 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.308 8.627 0.268 1.00 0.00 H new ATOM 0 HB3 CYS A 88 4.520 10.174 0.508 1.00 0.00 H new ATOM 0 HG CYS A 88 4.276 9.422 3.421 1.00 0.00 H new ATOM 1386 N LEU A 89 1.563 8.791 -0.948 1.00 0.00 N ATOM 1387 CA LEU A 89 1.036 8.768 -2.307 0.16 0.00 C ATOM 1388 C LEU A 89 0.263 10.050 -2.607 0.11 0.00 C ATOM 1389 O LEU A 89 -0.443 10.574 -1.745 0.07 0.00 O ATOM 1390 CB LEU A 89 0.129 7.550 -2.506 0.09 0.00 C ATOM 1391 CG LEU A 89 0.354 6.767 -3.804 1.00 0.00 C ATOM 1392 CD1 LEU A 89 0.165 7.665 -5.017 1.00 0.00 C ATOM 1393 CD2 LEU A 89 1.740 6.137 -3.816 1.00 0.00 C ATOM 0 H LEU A 89 0.901 9.118 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 89 1.876 8.699 -2.998 0.16 0.00 H new ATOM 0 HB2 LEU A 89 0.270 6.872 -1.664 0.09 0.00 H new ATOM 0 HB3 LEU A 89 -0.909 7.883 -2.478 0.09 0.00 H new ATOM 0 HG LEU A 89 -0.387 5.970 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.330 7.087 -5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.849 8.064 -5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.879 8.488 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.881 5.585 -4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.496 6.919 -3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.837 5.455 -2.971 1.00 0.00 H new ATOM 1405 N ASP A 90 0.400 10.547 -3.832 0.35 0.00 N ATOM 1406 CA ASP A 90 -0.282 11.771 -4.242 0.69 0.00 C ATOM 1407 C ASP A 90 -1.765 11.521 -4.491 0.07 0.00 C ATOM 1408 O ASP A 90 -2.546 12.463 -4.627 1.00 0.00 O ATOM 1409 CB ASP A 90 0.372 12.345 -5.500 1.00 0.00 C ATOM 1410 CG ASP A 90 1.817 12.741 -5.270 1.00 0.00 C ATOM 1411 OD1 ASP A 90 2.053 13.867 -4.784 0.54 0.00 O ATOM 1412 OD2 ASP A 90 2.712 11.924 -5.574 0.15 0.00 O ATOM 0 H ASP A 90 0.976 10.122 -4.558 0.35 0.00 H new ATOM 0 HA ASP A 90 -0.192 12.493 -3.430 0.69 0.00 H new ATOM 0 HB2 ASP A 90 0.323 11.607 -6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.192 13.216 -5.834 1.00 0.00 H new ATOM 1417 N ILE A 91 -2.153 10.249 -4.550 0.13 0.00 N ATOM 1418 CA ILE A 91 -3.547 9.890 -4.777 0.84 0.00 C ATOM 1419 C ILE A 91 -4.389 10.185 -3.538 0.98 0.00 C ATOM 1420 O ILE A 91 -5.560 10.551 -3.644 0.30 0.00 O ATOM 1421 CB ILE A 91 -3.699 8.401 -5.156 0.08 0.00 C ATOM 1422 CG1 ILE A 91 -5.153 8.089 -5.520 0.06 0.00 C ATOM 1423 CG2 ILE A 91 -3.230 7.508 -4.017 0.07 0.00 C ATOM 1424 CD1 ILE A 91 -5.352 6.698 -6.086 0.57 0.00 C ATOM 0 H ILE A 91 -1.523 9.454 -4.444 0.13 0.00 H new ATOM 0 HA ILE A 91 -3.901 10.496 -5.611 0.84 0.00 H new ATOM 0 HB ILE A 91 -3.074 8.201 -6.026 0.08 0.00 H new ATOM 0 HG12 ILE A 91 -5.774 8.203 -4.631 0.06 0.00 H new ATOM 0 HG13 ILE A 91 -5.502 8.822 -6.248 0.06 0.00 H new ATOM 0 HG21 ILE A 91 -3.345 6.463 -4.303 0.07 0.00 H new ATOM 0 HG22 ILE A 91 -2.181 7.712 -3.803 0.07 0.00 H new ATOM 0 HG23 ILE A 91 -3.828 7.708 -3.128 0.07 0.00 H new ATOM 0 HD11 ILE A 91 -6.406 6.548 -6.321 0.57 0.00 H new ATOM 0 HD12 ILE A 91 -4.759 6.586 -6.993 0.57 0.00 H new ATOM 0 HD13 ILE A 91 -5.035 5.958 -5.352 0.57 0.00 H new ATOM 1436 N LEU A 92 -3.778 10.030 -2.367 0.70 0.00 N ATOM 1437 CA LEU A 92 -4.465 10.284 -1.104 1.00 0.00 C ATOM 1438 C LEU A 92 -4.818 11.760 -0.965 1.00 0.00 C ATOM 1439 O LEU A 92 -5.676 12.130 -0.162 0.09 0.00 O ATOM 1440 CB LEU A 92 -3.590 9.848 0.074 0.35 0.00 C ATOM 1441 CG LEU A 92 -3.384 8.339 0.215 0.85 0.00 C ATOM 1442 CD1 LEU A 92 -2.296 8.046 1.238 0.19 0.00 C ATOM 1443 CD2 LEU A 92 -4.686 7.660 0.614 0.22 0.00 C ATOM 0 H LEU A 92 -2.808 9.730 -2.266 0.70 0.00 H new ATOM 0 HA LEU A 92 -5.388 9.704 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.614 10.323 -0.025 0.35 0.00 H new ATOM 0 HB3 LEU A 92 -4.036 10.224 0.995 0.35 0.00 H new ATOM 0 HG LEU A 92 -3.069 7.941 -0.749 0.85 0.00 H new ATOM 0 HD11 LEU A 92 -2.161 6.968 1.327 0.19 0.00 H new ATOM 0 HD12 LEU A 92 -1.361 8.503 0.915 0.19 0.00 H new ATOM 0 HD13 LEU A 92 -2.586 8.457 2.205 0.19 0.00 H new ATOM 0 HD21 LEU A 92 -4.522 6.587 0.710 0.22 0.00 H new ATOM 0 HD22 LEU A 92 -5.028 8.062 1.568 0.22 0.00 H new ATOM 0 HD23 LEU A 92 -5.442 7.845 -0.150 0.22 0.00 H new ATOM 1455 N GLN A 93 -4.154 12.598 -1.751 0.26 0.00 N ATOM 1456 CA GLN A 93 -4.394 14.037 -1.715 1.00 0.00 C ATOM 1457 C GLN A 93 -5.730 14.386 -2.363 0.47 0.00 C ATOM 1458 O GLN A 93 -6.589 13.522 -2.544 1.00 0.00 O ATOM 1459 CB GLN A 93 -3.260 14.780 -2.423 0.13 0.00 C ATOM 1460 CG GLN A 93 -1.881 14.460 -1.868 0.16 0.00 C ATOM 1461 CD GLN A 93 -1.774 14.726 -0.377 0.22 0.00 C ATOM 1462 OE1 GLN A 93 -1.427 15.829 0.044 0.10 0.00 O ATOM 1463 NE2 GLN A 93 -2.070 13.711 0.427 1.00 0.00 N ATOM 0 H GLN A 93 -3.444 12.306 -2.423 0.26 0.00 H new ATOM 0 HA GLN A 93 -4.428 14.348 -0.671 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.282 14.532 -3.484 0.13 0.00 H new ATOM 0 HB3 GLN A 93 -3.434 15.853 -2.343 0.13 0.00 H new ATOM 0 HG2 GLN A 93 -1.649 13.413 -2.064 0.16 0.00 H new ATOM 0 HG3 GLN A 93 -1.135 15.056 -2.394 0.16 0.00 H new ATOM 0 HE21 GLN A 93 -2.353 12.814 0.033 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -2.014 13.829 1.439 1.00 0.00 H new ATOM 1472 N ASN A 94 -5.900 15.658 -2.714 0.33 0.00 N ATOM 1473 CA ASN A 94 -7.132 16.127 -3.338 0.91 0.00 C ATOM 1474 C ASN A 94 -7.292 15.552 -4.743 0.94 0.00 C ATOM 1475 O ASN A 94 -8.311 15.769 -5.399 0.08 0.00 O ATOM 1476 CB ASN A 94 -7.145 17.655 -3.398 1.00 0.00 C ATOM 1477 CG ASN A 94 -6.871 18.289 -2.048 0.09 0.00 C ATOM 1478 OD1 ASN A 94 -5.723 18.570 -1.704 0.17 0.00 O ATOM 1479 ND2 ASN A 94 -7.926 18.516 -1.274 0.08 0.00 N ATOM 0 H ASN A 94 -5.197 16.384 -2.576 0.33 0.00 H new ATOM 0 HA ASN A 94 -7.968 15.783 -2.730 0.91 0.00 H new ATOM 0 HB2 ASN A 94 -6.397 17.994 -4.114 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.114 17.993 -3.765 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -7.802 18.939 -0.354 0.08 0.00 H new ATOM 0 HD22 ASN A 94 -8.860 18.267 -1.599 0.08 0.00 H new ATOM 1486 N ARG A 95 -6.282 14.820 -5.202 0.19 0.00 N ATOM 1487 CA ARG A 95 -6.319 14.215 -6.529 0.16 0.00 C ATOM 1488 C ARG A 95 -7.199 12.969 -6.540 0.52 0.00 C ATOM 1489 O ARG A 95 -7.365 12.325 -7.575 0.36 0.00 O ATOM 1490 CB ARG A 95 -4.907 13.858 -6.988 1.00 0.00 C ATOM 1491 CG ARG A 95 -4.015 15.069 -7.209 0.38 0.00 C ATOM 1492 CD ARG A 95 -2.644 14.657 -7.713 1.00 0.00 C ATOM 1493 NE ARG A 95 -2.729 13.889 -8.954 0.30 0.00 N ATOM 1494 CZ ARG A 95 -1.854 12.951 -9.303 0.19 0.00 C ATOM 1495 NH1 ARG A 95 -0.833 12.658 -8.507 0.89 0.00 N ATOM 1496 NH2 ARG A 95 -2.003 12.299 -10.448 0.11 0.00 N ATOM 0 H ARG A 95 -5.429 14.631 -4.676 0.19 0.00 H new ATOM 0 HA ARG A 95 -6.746 14.943 -7.218 0.16 0.00 H new ATOM 0 HB2 ARG A 95 -4.446 13.208 -6.244 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -4.968 13.288 -7.915 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.482 15.742 -7.928 0.38 0.00 H new ATOM 0 HG3 ARG A 95 -3.911 15.622 -6.276 0.38 0.00 H new ATOM 0 HD2 ARG A 95 -2.035 15.546 -7.877 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.141 14.062 -6.951 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.504 14.084 -9.588 0.30 0.00 H new ATOM 0 HH11 ARG A 95 -0.717 13.153 -7.623 0.89 0.00 H new ATOM 0 HH12 ARG A 95 -0.164 11.937 -8.779 0.89 0.00 H new ATOM 0 HH21 ARG A 95 -2.789 12.517 -11.061 0.11 0.00 H new ATOM 0 HH22 ARG A 95 -1.332 11.579 -10.716 0.11 0.00 H new ATOM 1510 N TRP A 96 -7.760 12.635 -5.382 0.89 0.00 N ATOM 1511 CA TRP A 96 -8.625 11.469 -5.261 1.00 0.00 C ATOM 1512 C TRP A 96 -10.019 11.764 -5.802 1.00 0.00 C ATOM 1513 O TRP A 96 -10.529 12.875 -5.660 0.18 0.00 O ATOM 1514 CB TRP A 96 -8.717 11.025 -3.798 0.11 0.00 C ATOM 1515 CG TRP A 96 -9.729 9.944 -3.560 0.15 0.00 C ATOM 1516 CD1 TRP A 96 -10.870 10.041 -2.819 0.05 0.00 C ATOM 1517 CD2 TRP A 96 -9.693 8.606 -4.070 1.00 0.00 C ATOM 1518 NE1 TRP A 96 -11.545 8.844 -2.833 1.00 0.00 N ATOM 1519 CE2 TRP A 96 -10.843 7.947 -3.594 0.75 0.00 C ATOM 1520 CE3 TRP A 96 -8.800 7.898 -4.880 0.06 0.00 C ATOM 1521 CZ2 TRP A 96 -11.123 6.619 -3.902 0.19 0.00 C ATOM 1522 CZ3 TRP A 96 -9.079 6.579 -5.186 0.24 0.00 C ATOM 1523 CH2 TRP A 96 -10.232 5.951 -4.698 0.28 0.00 C ATOM 0 H TRP A 96 -7.630 13.156 -4.515 0.89 0.00 H new ATOM 0 HA TRP A 96 -8.189 10.664 -5.852 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -7.738 10.673 -3.472 0.11 0.00 H new ATOM 0 HB3 TRP A 96 -8.967 11.888 -3.180 0.11 0.00 H new ATOM 0 HD1 TRP A 96 -11.195 10.929 -2.297 0.05 0.00 H new ATOM 0 HE1 TRP A 96 -12.426 8.654 -2.355 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -7.908 8.373 -5.260 0.06 0.00 H new ATOM 0 HZ2 TRP A 96 -12.011 6.133 -3.526 0.19 0.00 H new ATOM 0 HZ3 TRP A 96 -8.396 6.023 -5.812 0.24 0.00 H new ATOM 0 HH2 TRP A 96 -10.422 4.919 -4.955 0.28 0.00 H new ATOM 1534 N SER A 97 -10.627 10.760 -6.425 0.44 0.00 N ATOM 1535 CA SER A 97 -11.965 10.903 -6.987 0.11 0.00 C ATOM 1536 C SER A 97 -12.836 9.706 -6.608 1.00 0.00 C ATOM 1537 O SER A 97 -12.343 8.584 -6.503 0.06 0.00 O ATOM 1538 CB SER A 97 -11.893 11.041 -8.508 1.00 0.00 C ATOM 1539 OG SER A 97 -11.130 12.176 -8.882 0.06 0.00 O ATOM 0 H SER A 97 -10.213 9.837 -6.554 0.44 0.00 H new ATOM 0 HA SER A 97 -12.415 11.806 -6.575 0.11 0.00 H new ATOM 0 HB2 SER A 97 -11.449 10.143 -8.937 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.900 11.125 -8.917 1.00 0.00 H new ATOM 0 HG SER A 97 -11.098 12.241 -9.859 0.06 0.00 H new ATOM 1545 N PRO A 98 -14.149 9.926 -6.397 1.00 0.00 N ATOM 1546 CA PRO A 98 -15.079 8.856 -6.020 0.09 0.00 C ATOM 1547 C PRO A 98 -15.329 7.865 -7.152 1.00 0.00 C ATOM 1548 O PRO A 98 -15.996 6.848 -6.959 0.07 0.00 O ATOM 1549 CB PRO A 98 -16.380 9.599 -5.673 1.00 0.00 C ATOM 1550 CG PRO A 98 -16.015 11.045 -5.598 0.45 0.00 C ATOM 1551 CD PRO A 98 -14.832 11.223 -6.503 0.07 0.00 C ATOM 0 HA PRO A 98 -14.680 8.259 -5.200 0.09 0.00 H new ATOM 0 HB2 PRO A 98 -17.143 9.427 -6.432 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -16.789 9.249 -4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -16.847 11.674 -5.916 0.45 0.00 H new ATOM 0 HG3 PRO A 98 -15.770 11.333 -4.576 0.45 0.00 H new ATOM 0 HD2 PRO A 98 -15.134 11.439 -7.528 0.07 0.00 H new ATOM 0 HD3 PRO A 98 -14.194 12.045 -6.179 0.07 0.00 H new ATOM 1559 N THR A 99 -14.793 8.163 -8.331 0.45 0.00 N ATOM 1560 CA THR A 99 -14.971 7.293 -9.490 0.22 0.00 C ATOM 1561 C THR A 99 -14.030 6.092 -9.441 1.00 0.00 C ATOM 1562 O THR A 99 -14.323 5.042 -10.013 1.00 0.00 O ATOM 1563 CB THR A 99 -14.747 8.053 -10.806 1.00 0.00 C ATOM 1564 OG1 THR A 99 -14.930 7.173 -11.921 0.94 0.00 O ATOM 1565 CG2 THR A 99 -13.355 8.646 -10.843 1.00 0.00 C ATOM 0 H THR A 99 -14.234 8.997 -8.510 0.45 0.00 H new ATOM 0 HA THR A 99 -16.001 6.939 -9.454 0.22 0.00 H new ATOM 0 HB THR A 99 -15.475 8.862 -10.867 1.00 0.00 H new ATOM 0 HG1 THR A 99 -14.787 7.667 -12.755 0.94 0.00 H new ATOM 0 HG21 THR A 99 -13.212 9.181 -11.782 1.00 0.00 H new ATOM 0 HG22 THR A 99 -13.232 9.337 -10.009 1.00 0.00 H new ATOM 0 HG23 THR A 99 -12.617 7.848 -10.765 1.00 0.00 H new ATOM 1573 N TYR A 100 -12.901 6.251 -8.758 0.22 0.00 N ATOM 1574 CA TYR A 100 -11.923 5.174 -8.641 1.00 0.00 C ATOM 1575 C TYR A 100 -12.357 4.157 -7.590 1.00 0.00 C ATOM 1576 O TYR A 100 -13.352 4.355 -6.892 0.13 0.00 O ATOM 1577 CB TYR A 100 -10.545 5.738 -8.286 0.15 0.00 C ATOM 1578 CG TYR A 100 -9.974 6.658 -9.343 1.00 0.00 C ATOM 1579 CD1 TYR A 100 -9.468 6.151 -10.533 1.00 0.00 C ATOM 1580 CD2 TYR A 100 -9.938 8.031 -9.147 0.18 0.00 C ATOM 1581 CE1 TYR A 100 -8.944 6.989 -11.500 1.00 0.00 C ATOM 1582 CE2 TYR A 100 -9.416 8.877 -10.108 0.43 0.00 C ATOM 1583 CZ TYR A 100 -8.919 8.351 -11.283 0.17 0.00 C ATOM 1584 OH TYR A 100 -8.399 9.189 -12.241 0.32 0.00 O ATOM 0 H TYR A 100 -12.641 7.113 -8.278 0.22 0.00 H new ATOM 0 HA TYR A 100 -11.861 4.670 -9.605 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -10.616 6.281 -7.344 0.15 0.00 H new ATOM 0 HB3 TYR A 100 -9.854 4.911 -8.125 0.15 0.00 H new ATOM 0 HD1 TYR A 100 -9.484 5.085 -10.706 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -10.324 8.446 -8.228 0.18 0.00 H new ATOM 0 HE1 TYR A 100 -8.556 6.579 -12.421 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -9.397 9.944 -9.940 0.43 0.00 H new ATOM 0 HH TYR A 100 -8.458 10.117 -11.931 0.32 0.00 H new ATOM 1594 N ASP A 101 -11.604 3.065 -7.483 0.21 0.00 N ATOM 1595 CA ASP A 101 -11.910 2.012 -6.520 0.31 0.00 C ATOM 1596 C ASP A 101 -10.678 1.640 -5.703 0.42 0.00 C ATOM 1597 O ASP A 101 -9.616 2.247 -5.850 0.11 0.00 O ATOM 1598 CB ASP A 101 -12.447 0.774 -7.243 0.32 0.00 C ATOM 1599 CG ASP A 101 -13.693 1.072 -8.054 0.15 0.00 C ATOM 1600 OD1 ASP A 101 -13.556 1.475 -9.228 1.00 0.00 O ATOM 1601 OD2 ASP A 101 -14.807 0.900 -7.515 0.14 0.00 O ATOM 0 H ASP A 101 -10.777 2.887 -8.052 0.21 0.00 H new ATOM 0 HA ASP A 101 -12.672 2.390 -5.839 0.31 0.00 H new ATOM 0 HB2 ASP A 101 -11.674 0.378 -7.902 0.32 0.00 H new ATOM 0 HB3 ASP A 101 -12.670 -0.002 -6.511 0.32 0.00 H new ATOM 1606 N VAL A 102 -10.827 0.639 -4.838 0.82 0.00 N ATOM 1607 CA VAL A 102 -9.729 0.178 -3.996 0.32 0.00 C ATOM 1608 C VAL A 102 -8.596 -0.398 -4.842 1.00 0.00 C ATOM 1609 O VAL A 102 -7.443 -0.444 -4.409 0.54 0.00 O ATOM 1610 CB VAL A 102 -10.206 -0.889 -2.988 0.19 0.00 C ATOM 1611 CG1 VAL A 102 -10.725 -2.121 -3.713 0.16 0.00 C ATOM 1612 CG2 VAL A 102 -9.091 -1.259 -2.024 1.00 0.00 C ATOM 0 H VAL A 102 -11.701 0.131 -4.703 0.82 0.00 H new ATOM 0 HA VAL A 102 -9.361 1.044 -3.446 0.32 0.00 H new ATOM 0 HB VAL A 102 -11.026 -0.465 -2.409 0.19 0.00 H new ATOM 0 HG11 VAL A 102 -11.056 -2.860 -2.983 0.16 0.00 H new ATOM 0 HG12 VAL A 102 -11.563 -1.841 -4.352 0.16 0.00 H new ATOM 0 HG13 VAL A 102 -9.929 -2.546 -4.324 0.16 0.00 H new ATOM 0 HG21 VAL A 102 -9.451 -2.012 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -8.244 -1.658 -2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.777 -0.372 -1.474 1.00 0.00 H new ATOM 1622 N SER A 103 -8.931 -0.838 -6.050 0.48 0.00 N ATOM 1623 CA SER A 103 -7.942 -1.411 -6.958 1.00 0.00 C ATOM 1624 C SER A 103 -6.926 -0.358 -7.391 0.65 0.00 C ATOM 1625 O SER A 103 -5.758 -0.667 -7.623 0.09 0.00 O ATOM 1626 CB SER A 103 -8.632 -2.003 -8.188 0.40 0.00 C ATOM 1627 OG SER A 103 -9.357 -1.011 -8.894 1.00 0.00 O ATOM 0 H SER A 103 -9.880 -0.809 -6.424 0.48 0.00 H new ATOM 0 HA SER A 103 -7.415 -2.204 -6.427 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.887 -2.451 -8.846 0.40 0.00 H new ATOM 0 HB3 SER A 103 -9.307 -2.802 -7.881 0.40 0.00 H new ATOM 0 HG SER A 103 -9.787 -1.415 -9.676 1.00 0.00 H new ATOM 1633 N SER A 104 -7.381 0.887 -7.495 0.17 0.00 N ATOM 1634 CA SER A 104 -6.517 1.989 -7.905 0.73 0.00 C ATOM 1635 C SER A 104 -5.432 2.257 -6.865 1.00 0.00 C ATOM 1636 O SER A 104 -4.249 2.328 -7.195 1.00 0.00 O ATOM 1637 CB SER A 104 -7.345 3.254 -8.135 1.00 0.00 C ATOM 1638 OG SER A 104 -6.530 4.325 -8.577 1.00 0.00 O ATOM 0 H SER A 104 -8.345 1.158 -7.301 0.17 0.00 H new ATOM 0 HA SER A 104 -6.031 1.705 -8.838 0.73 0.00 H new ATOM 0 HB2 SER A 104 -8.121 3.055 -8.874 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.850 3.535 -7.211 1.00 0.00 H new ATOM 0 HG SER A 104 -7.084 5.121 -8.718 1.00 0.00 H new ATOM 1644 N ILE A 105 -5.842 2.409 -5.607 0.53 0.00 N ATOM 1645 CA ILE A 105 -4.903 2.677 -4.523 0.25 0.00 C ATOM 1646 C ILE A 105 -3.965 1.491 -4.304 0.92 0.00 C ATOM 1647 O ILE A 105 -2.792 1.671 -3.973 0.31 0.00 O ATOM 1648 CB ILE A 105 -5.647 3.017 -3.210 0.67 0.00 C ATOM 1649 CG1 ILE A 105 -4.673 3.569 -2.154 0.06 0.00 C ATOM 1650 CG2 ILE A 105 -6.401 1.801 -2.684 0.12 0.00 C ATOM 1651 CD1 ILE A 105 -3.994 2.513 -1.300 0.08 0.00 C ATOM 0 H ILE A 105 -6.818 2.351 -5.315 0.53 0.00 H new ATOM 0 HA ILE A 105 -4.306 3.542 -4.814 0.25 0.00 H new ATOM 0 HB ILE A 105 -6.379 3.796 -3.426 0.67 0.00 H new ATOM 0 HG12 ILE A 105 -3.906 4.156 -2.659 0.06 0.00 H new ATOM 0 HG13 ILE A 105 -5.217 4.251 -1.500 0.06 0.00 H new ATOM 0 HG21 ILE A 105 -6.916 2.064 -1.760 0.12 0.00 H new ATOM 0 HG22 ILE A 105 -7.130 1.476 -3.426 0.12 0.00 H new ATOM 0 HG23 ILE A 105 -5.697 0.992 -2.489 0.12 0.00 H new ATOM 0 HD11 ILE A 105 -3.327 2.996 -0.586 0.08 0.00 H new ATOM 0 HD12 ILE A 105 -4.749 1.940 -0.762 0.08 0.00 H new ATOM 0 HD13 ILE A 105 -3.418 1.844 -1.939 0.08 0.00 H new ATOM 1663 N LEU A 106 -4.483 0.279 -4.498 0.50 0.00 N ATOM 1664 CA LEU A 106 -3.687 -0.932 -4.318 0.67 0.00 C ATOM 1665 C LEU A 106 -2.507 -0.950 -5.284 1.00 0.00 C ATOM 1666 O LEU A 106 -1.383 -1.279 -4.901 0.31 0.00 O ATOM 1667 CB LEU A 106 -4.556 -2.177 -4.526 1.00 0.00 C ATOM 1668 CG LEU A 106 -4.447 -3.244 -3.431 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -4.838 -2.668 -2.076 0.05 0.00 C ATOM 1670 CD2 LEU A 106 -5.317 -4.444 -3.771 0.25 0.00 C ATOM 0 H LEU A 106 -5.449 0.111 -4.779 0.50 0.00 H new ATOM 0 HA LEU A 106 -3.301 -0.938 -3.299 0.67 0.00 H new ATOM 0 HB2 LEU A 106 -5.597 -1.864 -4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.289 -2.631 -5.480 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.409 -3.573 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.753 -3.442 -1.313 0.05 0.00 H new ATOM 0 HD12 LEU A 106 -4.174 -1.840 -1.827 0.05 0.00 H new ATOM 0 HD13 LEU A 106 -5.866 -2.309 -2.116 0.05 0.00 H new ATOM 0 HD21 LEU A 106 -5.228 -5.192 -2.984 0.25 0.00 H new ATOM 0 HD22 LEU A 106 -6.357 -4.127 -3.855 0.25 0.00 H new ATOM 0 HD23 LEU A 106 -4.991 -4.873 -4.718 0.25 0.00 H new ATOM 1682 N THR A 107 -2.769 -0.595 -6.539 1.00 0.00 N ATOM 1683 CA THR A 107 -1.728 -0.567 -7.561 0.18 0.00 C ATOM 1684 C THR A 107 -0.808 0.635 -7.377 0.92 0.00 C ATOM 1685 O THR A 107 0.369 0.587 -7.735 0.37 0.00 O ATOM 1686 CB THR A 107 -2.329 -0.527 -8.978 0.14 0.00 C ATOM 1687 OG1 THR A 107 -3.164 0.630 -9.123 0.06 0.00 O ATOM 1688 CG2 THR A 107 -3.140 -1.783 -9.259 0.06 0.00 C ATOM 0 H THR A 107 -3.694 -0.323 -6.872 1.00 0.00 H new ATOM 0 HA THR A 107 -1.151 -1.484 -7.447 0.18 0.00 H new ATOM 0 HB THR A 107 -1.510 -0.476 -9.695 0.14 0.00 H new ATOM 0 HG1 THR A 107 -3.318 1.035 -8.244 0.06 0.00 H new ATOM 0 HG21 THR A 107 -3.554 -1.731 -10.266 0.06 0.00 H new ATOM 0 HG22 THR A 107 -2.496 -2.658 -9.176 0.06 0.00 H new ATOM 0 HG23 THR A 107 -3.952 -1.861 -8.536 0.06 0.00 H new ATOM 1696 N SER A 108 -1.353 1.714 -6.821 0.06 0.00 N ATOM 1697 CA SER A 108 -0.580 2.932 -6.592 0.09 0.00 C ATOM 1698 C SER A 108 0.635 2.650 -5.714 0.31 0.00 C ATOM 1699 O SER A 108 1.747 3.080 -6.023 0.12 0.00 O ATOM 1700 CB SER A 108 -1.455 4.005 -5.941 0.23 0.00 C ATOM 1701 OG SER A 108 -2.528 4.374 -6.790 1.00 0.00 O ATOM 0 H SER A 108 -2.326 1.770 -6.521 0.06 0.00 H new ATOM 0 HA SER A 108 -0.231 3.295 -7.559 0.09 0.00 H new ATOM 0 HB2 SER A 108 -1.848 3.633 -4.995 0.23 0.00 H new ATOM 0 HB3 SER A 108 -0.850 4.882 -5.712 0.23 0.00 H new ATOM 0 HG SER A 108 -3.100 3.595 -6.952 1.00 0.00 H new ATOM 1707 N ILE A 109 0.417 1.927 -4.619 1.00 0.00 N ATOM 1708 CA ILE A 109 1.496 1.587 -3.700 0.11 0.00 C ATOM 1709 C ILE A 109 2.533 0.701 -4.382 0.14 0.00 C ATOM 1710 O ILE A 109 3.729 0.804 -4.107 0.07 0.00 O ATOM 1711 CB ILE A 109 0.958 0.869 -2.445 0.57 0.00 C ATOM 1712 CG1 ILE A 109 -0.098 1.735 -1.753 0.10 0.00 C ATOM 1713 CG2 ILE A 109 2.099 0.543 -1.488 0.08 0.00 C ATOM 1714 CD1 ILE A 109 -0.782 1.050 -0.588 0.36 0.00 C ATOM 0 H ILE A 109 -0.497 1.566 -4.348 1.00 0.00 H new ATOM 0 HA ILE A 109 1.966 2.522 -3.396 0.11 0.00 H new ATOM 0 HB ILE A 109 0.491 -0.067 -2.750 0.57 0.00 H new ATOM 0 HG12 ILE A 109 0.373 2.652 -1.398 0.10 0.00 H new ATOM 0 HG13 ILE A 109 -0.852 2.027 -2.484 0.10 0.00 H new ATOM 0 HG21 ILE A 109 1.702 0.037 -0.608 0.08 0.00 H new ATOM 0 HG22 ILE A 109 2.818 -0.107 -1.987 0.08 0.00 H new ATOM 0 HG23 ILE A 109 2.594 1.465 -1.184 0.08 0.00 H new ATOM 0 HD11 ILE A 109 -1.516 1.725 -0.149 0.36 0.00 H new ATOM 0 HD12 ILE A 109 -1.283 0.148 -0.939 0.36 0.00 H new ATOM 0 HD13 ILE A 109 -0.039 0.783 0.164 0.36 0.00 H new ATOM 1726 N GLN A 110 2.067 -0.168 -5.274 0.77 0.00 N ATOM 1727 CA GLN A 110 2.955 -1.068 -5.999 1.00 0.00 C ATOM 1728 C GLN A 110 3.955 -0.279 -6.839 0.07 0.00 C ATOM 1729 O GLN A 110 5.097 -0.699 -7.024 1.00 0.00 O ATOM 1730 CB GLN A 110 2.147 -2.000 -6.904 1.00 0.00 C ATOM 1731 CG GLN A 110 2.994 -3.040 -7.616 0.46 0.00 C ATOM 1732 CD GLN A 110 2.286 -3.650 -8.809 0.07 0.00 C ATOM 1733 OE1 GLN A 110 2.383 -3.146 -9.927 0.69 0.00 O ATOM 1734 NE2 GLN A 110 1.569 -4.743 -8.577 1.00 0.00 N ATOM 0 H GLN A 110 1.080 -0.267 -5.511 0.77 0.00 H new ATOM 0 HA GLN A 110 3.502 -1.664 -5.268 1.00 0.00 H new ATOM 0 HB2 GLN A 110 1.390 -2.507 -6.306 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.619 -1.403 -7.647 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.925 -2.580 -7.947 0.46 0.00 H new ATOM 0 HG3 GLN A 110 3.260 -3.830 -6.913 0.46 0.00 H new ATOM 0 HE21 GLN A 110 1.516 -5.127 -7.634 1.00 0.00 H new ATOM 0 HE22 GLN A 110 1.071 -5.198 -9.342 1.00 0.00 H new ATOM 1743 N SER A 111 3.511 0.868 -7.344 0.38 0.00 N ATOM 1744 CA SER A 111 4.355 1.723 -8.168 0.80 0.00 C ATOM 1745 C SER A 111 5.460 2.368 -7.339 1.00 0.00 C ATOM 1746 O SER A 111 6.541 2.662 -7.852 0.07 0.00 O ATOM 1747 CB SER A 111 3.512 2.806 -8.843 0.18 0.00 C ATOM 1748 OG SER A 111 4.316 3.647 -9.652 0.25 0.00 O ATOM 0 H SER A 111 2.568 1.227 -7.196 0.38 0.00 H new ATOM 0 HA SER A 111 4.819 1.100 -8.933 0.80 0.00 H new ATOM 0 HB2 SER A 111 2.738 2.341 -9.453 0.18 0.00 H new ATOM 0 HB3 SER A 111 3.005 3.402 -8.084 0.18 0.00 H new ATOM 0 HG SER A 111 3.754 4.330 -10.074 0.25 0.00 H new ATOM 1754 N LEU A 112 5.182 2.586 -6.058 1.00 0.00 N ATOM 1755 CA LEU A 112 6.152 3.203 -5.159 0.57 0.00 C ATOM 1756 C LEU A 112 7.426 2.369 -5.090 0.55 0.00 C ATOM 1757 O LEU A 112 8.524 2.907 -4.947 0.79 0.00 O ATOM 1758 CB LEU A 112 5.553 3.358 -3.758 0.12 0.00 C ATOM 1759 CG LEU A 112 6.409 4.157 -2.771 0.20 0.00 C ATOM 1760 CD1 LEU A 112 6.377 5.637 -3.118 0.05 0.00 C ATOM 1761 CD2 LEU A 112 5.930 3.931 -1.345 1.00 0.00 C ATOM 0 H LEU A 112 4.294 2.345 -5.619 1.00 0.00 H new ATOM 0 HA LEU A 112 6.402 4.189 -5.550 0.57 0.00 H new ATOM 0 HB2 LEU A 112 4.581 3.843 -3.847 0.12 0.00 H new ATOM 0 HB3 LEU A 112 5.378 2.366 -3.343 0.12 0.00 H new ATOM 0 HG LEU A 112 7.439 3.808 -2.845 0.20 0.00 H new ATOM 0 HD11 LEU A 112 6.990 6.191 -2.407 0.05 0.00 H new ATOM 0 HD12 LEU A 112 6.768 5.783 -4.125 0.05 0.00 H new ATOM 0 HD13 LEU A 112 5.350 6.000 -3.071 0.05 0.00 H new ATOM 0 HD21 LEU A 112 6.550 4.506 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 112 4.893 4.253 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.004 2.871 -1.100 1.00 0.00 H new ATOM 1773 N LEU A 113 7.269 1.053 -5.194 0.06 0.00 N ATOM 1774 CA LEU A 113 8.404 0.141 -5.143 0.09 0.00 C ATOM 1775 C LEU A 113 9.324 0.360 -6.335 0.06 0.00 C ATOM 1776 O LEU A 113 10.547 0.375 -6.196 0.13 0.00 O ATOM 1777 CB LEU A 113 7.928 -1.312 -5.140 0.06 0.00 C ATOM 1778 CG LEU A 113 6.610 -1.567 -4.410 0.07 0.00 C ATOM 1779 CD1 LEU A 113 6.243 -3.037 -4.493 0.82 0.00 C ATOM 1780 CD2 LEU A 113 6.707 -1.114 -2.960 1.00 0.00 C ATOM 0 H LEU A 113 6.366 0.595 -5.314 0.06 0.00 H new ATOM 0 HA LEU A 113 8.952 0.344 -4.223 0.09 0.00 H new ATOM 0 HB2 LEU A 113 7.822 -1.644 -6.173 0.06 0.00 H new ATOM 0 HB3 LEU A 113 8.702 -1.929 -4.684 0.06 0.00 H new ATOM 0 HG LEU A 113 5.823 -0.987 -4.893 0.07 0.00 H new ATOM 0 HD11 LEU A 113 5.302 -3.207 -3.969 0.82 0.00 H new ATOM 0 HD12 LEU A 113 6.134 -3.326 -5.538 0.82 0.00 H new ATOM 0 HD13 LEU A 113 7.029 -3.635 -4.031 0.82 0.00 H new ATOM 0 HD21 LEU A 113 5.759 -1.303 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.502 -1.666 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.929 -0.047 -2.926 1.00 0.00 H new ATOM 1792 N ASP A 114 8.723 0.529 -7.508 0.25 0.00 N ATOM 1793 CA ASP A 114 9.486 0.738 -8.728 1.00 0.00 C ATOM 1794 C ASP A 114 10.311 2.018 -8.640 0.60 0.00 C ATOM 1795 O ASP A 114 11.522 2.005 -8.860 0.83 0.00 O ATOM 1796 CB ASP A 114 8.553 0.798 -9.939 1.00 0.00 C ATOM 1797 CG ASP A 114 9.314 0.895 -11.248 0.71 0.00 C ATOM 1798 OD1 ASP A 114 9.649 2.027 -11.658 0.09 0.00 O ATOM 1799 OD2 ASP A 114 9.576 -0.161 -11.860 0.10 0.00 O ATOM 0 H ASP A 114 7.711 0.525 -7.637 0.25 0.00 H new ATOM 0 HA ASP A 114 10.167 -0.105 -8.849 1.00 0.00 H new ATOM 0 HB2 ASP A 114 7.922 -0.091 -9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 114 7.890 1.658 -9.842 1.00 0.00 H new ATOM 1804 N GLU A 115 9.646 3.121 -8.312 0.91 0.00 N ATOM 1805 CA GLU A 115 10.313 4.411 -8.191 0.07 0.00 C ATOM 1806 C GLU A 115 9.483 5.377 -7.342 1.00 0.00 C ATOM 1807 O GLU A 115 8.387 5.772 -7.739 0.06 0.00 O ATOM 1808 CB GLU A 115 10.567 5.013 -9.575 0.22 0.00 C ATOM 1809 CG GLU A 115 9.330 5.073 -10.458 0.12 0.00 C ATOM 1810 CD GLU A 115 9.598 5.750 -11.787 0.68 0.00 C ATOM 1811 OE1 GLU A 115 10.125 5.082 -12.700 0.21 0.00 O ATOM 1812 OE2 GLU A 115 9.279 6.952 -11.914 0.32 0.00 O ATOM 0 H GLU A 115 8.644 3.146 -8.125 0.91 0.00 H new ATOM 0 HA GLU A 115 11.270 4.251 -7.694 0.07 0.00 H new ATOM 0 HB2 GLU A 115 10.965 6.021 -9.455 0.22 0.00 H new ATOM 0 HB3 GLU A 115 11.334 4.426 -10.080 0.22 0.00 H new ATOM 0 HG2 GLU A 115 8.965 4.061 -10.636 0.12 0.00 H new ATOM 0 HG3 GLU A 115 8.539 5.609 -9.934 0.12 0.00 H new ATOM 1886 N PRO A 121 10.159 14.302 0.180 1.00 0.00 N ATOM 1887 CA PRO A 121 10.684 13.212 1.009 0.13 0.00 C ATOM 1888 C PRO A 121 10.066 13.202 2.402 0.09 0.00 C ATOM 1889 O PRO A 121 9.883 14.252 3.018 1.00 0.00 O ATOM 1890 CB PRO A 121 12.187 13.505 1.092 0.49 0.00 C ATOM 1891 CG PRO A 121 12.470 14.404 -0.062 1.00 0.00 C ATOM 1892 CD PRO A 121 11.225 15.217 -0.264 0.85 0.00 C ATOM 0 HA PRO A 121 10.456 12.234 0.584 0.13 0.00 H new ATOM 0 HB2 PRO A 121 12.444 13.983 2.037 0.49 0.00 H new ATOM 0 HB3 PRO A 121 12.772 12.587 1.030 0.49 0.00 H new ATOM 0 HG2 PRO A 121 13.327 15.046 0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 121 12.710 13.828 -0.956 1.00 0.00 H new ATOM 0 HD2 PRO A 121 11.241 16.134 0.325 0.85 0.00 H new ATOM 0 HD3 PRO A 121 11.098 15.510 -1.306 0.85 0.00 H new ATOM 1900 N ALA A 122 9.749 12.009 2.894 0.09 0.00 N ATOM 1901 CA ALA A 122 9.148 11.862 4.212 0.28 0.00 C ATOM 1902 C ALA A 122 10.185 11.462 5.255 0.30 0.00 C ATOM 1903 O ALA A 122 10.064 11.809 6.430 1.00 0.00 O ATOM 1904 CB ALA A 122 8.022 10.842 4.164 0.29 0.00 C ATOM 0 H ALA A 122 9.899 11.130 2.398 0.09 0.00 H new ATOM 0 HA ALA A 122 8.739 12.829 4.505 0.28 0.00 H new ATOM 0 HB1 ALA A 122 7.580 10.741 5.155 0.29 0.00 H new ATOM 0 HB2 ALA A 122 7.260 11.174 3.459 0.29 0.00 H new ATOM 0 HB3 ALA A 122 8.417 9.878 3.843 0.29 0.00 H new ATOM 1910 N ASN A 123 11.205 10.730 4.819 1.00 0.00 N ATOM 1911 CA ASN A 123 12.264 10.285 5.717 0.65 0.00 C ATOM 1912 C ASN A 123 13.623 10.785 5.240 0.06 0.00 C ATOM 1913 O ASN A 123 14.204 10.236 4.304 1.00 0.00 O ATOM 1914 CB ASN A 123 12.272 8.758 5.811 0.09 0.00 C ATOM 1915 CG ASN A 123 13.113 8.252 6.968 0.59 0.00 C ATOM 1916 OD1 ASN A 123 14.073 8.900 7.384 0.12 0.00 O ATOM 1917 ND2 ASN A 123 12.757 7.085 7.491 0.07 0.00 N ATOM 0 H ASN A 123 11.320 10.433 3.850 1.00 0.00 H new ATOM 0 HA ASN A 123 12.070 10.701 6.706 0.65 0.00 H new ATOM 0 HB2 ASN A 123 11.249 8.399 5.925 0.09 0.00 H new ATOM 0 HB3 ASN A 123 12.654 8.342 4.879 0.09 0.00 H new ATOM 0 HD21 ASN A 123 13.287 6.692 8.269 0.07 0.00 H new ATOM 0 HD22 ASN A 123 11.954 6.581 7.115 0.07 0.00 H new ATOM 1924 N SER A 124 14.123 11.833 5.888 1.00 0.00 N ATOM 1925 CA SER A 124 15.412 12.411 5.527 1.00 0.00 C ATOM 1926 C SER A 124 16.548 11.429 5.788 0.07 0.00 C ATOM 1927 O SER A 124 17.580 11.468 5.117 0.23 0.00 O ATOM 1928 CB SER A 124 15.653 13.703 6.310 0.22 0.00 C ATOM 1929 OG SER A 124 15.656 13.463 7.706 0.57 0.00 O ATOM 0 H SER A 124 13.655 12.299 6.665 1.00 0.00 H new ATOM 0 HA SER A 124 15.390 12.636 4.461 1.00 0.00 H new ATOM 0 HB2 SER A 124 16.606 14.140 6.011 0.22 0.00 H new ATOM 0 HB3 SER A 124 14.878 14.430 6.065 0.22 0.00 H new ATOM 0 HG SER A 124 15.814 14.305 8.182 0.57 0.00 H new ATOM 1935 N GLN A 125 16.356 10.550 6.766 0.27 0.00 N ATOM 1936 CA GLN A 125 17.369 9.559 7.110 0.14 0.00 C ATOM 1937 C GLN A 125 17.476 8.494 6.025 1.00 0.00 C ATOM 1938 O GLN A 125 18.561 8.231 5.508 0.13 0.00 O ATOM 1939 CB GLN A 125 17.040 8.905 8.453 0.49 0.00 C ATOM 1940 CG GLN A 125 18.075 7.886 8.904 1.00 0.00 C ATOM 1941 CD GLN A 125 17.773 7.310 10.273 1.00 0.00 C ATOM 1942 OE1 GLN A 125 16.613 7.207 10.674 0.47 0.00 O ATOM 1943 NE2 GLN A 125 18.818 6.933 10.998 1.00 0.00 N ATOM 0 H GLN A 125 15.510 10.504 7.334 0.27 0.00 H new ATOM 0 HA GLN A 125 18.329 10.070 7.190 0.14 0.00 H new ATOM 0 HB2 GLN A 125 16.951 9.681 9.213 0.49 0.00 H new ATOM 0 HB3 GLN A 125 16.068 8.416 8.381 0.49 0.00 H new ATOM 0 HG2 GLN A 125 18.122 7.076 8.176 1.00 0.00 H new ATOM 0 HG3 GLN A 125 19.058 8.356 8.921 1.00 0.00 H new ATOM 0 HE21 GLN A 125 19.762 7.037 10.625 1.00 0.00 H new ATOM 0 HE22 GLN A 125 18.678 6.539 11.928 1.00 0.00 H new ATOM 1952 N ALA A 126 16.343 7.886 5.681 1.00 0.00 N ATOM 1953 CA ALA A 126 16.311 6.849 4.656 0.12 0.00 C ATOM 1954 C ALA A 126 16.922 7.350 3.350 0.54 0.00 C ATOM 1955 O ALA A 126 17.675 6.634 2.690 1.00 0.00 O ATOM 1956 CB ALA A 126 14.883 6.379 4.427 0.55 0.00 C ATOM 0 H ALA A 126 15.436 8.094 6.098 1.00 0.00 H new ATOM 0 HA ALA A 126 16.907 6.006 5.006 0.12 0.00 H new ATOM 0 HB1 ALA A 126 14.873 5.605 3.660 0.55 0.00 H new ATOM 0 HB2 ALA A 126 14.480 5.975 5.355 0.55 0.00 H new ATOM 0 HB3 ALA A 126 14.271 7.220 4.102 0.55 0.00 H new ATOM 1962 N ALA A 127 16.592 8.585 2.984 0.85 0.00 N ATOM 1963 CA ALA A 127 17.114 9.185 1.762 1.00 0.00 C ATOM 1964 C ALA A 127 18.605 9.473 1.893 1.00 0.00 C ATOM 1965 O ALA A 127 19.352 9.386 0.917 0.15 0.00 O ATOM 1966 CB ALA A 127 16.355 10.462 1.433 1.00 0.00 C ATOM 0 H ALA A 127 15.966 9.189 3.516 0.85 0.00 H new ATOM 0 HA ALA A 127 16.974 8.475 0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 127 16.756 10.898 0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 127 15.299 10.232 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 127 16.465 11.172 2.252 1.00 0.00 H new ATOM 1972 N GLN A 128 19.030 9.817 3.105 0.15 0.00 N ATOM 1973 CA GLN A 128 20.433 10.123 3.367 0.19 0.00 C ATOM 1974 C GLN A 128 21.318 8.909 3.097 1.00 0.00 C ATOM 1975 O GLN A 128 22.323 9.010 2.397 1.00 0.00 O ATOM 1976 CB GLN A 128 20.614 10.586 4.814 0.10 0.00 C ATOM 1977 CG GLN A 128 22.013 11.100 5.116 0.10 0.00 C ATOM 1978 CD GLN A 128 22.189 11.501 6.570 0.44 0.00 C ATOM 1979 OE1 GLN A 128 23.284 11.399 7.124 0.81 0.00 O ATOM 1980 NE2 GLN A 128 21.111 11.962 7.193 0.19 0.00 N ATOM 0 H GLN A 128 18.423 9.891 3.921 0.15 0.00 H new ATOM 0 HA GLN A 128 20.734 10.926 2.694 0.19 0.00 H new ATOM 0 HB2 GLN A 128 19.892 11.374 5.028 0.10 0.00 H new ATOM 0 HB3 GLN A 128 20.388 9.756 5.484 0.10 0.00 H new ATOM 0 HG2 GLN A 128 22.741 10.328 4.866 0.10 0.00 H new ATOM 0 HG3 GLN A 128 22.226 11.958 4.478 0.10 0.00 H new ATOM 0 HE21 GLN A 128 20.224 12.029 6.695 0.19 0.00 H new ATOM 0 HE22 GLN A 128 21.170 12.249 8.170 0.19 0.00 H new ATOM 1989 N LEU A 129 20.939 7.767 3.660 0.32 0.00 N ATOM 1990 CA LEU A 129 21.702 6.535 3.474 0.36 0.00 C ATOM 1991 C LEU A 129 21.767 6.155 1.999 0.63 0.00 C ATOM 1992 O LEU A 129 22.708 5.494 1.559 0.07 0.00 O ATOM 1993 CB LEU A 129 21.082 5.392 4.283 0.11 0.00 C ATOM 1994 CG LEU A 129 21.456 5.357 5.769 1.00 0.00 C ATOM 1995 CD1 LEU A 129 22.960 5.205 5.940 1.00 0.00 C ATOM 1996 CD2 LEU A 129 20.961 6.606 6.483 0.06 0.00 C ATOM 0 H LEU A 129 20.111 7.667 4.247 0.32 0.00 H new ATOM 0 HA LEU A 129 22.717 6.710 3.832 0.36 0.00 H new ATOM 0 HB2 LEU A 129 19.997 5.459 4.201 0.11 0.00 H new ATOM 0 HB3 LEU A 129 21.379 4.446 3.829 0.11 0.00 H new ATOM 0 HG LEU A 129 20.969 4.492 6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 129 23.205 5.182 7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 129 23.287 4.277 5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 129 23.467 6.047 5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 129 21.239 6.557 7.536 0.06 0.00 H new ATOM 0 HD22 LEU A 129 21.413 7.488 6.029 0.06 0.00 H new ATOM 0 HD23 LEU A 129 19.876 6.669 6.396 0.06 0.00 H new ATOM 2008 N TYR A 130 20.759 6.573 1.239 1.00 0.00 N ATOM 2009 CA TYR A 130 20.700 6.272 -0.187 0.08 0.00 C ATOM 2010 C TYR A 130 21.760 7.054 -0.960 1.00 0.00 C ATOM 2011 O TYR A 130 22.236 6.603 -2.004 1.00 0.00 O ATOM 2012 CB TYR A 130 19.310 6.592 -0.742 1.00 0.00 C ATOM 2013 CG TYR A 130 19.142 6.235 -2.202 0.06 0.00 C ATOM 2014 CD1 TYR A 130 18.895 4.925 -2.589 0.44 0.00 C ATOM 2015 CD2 TYR A 130 19.235 7.206 -3.192 1.00 0.00 C ATOM 2016 CE1 TYR A 130 18.745 4.592 -3.922 0.22 0.00 C ATOM 2017 CE2 TYR A 130 19.086 6.881 -4.525 0.71 0.00 C ATOM 2018 CZ TYR A 130 18.841 5.574 -4.886 0.12 0.00 C ATOM 2019 OH TYR A 130 18.694 5.245 -6.215 0.14 0.00 O ATOM 0 H TYR A 130 19.972 7.121 1.587 1.00 0.00 H new ATOM 0 HA TYR A 130 20.899 5.208 -0.312 0.08 0.00 H new ATOM 0 HB2 TYR A 130 18.563 6.055 -0.157 1.00 0.00 H new ATOM 0 HB3 TYR A 130 19.113 7.656 -0.612 1.00 0.00 H new ATOM 0 HD1 TYR A 130 18.819 4.154 -1.837 0.44 0.00 H new ATOM 0 HD2 TYR A 130 19.427 8.232 -2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 130 18.554 3.568 -4.207 0.22 0.00 H new ATOM 0 HE2 TYR A 130 19.161 7.648 -5.282 0.71 0.00 H new ATOM 0 HH TYR A 130 18.789 6.051 -6.764 0.14 0.00 H new ATOM 2029 N GLN A 131 22.127 8.223 -0.444 0.05 0.00 N ATOM 2030 CA GLN A 131 23.128 9.063 -1.095 0.28 0.00 C ATOM 2031 C GLN A 131 24.471 8.984 -0.376 0.42 0.00 C ATOM 2032 O GLN A 131 25.487 9.452 -0.891 1.00 0.00 O ATOM 2033 CB GLN A 131 22.649 10.516 -1.150 0.30 0.00 C ATOM 2034 CG GLN A 131 22.335 11.106 0.215 0.43 0.00 C ATOM 2035 CD GLN A 131 21.840 12.537 0.131 0.05 0.00 C ATOM 2036 OE1 GLN A 131 20.640 12.785 0.021 0.17 0.00 O ATOM 2037 NE2 GLN A 131 22.765 13.488 0.183 0.13 0.00 N ATOM 0 H GLN A 131 21.748 8.610 0.420 0.05 0.00 H new ATOM 0 HA GLN A 131 23.264 8.692 -2.111 0.28 0.00 H new ATOM 0 HB2 GLN A 131 23.415 11.124 -1.632 0.30 0.00 H new ATOM 0 HB3 GLN A 131 21.757 10.572 -1.775 0.30 0.00 H new ATOM 0 HG2 GLN A 131 21.580 10.493 0.707 0.43 0.00 H new ATOM 0 HG3 GLN A 131 23.230 11.071 0.837 0.43 0.00 H new ATOM 0 HE21 GLN A 131 23.749 13.237 0.275 0.13 0.00 H new ATOM 0 HE22 GLN A 131 22.491 14.469 0.131 0.13 0.00 H new ATOM 2046 N GLU A 132 24.474 8.388 0.813 0.06 0.00 N ATOM 2047 CA GLU A 132 25.696 8.249 1.594 0.15 0.00 C ATOM 2048 C GLU A 132 26.254 6.832 1.496 0.26 0.00 C ATOM 2049 O GLU A 132 27.138 6.559 0.684 0.14 0.00 O ATOM 2050 CB GLU A 132 25.433 8.605 3.059 0.41 0.00 C ATOM 2051 CG GLU A 132 25.086 10.069 3.278 1.00 0.00 C ATOM 2052 CD GLU A 132 26.198 11.005 2.844 0.52 0.00 C ATOM 2053 OE1 GLU A 132 26.208 11.404 1.660 0.86 0.00 O ATOM 2054 OE2 GLU A 132 27.057 11.337 3.685 0.10 0.00 O ATOM 0 H GLU A 132 23.644 7.994 1.255 0.06 0.00 H new ATOM 0 HA GLU A 132 26.435 8.937 1.185 0.15 0.00 H new ATOM 0 HB2 GLU A 132 24.617 7.987 3.433 0.41 0.00 H new ATOM 0 HB3 GLU A 132 26.316 8.358 3.648 0.41 0.00 H new ATOM 0 HG2 GLU A 132 24.178 10.310 2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 132 24.870 10.233 4.334 1.00 0.00 H new ATOM 2061 N ASN A 133 25.730 5.935 2.326 1.00 0.00 N ATOM 2062 CA ASN A 133 26.178 4.546 2.336 0.11 0.00 C ATOM 2063 C ASN A 133 25.160 3.640 1.650 0.39 0.00 C ATOM 2064 O ASN A 133 24.144 3.274 2.239 1.00 0.00 O ATOM 2065 CB ASN A 133 26.411 4.072 3.773 0.89 0.00 C ATOM 2066 CG ASN A 133 27.637 4.702 4.411 0.90 0.00 C ATOM 2067 OD1 ASN A 133 28.298 4.085 5.246 0.55 0.00 O ATOM 2068 ND2 ASN A 133 27.946 5.938 4.029 0.69 0.00 N ATOM 0 H ASN A 133 24.994 6.145 3.001 1.00 0.00 H new ATOM 0 HA ASN A 133 27.117 4.491 1.785 0.11 0.00 H new ATOM 0 HB2 ASN A 133 25.533 4.307 4.375 0.89 0.00 H new ATOM 0 HB3 ASN A 133 26.521 2.988 3.779 0.89 0.00 H new ATOM 0 HD21 ASN A 133 28.757 6.408 4.431 0.69 0.00 H new ATOM 0 HD22 ASN A 133 27.372 6.415 3.334 0.69 0.00 H new ATOM 2075 N LYS A 134 25.442 3.283 0.401 0.19 0.00 N ATOM 2076 CA LYS A 134 24.553 2.418 -0.366 0.09 0.00 C ATOM 2077 C LYS A 134 24.567 0.996 0.190 0.50 0.00 C ATOM 2078 O LYS A 134 23.578 0.273 0.095 1.00 0.00 O ATOM 2079 CB LYS A 134 24.967 2.407 -1.839 1.00 0.00 C ATOM 2080 CG LYS A 134 25.069 3.794 -2.454 0.29 0.00 C ATOM 2081 CD LYS A 134 25.574 3.732 -3.886 0.06 0.00 C ATOM 2082 CE LYS A 134 25.771 5.122 -4.470 1.00 0.00 C ATOM 2083 NZ LYS A 134 26.280 5.069 -5.867 0.17 0.00 N ATOM 0 H LYS A 134 26.279 3.579 -0.101 0.19 0.00 H new ATOM 0 HA LYS A 134 23.540 2.811 -0.283 0.09 0.00 H new ATOM 0 HB2 LYS A 134 25.930 1.905 -1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 134 24.245 1.820 -2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 134 24.091 4.276 -2.432 0.29 0.00 H new ATOM 0 HG3 LYS A 134 25.741 4.410 -1.856 0.29 0.00 H new ATOM 0 HD2 LYS A 134 26.517 3.187 -3.917 0.06 0.00 H new ATOM 0 HD3 LYS A 134 24.864 3.176 -4.499 0.06 0.00 H new ATOM 0 HE2 LYS A 134 24.825 5.662 -4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 134 26.471 5.681 -3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 26.401 6.036 -6.229 0.17 0.00 H new ATOM 0 HZ2 LYS A 134 27.195 4.576 -5.884 0.17 0.00 H new ATOM 0 HZ3 LYS A 134 25.600 4.558 -6.465 0.17 0.00 H new ATOM 2097 N ARG A 135 25.699 0.609 0.768 0.42 0.00 N ATOM 2098 CA ARG A 135 25.852 -0.725 1.343 1.00 0.00 C ATOM 2099 C ARG A 135 24.890 -0.931 2.508 0.41 0.00 C ATOM 2100 O ARG A 135 24.461 -2.052 2.781 0.39 0.00 O ATOM 2101 CB ARG A 135 27.291 -0.934 1.814 1.00 0.00 C ATOM 2102 CG ARG A 135 28.318 -0.813 0.699 0.17 0.00 C ATOM 2103 CD ARG A 135 29.734 -0.785 1.251 1.00 0.00 C ATOM 2104 NE ARG A 135 29.938 0.331 2.171 0.15 0.00 N ATOM 2105 CZ ARG A 135 31.133 0.741 2.585 0.56 0.00 C ATOM 2106 NH1 ARG A 135 32.232 0.130 2.162 1.00 0.00 N ATOM 2107 NH2 ARG A 135 31.230 1.765 3.422 1.00 0.00 N ATOM 0 H ARG A 135 26.526 1.200 0.851 0.42 0.00 H new ATOM 0 HA ARG A 135 25.617 -1.456 0.569 1.00 0.00 H new ATOM 0 HB2 ARG A 135 27.521 -0.203 2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 135 27.376 -1.920 2.270 1.00 0.00 H new ATOM 0 HG2 ARG A 135 28.211 -1.651 0.011 0.17 0.00 H new ATOM 0 HG3 ARG A 135 28.131 0.096 0.127 0.17 0.00 H new ATOM 0 HD2 ARG A 135 29.941 -1.723 1.766 1.00 0.00 H new ATOM 0 HD3 ARG A 135 30.444 -0.710 0.427 1.00 0.00 H new ATOM 0 HE ARG A 135 29.115 0.825 2.516 0.15 0.00 H new ATOM 0 HH11 ARG A 135 32.162 -0.657 1.517 1.00 0.00 H new ATOM 0 HH12 ARG A 135 33.147 0.447 2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 135 30.388 2.238 3.748 1.00 0.00 H new ATOM 0 HH22 ARG A 135 32.147 2.079 3.739 1.00 0.00 H new ATOM 2121 N GLU A 136 24.558 0.157 3.195 0.44 0.00 N ATOM 2122 CA GLU A 136 23.648 0.092 4.331 0.07 0.00 C ATOM 2123 C GLU A 136 22.197 0.049 3.864 0.11 0.00 C ATOM 2124 O GLU A 136 21.340 -0.541 4.522 1.00 0.00 O ATOM 2125 CB GLU A 136 23.863 1.294 5.252 1.00 0.00 C ATOM 2126 CG GLU A 136 25.260 1.362 5.849 0.68 0.00 C ATOM 2127 CD GLU A 136 25.596 0.142 6.685 1.00 0.00 C ATOM 2128 OE1 GLU A 136 25.243 0.128 7.883 0.21 0.00 O ATOM 2129 OE2 GLU A 136 26.212 -0.798 6.141 0.05 0.00 O ATOM 0 H GLU A 136 24.905 1.093 2.985 0.44 0.00 H new ATOM 0 HA GLU A 136 23.861 -0.824 4.883 0.07 0.00 H new ATOM 0 HB2 GLU A 136 23.672 2.209 4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 136 23.133 1.257 6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 136 25.990 1.460 5.046 0.68 0.00 H new ATOM 0 HG3 GLU A 136 25.344 2.256 6.467 0.68 0.00 H new ATOM 2136 N TYR A 137 21.927 0.674 2.723 0.08 0.00 N ATOM 2137 CA TYR A 137 20.578 0.709 2.171 1.00 0.00 C ATOM 2138 C TYR A 137 20.181 -0.648 1.598 0.15 0.00 C ATOM 2139 O TYR A 137 19.071 -1.127 1.830 0.57 0.00 O ATOM 2140 CB TYR A 137 20.475 1.783 1.086 0.08 0.00 C ATOM 2141 CG TYR A 137 19.100 1.889 0.464 1.00 0.00 C ATOM 2142 CD1 TYR A 137 18.079 2.581 1.103 0.65 0.00 C ATOM 2143 CD2 TYR A 137 18.825 1.300 -0.764 1.00 0.00 C ATOM 2144 CE1 TYR A 137 16.822 2.681 0.538 0.08 0.00 C ATOM 2145 CE2 TYR A 137 17.571 1.395 -1.336 1.00 0.00 C ATOM 2146 CZ TYR A 137 16.573 2.087 -0.681 1.00 0.00 C ATOM 2147 OH TYR A 137 15.323 2.185 -1.248 0.08 0.00 O ATOM 0 H TYR A 137 22.625 1.163 2.162 0.08 0.00 H new ATOM 0 HA TYR A 137 19.891 0.952 2.982 1.00 0.00 H new ATOM 0 HB2 TYR A 137 20.745 2.748 1.515 0.08 0.00 H new ATOM 0 HB3 TYR A 137 21.202 1.567 0.303 0.08 0.00 H new ATOM 0 HD1 TYR A 137 18.271 3.049 2.057 0.65 0.00 H new ATOM 0 HD2 TYR A 137 19.604 0.759 -1.280 1.00 0.00 H new ATOM 0 HE1 TYR A 137 16.039 3.222 1.049 0.08 0.00 H new ATOM 0 HE2 TYR A 137 17.373 0.930 -2.291 1.00 0.00 H new ATOM 0 HH TYR A 137 15.315 1.713 -2.107 0.08 0.00 H new ATOM 2157 N GLU A 138 21.094 -1.263 0.851 0.35 0.00 N ATOM 2158 CA GLU A 138 20.834 -2.563 0.238 1.00 0.00 C ATOM 2159 C GLU A 138 20.570 -3.630 1.297 1.00 0.00 C ATOM 2160 O GLU A 138 19.680 -4.466 1.136 0.48 0.00 O ATOM 2161 CB GLU A 138 22.011 -2.983 -0.645 0.12 0.00 C ATOM 2162 CG GLU A 138 23.337 -3.053 0.094 0.08 0.00 C ATOM 2163 CD GLU A 138 24.482 -3.489 -0.803 0.08 0.00 C ATOM 2164 OE1 GLU A 138 24.730 -4.710 -0.898 1.00 0.00 O ATOM 2165 OE2 GLU A 138 25.129 -2.609 -1.408 0.14 0.00 O ATOM 0 H GLU A 138 22.020 -0.883 0.655 0.35 0.00 H new ATOM 0 HA GLU A 138 19.942 -2.467 -0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 138 21.796 -3.959 -1.081 0.12 0.00 H new ATOM 0 HB3 GLU A 138 22.103 -2.278 -1.471 0.12 0.00 H new ATOM 0 HG2 GLU A 138 23.565 -2.075 0.518 0.08 0.00 H new ATOM 0 HG3 GLU A 138 23.248 -3.749 0.928 0.08 0.00 H new ATOM 2172 N LYS A 139 21.342 -3.599 2.379 0.13 0.00 N ATOM 2173 CA LYS A 139 21.182 -4.570 3.458 1.00 0.00 C ATOM 2174 C LYS A 139 19.810 -4.437 4.114 1.00 0.00 C ATOM 2175 O LYS A 139 19.199 -5.435 4.498 1.00 0.00 O ATOM 2176 CB LYS A 139 22.286 -4.398 4.503 1.00 0.00 C ATOM 2177 CG LYS A 139 23.669 -4.780 4.000 0.69 0.00 C ATOM 2178 CD LYS A 139 23.757 -6.262 3.670 0.73 0.00 C ATOM 2179 CE LYS A 139 25.147 -6.645 3.188 1.00 0.00 C ATOM 2180 NZ LYS A 139 26.176 -6.439 4.243 0.08 0.00 N ATOM 0 H LYS A 139 22.083 -2.915 2.532 0.13 0.00 H new ATOM 0 HA LYS A 139 21.260 -5.568 3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 139 22.303 -3.359 4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 139 22.046 -5.005 5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 139 23.908 -4.195 3.112 0.69 0.00 H new ATOM 0 HG3 LYS A 139 24.413 -4.531 4.756 0.69 0.00 H new ATOM 0 HD2 LYS A 139 23.503 -6.848 4.553 0.73 0.00 H new ATOM 0 HD3 LYS A 139 23.024 -6.509 2.902 0.73 0.00 H new ATOM 0 HE2 LYS A 139 25.149 -7.690 2.878 1.00 0.00 H new ATOM 0 HE3 LYS A 139 25.403 -6.052 2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 27.060 -6.910 3.962 0.08 0.00 H new ATOM 0 HZ2 LYS A 139 26.349 -5.421 4.365 0.08 0.00 H new ATOM 0 HZ3 LYS A 139 25.839 -6.843 5.140 0.08 0.00 H new ATOM 2194 N ARG A 140 19.330 -3.203 4.242 0.27 0.00 N ATOM 2195 CA ARG A 140 18.027 -2.951 4.846 0.08 0.00 C ATOM 2196 C ARG A 140 16.919 -3.557 3.991 0.05 0.00 C ATOM 2197 O ARG A 140 15.887 -3.989 4.505 0.38 0.00 O ATOM 2198 CB ARG A 140 17.792 -1.449 5.020 1.00 0.00 C ATOM 2199 CG ARG A 140 18.666 -0.810 6.088 0.35 0.00 C ATOM 2200 CD ARG A 140 18.286 -1.286 7.482 1.00 0.00 C ATOM 2201 NE ARG A 140 19.122 -0.678 8.515 0.29 0.00 N ATOM 2202 CZ ARG A 140 19.018 -0.956 9.812 0.10 0.00 C ATOM 2203 NH1 ARG A 140 18.109 -1.823 10.240 0.36 0.00 N ATOM 2204 NH2 ARG A 140 19.825 -0.366 10.683 1.00 0.00 N ATOM 0 H ARG A 140 19.823 -2.364 3.936 0.27 0.00 H new ATOM 0 HA ARG A 140 18.012 -3.421 5.829 0.08 0.00 H new ATOM 0 HB2 ARG A 140 17.974 -0.950 4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 140 16.745 -1.282 5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 140 19.712 -1.049 5.894 0.35 0.00 H new ATOM 0 HG3 ARG A 140 18.572 0.275 6.035 0.35 0.00 H new ATOM 0 HD2 ARG A 140 17.240 -1.046 7.674 1.00 0.00 H new ATOM 0 HD3 ARG A 140 18.379 -2.371 7.533 1.00 0.00 H new ATOM 0 HE ARG A 140 19.827 -0.000 8.225 0.29 0.00 H new ATOM 0 HH11 ARG A 140 17.486 -2.280 9.574 0.36 0.00 H new ATOM 0 HH12 ARG A 140 18.033 -2.033 11.235 0.36 0.00 H new ATOM 0 HH21 ARG A 140 20.525 0.301 10.359 1.00 0.00 H new ATOM 0 HH22 ARG A 140 19.745 -0.579 11.677 1.00 0.00 H new ATOM 2218 N VAL A 141 17.147 -3.584 2.682 0.44 0.00 N ATOM 2219 CA VAL A 141 16.177 -4.143 1.748 1.00 0.00 C ATOM 2220 C VAL A 141 16.026 -5.646 1.960 0.73 0.00 C ATOM 2221 O VAL A 141 14.916 -6.175 1.951 0.21 0.00 O ATOM 2222 CB VAL A 141 16.592 -3.878 0.286 0.13 0.00 C ATOM 2223 CG1 VAL A 141 15.625 -4.545 -0.680 0.13 0.00 C ATOM 2224 CG2 VAL A 141 16.675 -2.383 0.020 0.14 0.00 C ATOM 0 H VAL A 141 17.995 -3.225 2.244 0.44 0.00 H new ATOM 0 HA VAL A 141 15.223 -3.652 1.940 1.00 0.00 H new ATOM 0 HB VAL A 141 17.579 -4.311 0.126 0.13 0.00 H new ATOM 0 HG11 VAL A 141 15.938 -4.344 -1.705 0.13 0.00 H new ATOM 0 HG12 VAL A 141 15.621 -5.621 -0.506 0.13 0.00 H new ATOM 0 HG13 VAL A 141 14.622 -4.148 -0.523 0.13 0.00 H new ATOM 0 HG21 VAL A 141 16.969 -2.214 -1.016 0.14 0.00 H new ATOM 0 HG22 VAL A 141 15.702 -1.927 0.200 0.14 0.00 H new ATOM 0 HG23 VAL A 141 17.414 -1.936 0.685 0.14 0.00 H new ATOM 2234 N SER A 142 17.151 -6.325 2.153 0.38 0.00 N ATOM 2235 CA SER A 142 17.146 -7.767 2.371 0.23 0.00 C ATOM 2236 C SER A 142 16.474 -8.115 3.695 0.09 0.00 C ATOM 2237 O SER A 142 15.876 -9.181 3.837 0.19 0.00 O ATOM 2238 CB SER A 142 18.575 -8.312 2.354 0.37 0.00 C ATOM 2239 OG SER A 142 19.206 -8.051 1.112 0.07 0.00 O ATOM 0 H SER A 142 18.078 -5.900 2.163 0.38 0.00 H new ATOM 0 HA SER A 142 16.578 -8.229 1.563 0.23 0.00 H new ATOM 0 HB2 SER A 142 19.150 -7.857 3.160 0.37 0.00 H new ATOM 0 HB3 SER A 142 18.560 -9.386 2.539 0.37 0.00 H new ATOM 0 HG SER A 142 20.119 -8.408 1.127 0.07 0.00 H new ATOM 2245 N ALA A 143 16.579 -7.207 4.660 0.81 0.00 N ATOM 2246 CA ALA A 143 15.989 -7.416 5.977 0.06 0.00 C ATOM 2247 C ALA A 143 14.464 -7.440 5.909 0.98 0.00 C ATOM 2248 O ALA A 143 13.832 -8.404 6.341 0.20 0.00 O ATOM 2249 CB ALA A 143 16.455 -6.334 6.939 0.46 0.00 C ATOM 0 H ALA A 143 17.068 -6.318 4.554 0.81 0.00 H new ATOM 0 HA ALA A 143 16.322 -8.387 6.342 0.06 0.00 H new ATOM 0 HB1 ALA A 143 16.008 -6.501 7.919 0.46 0.00 H new ATOM 0 HB2 ALA A 143 17.541 -6.367 7.026 0.46 0.00 H new ATOM 0 HB3 ALA A 143 16.151 -5.357 6.563 0.46 0.00 H new ATOM 2255 N ILE A 144 13.879 -6.376 5.368 0.66 0.00 N ATOM 2256 CA ILE A 144 12.427 -6.274 5.255 0.45 0.00 C ATOM 2257 C ILE A 144 11.843 -7.396 4.400 1.00 0.00 C ATOM 2258 O ILE A 144 10.719 -7.844 4.636 1.00 0.00 O ATOM 2259 CB ILE A 144 12.002 -4.916 4.660 0.13 0.00 C ATOM 2260 CG1 ILE A 144 12.658 -4.699 3.293 1.00 0.00 C ATOM 2261 CG2 ILE A 144 12.364 -3.788 5.613 0.35 0.00 C ATOM 2262 CD1 ILE A 144 12.169 -3.458 2.577 0.12 0.00 C ATOM 0 H ILE A 144 14.388 -5.572 5.001 0.66 0.00 H new ATOM 0 HA ILE A 144 12.034 -6.362 6.268 0.45 0.00 H new ATOM 0 HB ILE A 144 10.921 -4.920 4.522 0.13 0.00 H new ATOM 0 HG12 ILE A 144 13.738 -4.631 3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 144 12.467 -5.570 2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 144 12.059 -2.835 5.181 0.35 0.00 H new ATOM 0 HG22 ILE A 144 11.852 -3.936 6.564 0.35 0.00 H new ATOM 0 HG23 ILE A 144 13.441 -3.783 5.778 0.35 0.00 H new ATOM 0 HD11 ILE A 144 12.676 -3.368 1.616 0.12 0.00 H new ATOM 0 HD12 ILE A 144 11.094 -3.532 2.414 0.12 0.00 H new ATOM 0 HD13 ILE A 144 12.384 -2.579 3.184 0.12 0.00 H new ATOM 2274 N VAL A 145 12.605 -7.848 3.410 0.67 0.00 N ATOM 2275 CA VAL A 145 12.151 -8.917 2.527 1.00 0.00 C ATOM 2276 C VAL A 145 12.246 -10.277 3.216 1.00 0.00 C ATOM 2277 O VAL A 145 11.360 -11.119 3.072 0.11 0.00 O ATOM 2278 CB VAL A 145 12.963 -8.947 1.216 0.06 0.00 C ATOM 2279 CG1 VAL A 145 12.619 -10.176 0.388 0.76 0.00 C ATOM 2280 CG2 VAL A 145 12.721 -7.676 0.412 0.08 0.00 C ATOM 0 H VAL A 145 13.537 -7.492 3.199 0.67 0.00 H new ATOM 0 HA VAL A 145 11.108 -8.712 2.288 1.00 0.00 H new ATOM 0 HB VAL A 145 14.021 -9.000 1.474 0.06 0.00 H new ATOM 0 HG11 VAL A 145 13.206 -10.172 -0.531 0.76 0.00 H new ATOM 0 HG12 VAL A 145 12.847 -11.075 0.960 0.76 0.00 H new ATOM 0 HG13 VAL A 145 11.558 -10.163 0.141 0.76 0.00 H new ATOM 0 HG21 VAL A 145 13.301 -7.713 -0.510 0.08 0.00 H new ATOM 0 HG22 VAL A 145 11.661 -7.594 0.171 0.08 0.00 H new ATOM 0 HG23 VAL A 145 13.027 -6.810 0.999 0.08 0.00 H new ATOM 2290 N GLU A 146 13.322 -10.481 3.968 0.07 0.00 N ATOM 2291 CA GLU A 146 13.535 -11.740 4.677 0.27 0.00 C ATOM 2292 C GLU A 146 12.505 -11.925 5.788 0.05 0.00 C ATOM 2293 O GLU A 146 12.017 -13.032 6.016 0.10 0.00 O ATOM 2294 CB GLU A 146 14.948 -11.782 5.263 0.13 0.00 C ATOM 2295 CG GLU A 146 15.291 -13.099 5.944 0.21 0.00 C ATOM 2296 CD GLU A 146 15.217 -14.281 4.999 0.71 0.00 C ATOM 2297 OE1 GLU A 146 16.189 -14.501 4.244 0.81 0.00 O ATOM 2298 OE2 GLU A 146 14.187 -14.991 5.013 0.60 0.00 O ATOM 0 H GLU A 146 14.061 -9.791 4.103 0.07 0.00 H new ATOM 0 HA GLU A 146 13.418 -12.555 3.963 0.27 0.00 H new ATOM 0 HB2 GLU A 146 15.668 -11.598 4.465 0.13 0.00 H new ATOM 0 HB3 GLU A 146 15.057 -10.972 5.984 0.13 0.00 H new ATOM 0 HG2 GLU A 146 16.295 -13.036 6.363 0.21 0.00 H new ATOM 0 HG3 GLU A 146 14.607 -13.262 6.777 0.21 0.00 H new ATOM 2305 N GLN A 147 12.178 -10.835 6.476 0.54 0.00 N ATOM 2306 CA GLN A 147 11.207 -10.880 7.566 0.93 0.00 C ATOM 2307 C GLN A 147 9.811 -11.201 7.041 1.00 0.00 C ATOM 2308 O GLN A 147 8.971 -11.731 7.769 0.11 0.00 O ATOM 2309 CB GLN A 147 11.189 -9.547 8.317 1.00 0.00 C ATOM 2310 CG GLN A 147 12.489 -9.244 9.046 0.10 0.00 C ATOM 2311 CD GLN A 147 12.475 -7.892 9.734 0.15 0.00 C ATOM 2312 OE1 GLN A 147 13.109 -7.706 10.773 0.13 0.00 O ATOM 2313 NE2 GLN A 147 11.756 -6.936 9.156 1.00 0.00 N ATOM 0 H GLN A 147 12.570 -9.910 6.299 0.54 0.00 H new ATOM 0 HA GLN A 147 11.507 -11.672 8.252 0.93 0.00 H new ATOM 0 HB2 GLN A 147 10.982 -8.743 7.610 1.00 0.00 H new ATOM 0 HB3 GLN A 147 10.371 -9.556 9.038 1.00 0.00 H new ATOM 0 HG2 GLN A 147 12.675 -10.022 9.787 0.10 0.00 H new ATOM 0 HG3 GLN A 147 13.315 -9.277 8.335 0.10 0.00 H new ATOM 0 HE21 GLN A 147 11.245 -7.132 8.295 1.00 0.00 H new ATOM 0 HE22 GLN A 147 11.715 -6.006 9.573 1.00 0.00 H new ATOM 2322 N SER A 148 9.571 -10.879 5.774 0.43 0.00 N ATOM 2323 CA SER A 148 8.276 -11.135 5.154 0.08 0.00 C ATOM 2324 C SER A 148 8.279 -12.475 4.425 0.48 0.00 C ATOM 2325 O SER A 148 7.285 -12.862 3.813 0.11 0.00 O ATOM 2326 CB SER A 148 7.926 -10.011 4.177 0.08 0.00 C ATOM 2327 OG SER A 148 7.846 -8.762 4.844 1.00 0.00 O ATOM 0 H SER A 148 10.255 -10.441 5.157 0.43 0.00 H new ATOM 0 HA SER A 148 7.523 -11.171 5.941 0.08 0.00 H new ATOM 0 HB2 SER A 148 8.680 -9.960 3.391 0.08 0.00 H new ATOM 0 HB3 SER A 148 6.975 -10.229 3.692 0.08 0.00 H new ATOM 0 HG SER A 148 8.727 -8.332 4.841 1.00 0.00 H new ATOM 2333 N TRP A 149 9.407 -13.177 4.499 1.00 0.00 N ATOM 2334 CA TRP A 149 9.543 -14.475 3.848 0.52 0.00 C ATOM 2335 C TRP A 149 9.173 -15.608 4.801 0.13 0.00 C ATOM 2336 O TRP A 149 8.800 -15.368 5.949 1.00 0.00 O ATOM 2337 CB TRP A 149 10.975 -14.664 3.344 0.12 0.00 C ATOM 2338 CG TRP A 149 11.092 -14.601 1.851 0.59 0.00 C ATOM 2339 CD1 TRP A 149 10.952 -13.495 1.062 1.00 0.00 C ATOM 2340 CD2 TRP A 149 11.374 -15.692 0.967 1.00 0.00 C ATOM 2341 NE1 TRP A 149 11.129 -13.832 -0.257 0.16 0.00 N ATOM 2342 CE2 TRP A 149 11.389 -15.176 -0.342 0.42 0.00 C ATOM 2343 CE3 TRP A 149 11.615 -17.056 1.156 0.44 0.00 C ATOM 2344 CZ2 TRP A 149 11.637 -15.975 -1.456 1.00 0.00 C ATOM 2345 CZ3 TRP A 149 11.861 -17.849 0.051 0.09 0.00 C ATOM 2346 CH2 TRP A 149 11.871 -17.306 -1.240 0.39 0.00 C ATOM 0 H TRP A 149 10.238 -12.868 5.003 1.00 0.00 H new ATOM 0 HA TRP A 149 8.857 -14.502 3.001 0.52 0.00 H new ATOM 0 HB2 TRP A 149 11.612 -13.896 3.784 0.12 0.00 H new ATOM 0 HB3 TRP A 149 11.351 -15.627 3.690 0.12 0.00 H new ATOM 0 HD1 TRP A 149 10.734 -12.501 1.423 1.00 0.00 H new ATOM 0 HE1 TRP A 149 11.076 -13.187 -1.046 0.16 0.00 H new ATOM 0 HE3 TRP A 149 11.609 -17.483 2.148 0.44 0.00 H new ATOM 0 HZ2 TRP A 149 11.644 -15.560 -2.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 12.048 -18.904 0.185 0.09 0.00 H new ATOM 0 HH2 TRP A 149 12.068 -17.952 -2.083 0.39 0.00 H new