USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 967 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 94 LYS NZ :NH3+ 172:sc= 1.11 (180deg=0) USER MOD Set 1.2: A 107 HIS : no HE2:sc= 0.926 K(o=2,f=-5.4!) USER MOD Set 2.1: A 60 ASN : amide:sc= 0.0288 K(o=0.084,f=-1.7) USER MOD Set 2.2: A 62 THR OG1 : rot 18:sc= 0.0552 USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc= 0.029 USER MOD Set 3.2: A 49 GLN : amide:sc= 0.61 K(o=1.2,f=-0.091) USER MOD Set 3.3: A 53 ASN : amide:sc= 0.514 K(o=1.2,f=-2.3!) USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0.0461 USER MOD Set 4.2: A 8 GLN : amide:sc= -0.15 K(o=-0.1,f=0.59) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 78:sc= 0.209 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 92:sc= 1.23 USER MOD Single : A 28 THR OG1 : rot -75:sc= 0.525 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 81:sc= 0.65 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 70:sc= 0.284 USER MOD Single : A 41 GLN : amide:sc= -0.0721 K(o=-0.072,f=-2.2!) USER MOD Single : A 42 ASN : amide:sc= -0.0154 X(o=-0.015,f=-0.015) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -131:sc= 0 (180deg=-0.442) USER MOD Single : A 70 THR OG1 : rot 69:sc= 0.374 USER MOD Single : A 71 MET CE :methyl -150:sc= -2.16 (180deg=-4.08!) USER MOD Single : A 72 MET CE :methyl -168:sc= -0.838 (180deg=-1.21) USER MOD Single : A 97 ASN : amide:sc= -0.142 K(o=-0.14,f=-2.6!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0405 USER MOD Single : A 109 MET CE :methyl -158:sc= 0 (180deg=-0.627) USER MOD Single : A 110 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 115 LYS NZ :NH3+ -160:sc= -0.062 (180deg=-0.438) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.023 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0.227 X(o=0.23,f=0) USER MOD Single : A 137 ASN : amide:sc= -0.464 K(o=-0.46,f=-4.9!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -166:sc= -1.17 (180deg=-2.25) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -10.771 15.928 1.574 1.00 0.00 N ATOM 59 CA THR A 5 -11.511 17.018 1.018 1.00 0.00 C ATOM 60 C THR A 5 -12.910 16.542 0.827 1.00 0.00 C ATOM 61 O THR A 5 -13.192 15.348 0.738 1.00 0.00 O ATOM 62 CB THR A 5 -11.009 17.647 -0.247 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.113 16.758 -1.349 1.00 0.00 O ATOM 64 CG2 THR A 5 -9.505 17.960 -0.170 1.00 0.00 C ATOM 0 HA THR A 5 -11.405 17.832 1.735 1.00 0.00 H new ATOM 0 HB THR A 5 -11.616 18.544 -0.372 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.779 17.199 -2.158 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.180 18.415 -1.106 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.319 18.650 0.653 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.949 17.037 -0.003 1.00 0.00 H new ATOM 72 N GLU A 6 -13.823 17.512 0.640 1.00 0.00 N ATOM 73 CA GLU A 6 -15.221 17.305 0.418 1.00 0.00 C ATOM 74 C GLU A 6 -15.457 16.769 -0.952 1.00 0.00 C ATOM 75 O GLU A 6 -16.329 15.912 -1.085 1.00 0.00 O ATOM 76 CB GLU A 6 -15.943 18.598 0.832 1.00 0.00 C ATOM 77 CG GLU A 6 -17.462 18.452 0.727 1.00 0.00 C ATOM 78 CD GLU A 6 -18.009 19.836 1.045 1.00 0.00 C ATOM 79 OE1 GLU A 6 -17.499 20.554 1.946 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.017 20.219 0.393 1.00 0.00 O ATOM 0 H GLU A 6 -13.569 18.500 0.644 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.658 16.522 1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.671 18.855 1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.611 19.420 0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.760 18.128 -0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.837 17.708 1.429 1.00 0.00 H new ATOM 87 N GLU A 7 -14.515 17.030 -1.876 1.00 0.00 N ATOM 88 CA GLU A 7 -14.518 16.522 -3.213 1.00 0.00 C ATOM 89 C GLU A 7 -14.200 15.067 -3.245 1.00 0.00 C ATOM 90 O GLU A 7 -14.837 14.386 -4.048 1.00 0.00 O ATOM 91 CB GLU A 7 -13.541 17.283 -4.124 1.00 0.00 C ATOM 92 CG GLU A 7 -13.707 18.783 -3.875 1.00 0.00 C ATOM 93 CD GLU A 7 -12.457 19.520 -4.334 1.00 0.00 C ATOM 94 OE1 GLU A 7 -11.594 18.951 -5.055 1.00 0.00 O ATOM 95 OE2 GLU A 7 -12.365 20.673 -3.834 1.00 0.00 O ATOM 0 H GLU A 7 -13.710 17.626 -1.680 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.528 16.672 -3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.515 16.977 -3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.739 17.049 -5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.579 19.156 -4.412 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.882 18.968 -2.815 1.00 0.00 H new ATOM 102 N GLN A 8 -13.297 14.620 -2.354 1.00 0.00 N ATOM 103 CA GLN A 8 -13.016 13.225 -2.220 1.00 0.00 C ATOM 104 C GLN A 8 -14.131 12.463 -1.591 1.00 0.00 C ATOM 105 O GLN A 8 -14.533 11.425 -2.113 1.00 0.00 O ATOM 106 CB GLN A 8 -11.669 12.955 -1.528 1.00 0.00 C ATOM 107 CG GLN A 8 -10.435 13.540 -2.217 1.00 0.00 C ATOM 108 CD GLN A 8 -9.278 13.597 -1.230 1.00 0.00 C ATOM 109 OE1 GLN A 8 -9.395 14.073 -0.102 1.00 0.00 O ATOM 110 NE2 GLN A 8 -8.148 12.952 -1.626 1.00 0.00 N ATOM 0 H GLN A 8 -12.763 15.223 -1.728 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.925 12.847 -3.238 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.717 13.352 -0.514 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.536 11.877 -1.442 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.162 12.929 -3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.655 14.539 -2.593 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.083 12.569 -2.569 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.365 12.852 -0.980 1.00 0.00 H new ATOM 119 N ILE A 9 -14.817 12.987 -0.559 1.00 0.00 N ATOM 120 CA ILE A 9 -16.027 12.433 -0.037 1.00 0.00 C ATOM 121 C ILE A 9 -17.156 12.394 -1.009 1.00 0.00 C ATOM 122 O ILE A 9 -17.846 11.387 -1.163 1.00 0.00 O ATOM 123 CB ILE A 9 -16.336 13.137 1.251 1.00 0.00 C ATOM 124 CG1 ILE A 9 -15.274 12.919 2.341 1.00 0.00 C ATOM 125 CG2 ILE A 9 -17.710 12.699 1.786 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.367 13.897 3.512 1.00 0.00 C ATOM 0 H ILE A 9 -14.516 13.830 -0.069 1.00 0.00 H new ATOM 0 HA ILE A 9 -15.877 11.372 0.166 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.340 14.201 1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.366 11.902 2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -14.285 13.002 1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -17.919 13.219 2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -18.480 12.944 1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -17.706 11.623 1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.583 13.674 4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.244 14.916 3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.341 13.799 3.991 1.00 0.00 H new ATOM 138 N ALA A 10 -17.323 13.481 -1.782 1.00 0.00 N ATOM 139 CA ALA A 10 -18.218 13.442 -2.896 1.00 0.00 C ATOM 140 C ALA A 10 -17.985 12.456 -3.989 1.00 0.00 C ATOM 141 O ALA A 10 -18.911 11.847 -4.523 1.00 0.00 O ATOM 142 CB ALA A 10 -18.317 14.862 -3.478 1.00 0.00 C ATOM 0 H ALA A 10 -16.848 14.372 -1.640 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.147 13.068 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.995 14.859 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.696 15.542 -2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.330 15.193 -3.801 1.00 0.00 H new ATOM 148 N GLU A 11 -16.733 12.132 -4.358 1.00 0.00 N ATOM 149 CA GLU A 11 -16.385 11.097 -5.281 1.00 0.00 C ATOM 150 C GLU A 11 -16.687 9.769 -4.676 1.00 0.00 C ATOM 151 O GLU A 11 -17.280 8.909 -5.326 1.00 0.00 O ATOM 152 CB GLU A 11 -14.913 11.239 -5.702 1.00 0.00 C ATOM 153 CG GLU A 11 -14.820 12.341 -6.759 1.00 0.00 C ATOM 154 CD GLU A 11 -13.475 12.315 -7.472 1.00 0.00 C ATOM 155 OE1 GLU A 11 -13.114 11.393 -8.251 1.00 0.00 O ATOM 156 OE2 GLU A 11 -12.760 13.337 -7.296 1.00 0.00 O ATOM 0 H GLU A 11 -15.917 12.621 -3.990 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.982 11.184 -6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.294 11.487 -4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.540 10.296 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.622 12.218 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.965 13.313 -6.287 1.00 0.00 H new ATOM 163 N PHE A 12 -16.287 9.534 -3.413 1.00 0.00 N ATOM 164 CA PHE A 12 -16.454 8.308 -2.697 1.00 0.00 C ATOM 165 C PHE A 12 -17.897 7.986 -2.509 1.00 0.00 C ATOM 166 O PHE A 12 -18.265 6.822 -2.358 1.00 0.00 O ATOM 167 CB PHE A 12 -15.788 8.386 -1.312 1.00 0.00 C ATOM 168 CG PHE A 12 -14.312 8.591 -1.306 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.470 8.468 -2.386 1.00 0.00 C ATOM 170 CD2 PHE A 12 -13.744 8.962 -0.111 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.108 8.640 -2.301 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.387 9.151 0.015 1.00 0.00 C ATOM 173 CZ PHE A 12 -11.570 8.939 -1.071 1.00 0.00 C ATOM 0 H PHE A 12 -15.816 10.248 -2.857 1.00 0.00 H new ATOM 0 HA PHE A 12 -15.981 7.526 -3.291 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.250 9.201 -0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.009 7.465 -0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.899 8.225 -3.347 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.378 9.109 0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.480 8.543 -3.174 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -11.967 9.463 0.959 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.498 9.008 -0.957 1.00 0.00 H new ATOM 183 N LYS A 13 -18.804 8.965 -2.342 1.00 0.00 N ATOM 184 CA LYS A 13 -20.220 8.859 -2.509 1.00 0.00 C ATOM 185 C LYS A 13 -20.695 8.458 -3.863 1.00 0.00 C ATOM 186 O LYS A 13 -21.526 7.560 -3.992 1.00 0.00 O ATOM 187 CB LYS A 13 -20.812 10.237 -2.166 1.00 0.00 C ATOM 188 CG LYS A 13 -22.336 10.252 -2.037 1.00 0.00 C ATOM 189 CD LYS A 13 -22.909 11.600 -1.593 1.00 0.00 C ATOM 190 CE LYS A 13 -24.414 11.872 -1.636 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.214 10.956 -0.792 1.00 0.00 N ATOM 0 H LYS A 13 -18.522 9.906 -2.068 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.550 8.053 -1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.376 10.584 -1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.517 10.948 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -22.775 9.981 -2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.638 9.487 -1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.585 11.761 -0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.429 12.366 -2.202 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.597 12.898 -1.316 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -24.758 11.793 -2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -26.222 11.201 -0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -25.070 9.976 -1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.914 11.046 0.200 1.00 0.00 H new ATOM 205 N GLU A 14 -20.163 8.981 -4.982 1.00 0.00 N ATOM 206 CA GLU A 14 -20.597 8.437 -6.232 1.00 0.00 C ATOM 207 C GLU A 14 -20.050 7.080 -6.512 1.00 0.00 C ATOM 208 O GLU A 14 -20.738 6.254 -7.110 1.00 0.00 O ATOM 209 CB GLU A 14 -20.133 9.375 -7.359 1.00 0.00 C ATOM 210 CG GLU A 14 -20.843 10.729 -7.401 1.00 0.00 C ATOM 211 CD GLU A 14 -22.111 10.778 -8.241 1.00 0.00 C ATOM 212 OE1 GLU A 14 -22.328 10.211 -9.346 1.00 0.00 O ATOM 213 OE2 GLU A 14 -23.047 11.406 -7.677 1.00 0.00 O ATOM 0 H GLU A 14 -19.475 9.733 -5.027 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.682 8.349 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.062 9.546 -7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.282 8.873 -8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -21.092 11.021 -6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.145 11.474 -7.784 1.00 0.00 H new ATOM 220 N ALA A 15 -18.833 6.798 -6.014 1.00 0.00 N ATOM 221 CA ALA A 15 -18.228 5.503 -6.049 1.00 0.00 C ATOM 222 C ALA A 15 -19.014 4.442 -5.358 1.00 0.00 C ATOM 223 O ALA A 15 -19.047 3.298 -5.808 1.00 0.00 O ATOM 224 CB ALA A 15 -16.785 5.494 -5.516 1.00 0.00 C ATOM 0 H ALA A 15 -18.246 7.503 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.212 5.264 -7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.384 4.482 -5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.170 6.161 -6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.778 5.833 -4.480 1.00 0.00 H new ATOM 230 N PHE A 16 -19.616 4.799 -4.210 1.00 0.00 N ATOM 231 CA PHE A 16 -20.501 3.994 -3.427 1.00 0.00 C ATOM 232 C PHE A 16 -21.734 3.560 -4.142 1.00 0.00 C ATOM 233 O PHE A 16 -22.235 2.438 -4.093 1.00 0.00 O ATOM 234 CB PHE A 16 -20.911 4.808 -2.188 1.00 0.00 C ATOM 235 CG PHE A 16 -21.627 4.064 -1.114 1.00 0.00 C ATOM 236 CD1 PHE A 16 -21.012 3.074 -0.384 1.00 0.00 C ATOM 237 CD2 PHE A 16 -22.918 4.426 -0.811 1.00 0.00 C ATOM 238 CE1 PHE A 16 -21.661 2.475 0.669 1.00 0.00 C ATOM 239 CE2 PHE A 16 -23.516 3.825 0.271 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.959 2.795 0.992 1.00 0.00 C ATOM 0 H PHE A 16 -19.472 5.721 -3.799 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.960 3.082 -3.174 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.013 5.250 -1.757 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.546 5.631 -2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -20.010 2.764 -0.641 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.445 5.159 -1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -21.139 1.735 1.257 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -24.488 4.186 0.575 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.506 2.271 1.762 1.00 0.00 H new ATOM 250 N SER A 17 -22.340 4.536 -4.841 1.00 0.00 N ATOM 251 CA SER A 17 -23.460 4.261 -5.687 1.00 0.00 C ATOM 252 C SER A 17 -23.180 3.356 -6.838 1.00 0.00 C ATOM 253 O SER A 17 -23.999 2.491 -7.146 1.00 0.00 O ATOM 254 CB SER A 17 -24.021 5.597 -6.201 1.00 0.00 C ATOM 255 OG SER A 17 -24.194 6.562 -5.174 1.00 0.00 O ATOM 0 H SER A 17 -22.055 5.515 -4.821 1.00 0.00 H new ATOM 0 HA SER A 17 -24.181 3.720 -5.074 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.348 5.999 -6.959 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.980 5.418 -6.688 1.00 0.00 H new ATOM 0 HG SER A 17 -23.326 6.957 -4.947 1.00 0.00 H new ATOM 261 N LEU A 18 -21.999 3.457 -7.473 1.00 0.00 N ATOM 262 CA LEU A 18 -21.499 2.662 -8.551 1.00 0.00 C ATOM 263 C LEU A 18 -21.282 1.229 -8.204 1.00 0.00 C ATOM 264 O LEU A 18 -21.468 0.391 -9.085 1.00 0.00 O ATOM 265 CB LEU A 18 -20.139 3.185 -9.043 1.00 0.00 C ATOM 266 CG LEU A 18 -20.358 4.422 -9.930 1.00 0.00 C ATOM 267 CD1 LEU A 18 -19.093 5.267 -10.158 1.00 0.00 C ATOM 268 CD2 LEU A 18 -20.945 4.114 -11.318 1.00 0.00 C ATOM 0 H LEU A 18 -21.325 4.172 -7.200 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.275 2.737 -9.312 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.506 3.441 -8.193 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.620 2.408 -9.605 1.00 0.00 H new ATOM 0 HG LEU A 18 -21.082 4.987 -9.342 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -19.334 6.119 -10.793 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.716 5.624 -9.200 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.331 4.657 -10.643 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -21.066 5.042 -11.876 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.270 3.451 -11.859 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -21.915 3.630 -11.204 1.00 0.00 H new ATOM 280 N PHE A 19 -21.026 0.968 -6.910 1.00 0.00 N ATOM 281 CA PHE A 19 -20.843 -0.302 -6.278 1.00 0.00 C ATOM 282 C PHE A 19 -22.073 -1.142 -6.241 1.00 0.00 C ATOM 283 O PHE A 19 -22.014 -2.343 -6.501 1.00 0.00 O ATOM 284 CB PHE A 19 -20.169 -0.118 -4.908 1.00 0.00 C ATOM 285 CG PHE A 19 -18.849 -0.785 -4.724 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.769 -2.156 -4.797 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.705 -0.043 -4.545 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.527 -2.727 -4.653 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.488 -0.651 -4.345 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.376 -2.021 -4.392 1.00 0.00 C ATOM 0 H PHE A 19 -20.938 1.730 -6.237 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.165 -0.886 -6.901 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.040 0.950 -4.732 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.849 -0.488 -4.140 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.648 -2.761 -4.961 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -17.763 1.035 -4.562 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.450 -3.800 -4.751 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.613 -0.048 -4.150 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.431 -2.518 -4.232 1.00 0.00 H new ATOM 300 N ASP A 20 -23.231 -0.533 -5.930 1.00 0.00 N ATOM 301 CA ASP A 20 -24.432 -1.189 -5.514 1.00 0.00 C ATOM 302 C ASP A 20 -25.130 -1.799 -6.680 1.00 0.00 C ATOM 303 O ASP A 20 -25.247 -1.118 -7.697 1.00 0.00 O ATOM 304 CB ASP A 20 -25.370 -0.244 -4.745 1.00 0.00 C ATOM 305 CG ASP A 20 -26.269 -1.065 -3.832 1.00 0.00 C ATOM 306 OD1 ASP A 20 -27.272 -1.679 -4.283 1.00 0.00 O ATOM 307 OD2 ASP A 20 -25.992 -1.189 -2.609 1.00 0.00 O ATOM 0 H ASP A 20 -23.335 0.481 -5.972 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.146 -1.985 -4.826 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.788 0.467 -4.159 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.973 0.336 -5.443 1.00 0.00 H new ATOM 312 N LYS A 21 -25.739 -2.988 -6.519 1.00 0.00 N ATOM 313 CA LYS A 21 -26.519 -3.688 -7.492 1.00 0.00 C ATOM 314 C LYS A 21 -27.978 -3.581 -7.213 1.00 0.00 C ATOM 315 O LYS A 21 -28.726 -3.195 -8.111 1.00 0.00 O ATOM 316 CB LYS A 21 -26.122 -5.174 -7.453 1.00 0.00 C ATOM 317 CG LYS A 21 -26.308 -6.032 -8.706 1.00 0.00 C ATOM 318 CD LYS A 21 -25.332 -5.776 -9.855 1.00 0.00 C ATOM 319 CE LYS A 21 -25.880 -6.188 -11.223 1.00 0.00 C ATOM 320 NZ LYS A 21 -24.840 -6.109 -12.273 1.00 0.00 N ATOM 0 H LYS A 21 -25.680 -3.499 -5.638 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.326 -3.245 -8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.069 -5.225 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.688 -5.643 -6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.229 -7.080 -8.417 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -27.321 -5.879 -9.078 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.079 -4.716 -9.878 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -24.407 -6.320 -9.664 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.267 -7.206 -11.169 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -26.717 -5.543 -11.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -25.247 -6.395 -13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -24.489 -5.132 -12.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.053 -6.744 -12.030 1.00 0.00 H new ATOM 334 N ASP A 22 -28.550 -3.831 -6.022 1.00 0.00 N ATOM 335 CA ASP A 22 -29.942 -3.723 -5.714 1.00 0.00 C ATOM 336 C ASP A 22 -30.522 -2.351 -5.776 1.00 0.00 C ATOM 337 O ASP A 22 -31.716 -2.111 -5.946 1.00 0.00 O ATOM 338 CB ASP A 22 -30.277 -4.231 -4.302 1.00 0.00 C ATOM 339 CG ASP A 22 -29.308 -5.281 -3.777 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.122 -4.950 -3.512 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.725 -6.460 -3.622 1.00 0.00 O ATOM 0 H ASP A 22 -27.999 -4.130 -5.217 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.379 -4.336 -6.502 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.287 -3.385 -3.615 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.283 -4.650 -4.307 1.00 0.00 H new ATOM 346 N GLY A 23 -29.573 -1.420 -5.574 1.00 0.00 N ATOM 347 CA GLY A 23 -29.597 -0.006 -5.790 1.00 0.00 C ATOM 348 C GLY A 23 -29.974 0.782 -4.583 1.00 0.00 C ATOM 349 O GLY A 23 -30.390 1.930 -4.728 1.00 0.00 O ATOM 0 H GLY A 23 -28.664 -1.704 -5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.613 0.317 -6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.300 0.217 -6.592 1.00 0.00 H new ATOM 353 N ASP A 24 -29.862 0.162 -3.394 1.00 0.00 N ATOM 354 CA ASP A 24 -30.323 0.607 -2.116 1.00 0.00 C ATOM 355 C ASP A 24 -29.433 1.553 -1.385 1.00 0.00 C ATOM 356 O ASP A 24 -29.934 2.448 -0.706 1.00 0.00 O ATOM 357 CB ASP A 24 -30.630 -0.594 -1.206 1.00 0.00 C ATOM 358 CG ASP A 24 -29.569 -1.618 -0.828 1.00 0.00 C ATOM 359 OD1 ASP A 24 -29.079 -2.340 -1.736 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.167 -1.694 0.364 1.00 0.00 O ATOM 0 H ASP A 24 -29.400 -0.745 -3.325 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.221 1.178 -2.351 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.020 -0.188 -0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.443 -1.145 -1.678 1.00 0.00 H new ATOM 365 N GLY A 25 -28.109 1.392 -1.558 1.00 0.00 N ATOM 366 CA GLY A 25 -27.068 2.154 -0.942 1.00 0.00 C ATOM 367 C GLY A 25 -26.575 1.448 0.274 1.00 0.00 C ATOM 368 O GLY A 25 -26.300 2.048 1.312 1.00 0.00 O ATOM 0 H GLY A 25 -27.739 0.672 -2.178 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.248 2.301 -1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -27.439 3.143 -0.674 1.00 0.00 H new ATOM 372 N THR A 26 -26.399 0.122 0.140 1.00 0.00 N ATOM 373 CA THR A 26 -25.752 -0.554 1.222 1.00 0.00 C ATOM 374 C THR A 26 -25.074 -1.733 0.613 1.00 0.00 C ATOM 375 O THR A 26 -25.685 -2.517 -0.111 1.00 0.00 O ATOM 376 CB THR A 26 -26.614 -1.063 2.339 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.901 -0.466 2.280 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.885 -0.578 3.604 1.00 0.00 C ATOM 0 H THR A 26 -26.681 -0.450 -0.656 1.00 0.00 H new ATOM 0 HA THR A 26 -25.108 0.187 1.695 1.00 0.00 H new ATOM 0 HB THR A 26 -26.757 -2.143 2.303 1.00 0.00 H new ATOM 0 HG1 THR A 26 -28.500 -1.032 1.750 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.436 -0.899 4.488 1.00 0.00 H new ATOM 0 HG22 THR A 26 -24.881 -1.000 3.630 1.00 0.00 H new ATOM 0 HG23 THR A 26 -25.821 0.510 3.592 1.00 0.00 H new ATOM 386 N ILE A 27 -23.768 -1.916 0.877 1.00 0.00 N ATOM 387 CA ILE A 27 -22.920 -2.857 0.213 1.00 0.00 C ATOM 388 C ILE A 27 -22.703 -4.112 0.986 1.00 0.00 C ATOM 389 O ILE A 27 -22.206 -4.152 2.110 1.00 0.00 O ATOM 390 CB ILE A 27 -21.554 -2.468 -0.270 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.600 -0.986 -0.677 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.114 -3.375 -1.431 1.00 0.00 C ATOM 393 CD1 ILE A 27 -20.157 -0.507 -0.836 1.00 0.00 C ATOM 0 H ILE A 27 -23.278 -1.379 1.592 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.543 -2.958 -0.676 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.814 -2.598 0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -22.150 -0.862 -1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -22.118 -0.397 0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.121 -3.078 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -21.088 -4.411 -1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.821 -3.280 -2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -20.152 0.544 -1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.628 -0.625 0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.660 -1.098 -1.606 1.00 0.00 H new ATOM 405 N THR A 28 -23.091 -5.276 0.434 1.00 0.00 N ATOM 406 CA THR A 28 -22.878 -6.583 0.972 1.00 0.00 C ATOM 407 C THR A 28 -21.588 -7.181 0.525 1.00 0.00 C ATOM 408 O THR A 28 -20.950 -6.646 -0.380 1.00 0.00 O ATOM 409 CB THR A 28 -23.965 -7.524 0.542 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.100 -7.651 -0.866 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.325 -6.924 0.933 1.00 0.00 C ATOM 0 H THR A 28 -23.591 -5.303 -0.455 1.00 0.00 H new ATOM 0 HA THR A 28 -22.869 -6.455 2.054 1.00 0.00 H new ATOM 0 HB THR A 28 -23.703 -8.476 1.004 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.535 -6.850 -1.227 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.123 -7.600 0.625 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.364 -6.785 2.013 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.454 -5.961 0.438 1.00 0.00 H new ATOM 419 N THR A 29 -21.286 -8.389 1.033 1.00 0.00 N ATOM 420 CA THR A 29 -20.204 -9.234 0.632 1.00 0.00 C ATOM 421 C THR A 29 -20.309 -9.781 -0.750 1.00 0.00 C ATOM 422 O THR A 29 -19.288 -9.878 -1.429 1.00 0.00 O ATOM 423 CB THR A 29 -20.007 -10.429 1.517 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.394 -10.102 2.844 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.529 -10.849 1.459 1.00 0.00 C ATOM 0 H THR A 29 -21.841 -8.805 1.781 1.00 0.00 H new ATOM 0 HA THR A 29 -19.364 -8.542 0.701 1.00 0.00 H new ATOM 0 HB THR A 29 -20.623 -11.262 1.178 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.267 -10.882 3.423 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.372 -11.718 2.099 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.262 -11.101 0.433 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.903 -10.026 1.805 1.00 0.00 H new ATOM 433 N LYS A 30 -21.496 -10.014 -1.338 1.00 0.00 N ATOM 434 CA LYS A 30 -21.685 -10.464 -2.682 1.00 0.00 C ATOM 435 C LYS A 30 -21.244 -9.364 -3.584 1.00 0.00 C ATOM 436 O LYS A 30 -20.596 -9.694 -4.576 1.00 0.00 O ATOM 437 CB LYS A 30 -23.147 -10.738 -3.073 1.00 0.00 C ATOM 438 CG LYS A 30 -23.819 -11.909 -2.352 1.00 0.00 C ATOM 439 CD LYS A 30 -25.161 -12.309 -2.968 1.00 0.00 C ATOM 440 CE LYS A 30 -26.364 -11.464 -2.543 1.00 0.00 C ATOM 441 NZ LYS A 30 -27.594 -11.824 -3.283 1.00 0.00 N ATOM 0 H LYS A 30 -22.378 -9.880 -0.844 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.128 -11.397 -2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.729 -9.836 -2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.188 -10.924 -4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.149 -12.769 -2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.972 -11.643 -1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.071 -12.260 -4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.362 -13.349 -2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -26.535 -11.592 -1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -26.140 -10.410 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -28.381 -11.225 -2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -27.442 -11.677 -4.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -27.825 -12.823 -3.108 1.00 0.00 H new ATOM 455 N GLU A 31 -21.705 -8.129 -3.315 1.00 0.00 N ATOM 456 CA GLU A 31 -21.563 -7.009 -4.192 1.00 0.00 C ATOM 457 C GLU A 31 -20.126 -6.617 -4.203 1.00 0.00 C ATOM 458 O GLU A 31 -19.475 -6.505 -5.241 1.00 0.00 O ATOM 459 CB GLU A 31 -22.432 -5.877 -3.616 1.00 0.00 C ATOM 460 CG GLU A 31 -23.893 -6.070 -4.028 1.00 0.00 C ATOM 461 CD GLU A 31 -24.799 -5.041 -3.366 1.00 0.00 C ATOM 462 OE1 GLU A 31 -25.182 -5.214 -2.178 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.176 -4.093 -4.105 1.00 0.00 O ATOM 0 H GLU A 31 -22.197 -7.902 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.876 -7.233 -5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.352 -5.864 -2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.070 -4.913 -3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.980 -5.990 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.220 -7.073 -3.755 1.00 0.00 H new ATOM 470 N LEU A 32 -19.434 -6.623 -3.050 1.00 0.00 N ATOM 471 CA LEU A 32 -18.032 -6.358 -2.953 1.00 0.00 C ATOM 472 C LEU A 32 -17.100 -7.412 -3.444 1.00 0.00 C ATOM 473 O LEU A 32 -16.002 -7.053 -3.867 1.00 0.00 O ATOM 474 CB LEU A 32 -17.744 -6.000 -1.486 1.00 0.00 C ATOM 475 CG LEU A 32 -16.371 -5.384 -1.167 1.00 0.00 C ATOM 476 CD1 LEU A 32 -16.369 -3.864 -1.403 1.00 0.00 C ATOM 477 CD2 LEU A 32 -16.105 -5.562 0.337 1.00 0.00 C ATOM 0 H LEU A 32 -19.869 -6.820 -2.149 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.824 -5.540 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.512 -5.303 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.854 -6.906 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.631 -5.870 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.384 -3.461 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.606 -3.658 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.115 -3.395 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.135 -5.132 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.885 -5.056 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.106 -6.624 0.584 1.00 0.00 H new ATOM 489 N GLY A 33 -17.489 -8.697 -3.371 1.00 0.00 N ATOM 490 CA GLY A 33 -16.749 -9.758 -3.980 1.00 0.00 C ATOM 491 C GLY A 33 -16.813 -9.814 -5.468 1.00 0.00 C ATOM 492 O GLY A 33 -15.848 -10.246 -6.096 1.00 0.00 O ATOM 0 H GLY A 33 -18.330 -9.004 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.705 -9.667 -3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.112 -10.706 -3.582 1.00 0.00 H new ATOM 496 N THR A 34 -17.988 -9.488 -6.034 1.00 0.00 N ATOM 497 CA THR A 34 -18.193 -9.515 -7.449 1.00 0.00 C ATOM 498 C THR A 34 -17.326 -8.592 -8.234 1.00 0.00 C ATOM 499 O THR A 34 -16.696 -9.041 -9.190 1.00 0.00 O ATOM 500 CB THR A 34 -19.656 -9.370 -7.745 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.428 -10.494 -7.347 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.843 -9.250 -9.267 1.00 0.00 C ATOM 0 H THR A 34 -18.809 -9.201 -5.501 1.00 0.00 H new ATOM 0 HA THR A 34 -17.861 -10.491 -7.801 1.00 0.00 H new ATOM 0 HB THR A 34 -19.992 -8.493 -7.191 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.617 -10.437 -6.387 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.903 -9.144 -9.496 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.304 -8.376 -9.632 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.455 -10.145 -9.753 1.00 0.00 H new ATOM 510 N VAL A 35 -17.228 -7.336 -7.762 1.00 0.00 N ATOM 511 CA VAL A 35 -16.532 -6.292 -8.447 1.00 0.00 C ATOM 512 C VAL A 35 -15.048 -6.424 -8.432 1.00 0.00 C ATOM 513 O VAL A 35 -14.393 -6.379 -9.473 1.00 0.00 O ATOM 514 CB VAL A 35 -17.046 -4.988 -7.913 1.00 0.00 C ATOM 515 CG1 VAL A 35 -16.171 -3.797 -8.340 1.00 0.00 C ATOM 516 CG2 VAL A 35 -18.504 -4.937 -8.399 1.00 0.00 C ATOM 0 H VAL A 35 -17.644 -7.039 -6.880 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.742 -6.356 -9.515 1.00 0.00 H new ATOM 0 HB VAL A 35 -17.004 -4.917 -6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.584 -2.876 -7.929 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -15.157 -3.938 -7.966 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.151 -3.732 -9.428 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.970 -4.013 -8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -18.526 -4.972 -9.488 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.051 -5.790 -7.997 1.00 0.00 H new ATOM 526 N MET A 36 -14.489 -6.800 -7.268 1.00 0.00 N ATOM 527 CA MET A 36 -13.151 -7.256 -7.054 1.00 0.00 C ATOM 528 C MET A 36 -12.656 -8.332 -7.957 1.00 0.00 C ATOM 529 O MET A 36 -11.586 -8.343 -8.564 1.00 0.00 O ATOM 530 CB MET A 36 -12.806 -7.702 -5.623 1.00 0.00 C ATOM 531 CG MET A 36 -12.885 -6.498 -4.682 1.00 0.00 C ATOM 532 SD MET A 36 -12.669 -7.173 -3.007 1.00 0.00 S ATOM 533 CE MET A 36 -12.498 -5.581 -2.150 1.00 0.00 C ATOM 0 H MET A 36 -15.024 -6.782 -6.400 1.00 0.00 H new ATOM 0 HA MET A 36 -12.640 -6.322 -7.289 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.497 -8.479 -5.296 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.805 -8.133 -5.596 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.110 -5.768 -4.914 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.843 -5.987 -4.778 1.00 0.00 H new ATOM 0 HE1 MET A 36 -12.353 -5.755 -1.084 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.639 -5.043 -2.550 1.00 0.00 H new ATOM 0 HE3 MET A 36 -13.400 -4.988 -2.301 1.00 0.00 H new ATOM 543 N ARG A 37 -13.519 -9.362 -8.025 1.00 0.00 N ATOM 544 CA ARG A 37 -13.262 -10.494 -8.860 1.00 0.00 C ATOM 545 C ARG A 37 -13.339 -10.195 -10.318 1.00 0.00 C ATOM 546 O ARG A 37 -12.662 -10.749 -11.183 1.00 0.00 O ATOM 547 CB ARG A 37 -14.171 -11.680 -8.496 1.00 0.00 C ATOM 548 CG ARG A 37 -13.841 -13.019 -9.157 1.00 0.00 C ATOM 549 CD ARG A 37 -12.413 -13.517 -8.923 1.00 0.00 C ATOM 550 NE ARG A 37 -12.200 -14.750 -9.732 1.00 0.00 N ATOM 551 CZ ARG A 37 -12.438 -16.011 -9.268 1.00 0.00 C ATOM 552 NH1 ARG A 37 -13.268 -16.237 -8.209 1.00 0.00 N ATOM 553 NH2 ARG A 37 -11.890 -17.038 -9.981 1.00 0.00 N ATOM 0 H ARG A 37 -14.394 -9.411 -7.502 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.227 -10.772 -8.662 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -14.139 -11.816 -7.415 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.197 -11.416 -8.754 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.538 -13.772 -8.788 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.008 -12.929 -10.230 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.693 -12.749 -9.207 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.254 -13.727 -7.865 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.857 -14.646 -10.687 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.727 -15.453 -7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.429 -17.189 -7.882 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.335 -16.841 -10.814 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.035 -18.002 -9.681 1.00 0.00 H new ATOM 567 N SER A 38 -14.178 -9.218 -10.705 1.00 0.00 N ATOM 568 CA SER A 38 -14.211 -8.675 -12.027 1.00 0.00 C ATOM 569 C SER A 38 -13.075 -7.781 -12.387 1.00 0.00 C ATOM 570 O SER A 38 -13.013 -7.280 -13.509 1.00 0.00 O ATOM 571 CB SER A 38 -15.484 -7.861 -12.312 1.00 0.00 C ATOM 572 OG SER A 38 -16.660 -8.652 -12.228 1.00 0.00 O ATOM 0 H SER A 38 -14.857 -8.791 -10.075 1.00 0.00 H new ATOM 0 HA SER A 38 -14.160 -9.582 -12.629 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.552 -7.037 -11.602 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.416 -7.420 -13.307 1.00 0.00 H new ATOM 0 HG SER A 38 -16.825 -8.895 -11.293 1.00 0.00 H new ATOM 578 N LEU A 39 -12.166 -7.464 -11.447 1.00 0.00 N ATOM 579 CA LEU A 39 -10.957 -6.723 -11.630 1.00 0.00 C ATOM 580 C LEU A 39 -9.810 -7.674 -11.631 1.00 0.00 C ATOM 581 O LEU A 39 -8.688 -7.173 -11.691 1.00 0.00 O ATOM 582 CB LEU A 39 -10.730 -5.716 -10.490 1.00 0.00 C ATOM 583 CG LEU A 39 -11.675 -4.502 -10.524 1.00 0.00 C ATOM 584 CD1 LEU A 39 -11.372 -3.610 -9.308 1.00 0.00 C ATOM 585 CD2 LEU A 39 -11.572 -3.658 -11.805 1.00 0.00 C ATOM 0 H LEU A 39 -12.290 -7.752 -10.476 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.035 -6.179 -12.571 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.851 -6.230 -9.537 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.700 -5.362 -10.533 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.691 -4.895 -10.500 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.034 -2.744 -9.318 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.531 -4.178 -8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.336 -3.275 -9.352 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.271 -2.823 -11.748 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.557 -3.275 -11.908 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.816 -4.277 -12.669 1.00 0.00 H new ATOM 597 N GLY A 40 -10.002 -9.002 -11.543 1.00 0.00 N ATOM 598 CA GLY A 40 -8.905 -9.897 -11.741 1.00 0.00 C ATOM 599 C GLY A 40 -8.296 -10.323 -10.449 1.00 0.00 C ATOM 600 O GLY A 40 -7.288 -11.018 -10.337 1.00 0.00 O ATOM 0 H GLY A 40 -10.896 -9.449 -11.339 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.247 -10.775 -12.288 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.148 -9.412 -12.357 1.00 0.00 H new ATOM 604 N GLN A 41 -8.906 -9.843 -9.350 1.00 0.00 N ATOM 605 CA GLN A 41 -8.376 -10.116 -8.050 1.00 0.00 C ATOM 606 C GLN A 41 -9.074 -11.309 -7.494 1.00 0.00 C ATOM 607 O GLN A 41 -9.948 -11.887 -8.139 1.00 0.00 O ATOM 608 CB GLN A 41 -8.710 -9.010 -7.034 1.00 0.00 C ATOM 609 CG GLN A 41 -8.208 -7.699 -7.643 1.00 0.00 C ATOM 610 CD GLN A 41 -8.194 -6.620 -6.569 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.039 -6.962 -5.398 1.00 0.00 O ATOM 612 NE2 GLN A 41 -8.351 -5.309 -6.894 1.00 0.00 N ATOM 0 H GLN A 41 -9.753 -9.275 -9.360 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.299 -10.227 -8.177 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.783 -8.966 -6.847 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.227 -9.204 -6.076 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.207 -7.834 -8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.852 -7.398 -8.469 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.479 -5.037 -7.869 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.341 -4.598 -6.163 1.00 0.00 H new ATOM 621 N ASN A 42 -8.681 -11.827 -6.317 1.00 0.00 N ATOM 622 CA ASN A 42 -9.108 -13.090 -5.800 1.00 0.00 C ATOM 623 C ASN A 42 -9.457 -13.004 -4.354 1.00 0.00 C ATOM 624 O ASN A 42 -8.725 -13.548 -3.529 1.00 0.00 O ATOM 625 CB ASN A 42 -8.062 -14.170 -6.124 1.00 0.00 C ATOM 626 CG ASN A 42 -8.140 -14.526 -7.602 1.00 0.00 C ATOM 627 OD1 ASN A 42 -9.107 -15.041 -8.160 1.00 0.00 O ATOM 628 ND2 ASN A 42 -6.969 -14.370 -8.276 1.00 0.00 N ATOM 0 H ASN A 42 -8.034 -11.341 -5.696 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.033 -13.387 -6.295 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.063 -13.809 -5.878 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.239 -15.057 -5.516 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.893 -14.680 -9.245 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.167 -13.943 -7.813 1.00 0.00 H new ATOM 635 N PRO A 43 -10.503 -12.362 -3.926 1.00 0.00 N ATOM 636 CA PRO A 43 -11.003 -12.442 -2.584 1.00 0.00 C ATOM 637 C PRO A 43 -11.696 -13.708 -2.213 1.00 0.00 C ATOM 638 O PRO A 43 -12.086 -14.477 -3.090 1.00 0.00 O ATOM 639 CB PRO A 43 -12.109 -11.391 -2.526 1.00 0.00 C ATOM 640 CG PRO A 43 -12.644 -11.276 -3.962 1.00 0.00 C ATOM 641 CD PRO A 43 -11.428 -11.675 -4.814 1.00 0.00 C ATOM 0 HA PRO A 43 -10.144 -12.334 -1.921 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.898 -11.690 -1.836 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.723 -10.435 -2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.492 -11.940 -4.132 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.981 -10.264 -4.188 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.728 -12.323 -5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.959 -10.795 -5.256 1.00 0.00 H new ATOM 649 N THR A 44 -11.864 -13.940 -0.899 1.00 0.00 N ATOM 650 CA THR A 44 -12.639 -14.952 -0.250 1.00 0.00 C ATOM 651 C THR A 44 -13.559 -14.330 0.743 1.00 0.00 C ATOM 652 O THR A 44 -13.371 -13.249 1.299 1.00 0.00 O ATOM 653 CB THR A 44 -11.828 -16.031 0.405 1.00 0.00 C ATOM 654 OG1 THR A 44 -10.877 -15.514 1.325 1.00 0.00 O ATOM 655 CG2 THR A 44 -11.019 -16.736 -0.696 1.00 0.00 C ATOM 0 H THR A 44 -11.400 -13.345 -0.213 1.00 0.00 H new ATOM 0 HA THR A 44 -13.205 -15.446 -1.040 1.00 0.00 H new ATOM 0 HB THR A 44 -12.517 -16.688 0.936 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.375 -16.254 1.727 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.416 -17.529 -0.253 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.701 -17.165 -1.430 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.366 -16.014 -1.186 1.00 0.00 H new ATOM 663 N GLU A 45 -14.679 -14.998 1.072 1.00 0.00 N ATOM 664 CA GLU A 45 -15.719 -14.487 1.910 1.00 0.00 C ATOM 665 C GLU A 45 -15.368 -14.182 3.325 1.00 0.00 C ATOM 666 O GLU A 45 -15.615 -13.112 3.879 1.00 0.00 O ATOM 667 CB GLU A 45 -16.928 -15.437 1.957 1.00 0.00 C ATOM 668 CG GLU A 45 -18.238 -14.708 2.260 1.00 0.00 C ATOM 669 CD GLU A 45 -19.256 -15.776 2.634 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.945 -16.348 1.748 1.00 0.00 O ATOM 671 OE2 GLU A 45 -19.502 -15.998 3.850 1.00 0.00 O ATOM 0 H GLU A 45 -14.868 -15.942 0.736 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.937 -13.537 1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.017 -15.954 1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.757 -16.200 2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.106 -13.997 3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.574 -14.140 1.393 1.00 0.00 H new ATOM 678 N ALA A 46 -14.632 -15.027 4.069 1.00 0.00 N ATOM 679 CA ALA A 46 -14.233 -14.737 5.412 1.00 0.00 C ATOM 680 C ALA A 46 -13.253 -13.626 5.566 1.00 0.00 C ATOM 681 O ALA A 46 -13.289 -12.869 6.534 1.00 0.00 O ATOM 682 CB ALA A 46 -13.684 -16.018 6.062 1.00 0.00 C ATOM 0 H ALA A 46 -14.307 -15.932 3.730 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.132 -14.383 5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.378 -15.804 7.086 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.459 -16.784 6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.825 -16.375 5.494 1.00 0.00 H new ATOM 688 N GLU A 47 -12.383 -13.392 4.568 1.00 0.00 N ATOM 689 CA GLU A 47 -11.567 -12.220 4.489 1.00 0.00 C ATOM 690 C GLU A 47 -12.282 -10.976 4.086 1.00 0.00 C ATOM 691 O GLU A 47 -11.921 -9.986 4.721 1.00 0.00 O ATOM 692 CB GLU A 47 -10.407 -12.366 3.491 1.00 0.00 C ATOM 693 CG GLU A 47 -9.369 -13.478 3.655 1.00 0.00 C ATOM 694 CD GLU A 47 -8.369 -13.250 4.780 1.00 0.00 C ATOM 695 OE1 GLU A 47 -7.563 -12.284 4.713 1.00 0.00 O ATOM 696 OE2 GLU A 47 -8.348 -14.052 5.751 1.00 0.00 O ATOM 0 H GLU A 47 -12.243 -14.038 3.791 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.216 -12.125 5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.849 -12.483 2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.866 -11.420 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.889 -14.419 3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.823 -13.589 2.718 1.00 0.00 H new ATOM 703 N LEU A 48 -13.211 -11.007 3.114 1.00 0.00 N ATOM 704 CA LEU A 48 -14.116 -9.951 2.779 1.00 0.00 C ATOM 705 C LEU A 48 -14.924 -9.574 3.973 1.00 0.00 C ATOM 706 O LEU A 48 -14.934 -8.402 4.348 1.00 0.00 O ATOM 707 CB LEU A 48 -15.033 -10.385 1.623 1.00 0.00 C ATOM 708 CG LEU A 48 -14.448 -10.345 0.202 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.556 -10.788 -0.768 1.00 0.00 C ATOM 710 CD2 LEU A 48 -13.930 -8.918 -0.045 1.00 0.00 C ATOM 0 H LEU A 48 -13.338 -11.827 2.521 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.543 -9.081 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.366 -11.404 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.919 -9.751 1.640 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.606 -11.021 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.174 -10.771 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.876 -11.799 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.404 -10.108 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.507 -8.853 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.754 -8.211 0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.162 -8.678 0.690 1.00 0.00 H new ATOM 722 N GLN A 49 -15.533 -10.536 4.689 1.00 0.00 N ATOM 723 CA GLN A 49 -16.235 -10.188 5.885 1.00 0.00 C ATOM 724 C GLN A 49 -15.393 -9.664 6.997 1.00 0.00 C ATOM 725 O GLN A 49 -15.833 -8.744 7.685 1.00 0.00 O ATOM 726 CB GLN A 49 -17.104 -11.336 6.426 1.00 0.00 C ATOM 727 CG GLN A 49 -18.186 -10.997 7.453 1.00 0.00 C ATOM 728 CD GLN A 49 -19.178 -9.940 6.990 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.884 -10.094 5.995 1.00 0.00 O ATOM 730 NE2 GLN A 49 -19.356 -8.924 7.876 1.00 0.00 N ATOM 0 H GLN A 49 -15.541 -11.527 4.450 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.867 -9.366 5.548 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.589 -11.816 5.576 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.439 -12.075 6.873 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.732 -11.907 7.702 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.706 -10.652 8.369 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.742 -8.841 8.686 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.103 -8.245 7.730 1.00 0.00 H new ATOM 739 N ASP A 50 -14.177 -10.204 7.190 1.00 0.00 N ATOM 740 CA ASP A 50 -13.254 -9.573 8.082 1.00 0.00 C ATOM 741 C ASP A 50 -12.857 -8.191 7.692 1.00 0.00 C ATOM 742 O ASP A 50 -13.029 -7.264 8.482 1.00 0.00 O ATOM 743 CB ASP A 50 -11.977 -10.416 8.244 1.00 0.00 C ATOM 744 CG ASP A 50 -11.083 -9.888 9.356 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.274 -10.264 10.544 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.139 -9.137 8.992 1.00 0.00 O ATOM 0 H ASP A 50 -13.838 -11.055 6.742 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.798 -9.499 9.023 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.250 -11.450 8.458 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.424 -10.420 7.305 1.00 0.00 H new ATOM 751 N MET A 51 -12.493 -7.867 6.439 1.00 0.00 N ATOM 752 CA MET A 51 -12.352 -6.513 6.002 1.00 0.00 C ATOM 753 C MET A 51 -13.535 -5.631 6.205 1.00 0.00 C ATOM 754 O MET A 51 -13.456 -4.430 6.458 1.00 0.00 O ATOM 755 CB MET A 51 -12.044 -6.588 4.497 1.00 0.00 C ATOM 756 CG MET A 51 -11.789 -5.318 3.683 1.00 0.00 C ATOM 757 SD MET A 51 -11.508 -5.629 1.914 1.00 0.00 S ATOM 758 CE MET A 51 -11.308 -3.855 1.583 1.00 0.00 C ATOM 0 H MET A 51 -12.293 -8.558 5.716 1.00 0.00 H new ATOM 0 HA MET A 51 -11.569 -6.057 6.608 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.166 -7.223 4.382 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.878 -7.108 4.025 1.00 0.00 H new ATOM 0 HG2 MET A 51 -12.642 -4.648 3.794 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.922 -4.801 4.094 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.927 -3.572 0.732 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.613 -3.285 2.460 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.263 -3.642 1.358 1.00 0.00 H new ATOM 768 N ILE A 52 -14.756 -6.173 6.045 1.00 0.00 N ATOM 769 CA ILE A 52 -16.000 -5.530 6.332 1.00 0.00 C ATOM 770 C ILE A 52 -16.179 -5.263 7.787 1.00 0.00 C ATOM 771 O ILE A 52 -16.324 -4.094 8.141 1.00 0.00 O ATOM 772 CB ILE A 52 -17.220 -6.300 5.920 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.449 -6.301 4.399 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.469 -5.602 6.485 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.088 -7.529 3.751 1.00 0.00 C ATOM 0 H ILE A 52 -14.881 -7.122 5.692 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.926 -4.614 5.746 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.065 -7.315 6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -18.072 -5.439 4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.483 -6.140 3.920 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.360 -6.156 6.190 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.406 -5.568 7.573 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.527 -4.586 6.093 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.178 -7.368 2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.464 -8.404 3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.078 -7.692 4.178 1.00 0.00 H new ATOM 787 N ASN A 53 -16.021 -6.238 8.699 1.00 0.00 N ATOM 788 CA ASN A 53 -16.144 -6.150 10.121 1.00 0.00 C ATOM 789 C ASN A 53 -15.306 -5.071 10.715 1.00 0.00 C ATOM 790 O ASN A 53 -15.628 -4.498 11.755 1.00 0.00 O ATOM 791 CB ASN A 53 -15.683 -7.434 10.832 1.00 0.00 C ATOM 792 CG ASN A 53 -16.739 -8.514 10.643 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.893 -8.228 10.330 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.420 -9.819 10.851 1.00 0.00 N ATOM 0 H ASN A 53 -15.782 -7.186 8.407 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.206 -5.957 10.271 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.728 -7.767 10.426 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.528 -7.241 11.894 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.133 -10.541 10.747 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.468 -10.076 11.111 1.00 0.00 H new ATOM 801 N GLU A 54 -14.120 -4.887 10.106 1.00 0.00 N ATOM 802 CA GLU A 54 -13.181 -3.906 10.554 1.00 0.00 C ATOM 803 C GLU A 54 -13.797 -2.550 10.569 1.00 0.00 C ATOM 804 O GLU A 54 -13.600 -1.792 11.518 1.00 0.00 O ATOM 805 CB GLU A 54 -11.901 -3.989 9.706 1.00 0.00 C ATOM 806 CG GLU A 54 -10.937 -2.805 9.809 1.00 0.00 C ATOM 807 CD GLU A 54 -10.453 -2.581 11.235 1.00 0.00 C ATOM 808 OE1 GLU A 54 -10.544 -3.453 12.140 1.00 0.00 O ATOM 809 OE2 GLU A 54 -9.860 -1.484 11.417 1.00 0.00 O ATOM 0 H GLU A 54 -13.810 -5.424 9.296 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.894 -4.112 11.585 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.362 -4.893 9.989 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.190 -4.104 8.661 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.079 -2.979 9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.432 -1.903 9.449 1.00 0.00 H new ATOM 816 N VAL A 55 -14.507 -2.237 9.471 1.00 0.00 N ATOM 817 CA VAL A 55 -15.031 -0.917 9.303 1.00 0.00 C ATOM 818 C VAL A 55 -16.418 -0.701 9.801 1.00 0.00 C ATOM 819 O VAL A 55 -16.740 0.421 10.190 1.00 0.00 O ATOM 820 CB VAL A 55 -14.842 -0.419 7.900 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.374 -0.214 7.490 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.521 -1.265 6.810 1.00 0.00 C ATOM 0 H VAL A 55 -14.716 -2.885 8.711 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.426 -0.302 9.969 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.342 0.548 7.952 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.330 0.147 6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.910 0.518 8.152 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.840 -1.161 7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.326 -0.824 5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.123 -2.279 6.836 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.596 -1.293 6.988 1.00 0.00 H new ATOM 832 N ASP A 56 -17.180 -1.806 9.896 1.00 0.00 N ATOM 833 CA ASP A 56 -18.533 -2.066 10.277 1.00 0.00 C ATOM 834 C ASP A 56 -18.753 -1.688 11.701 1.00 0.00 C ATOM 835 O ASP A 56 -18.532 -2.472 12.623 1.00 0.00 O ATOM 836 CB ASP A 56 -18.871 -3.551 10.061 1.00 0.00 C ATOM 837 CG ASP A 56 -20.343 -3.908 10.209 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.159 -2.997 9.905 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.650 -5.058 10.624 1.00 0.00 O ATOM 0 H ASP A 56 -16.743 -2.695 9.652 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.192 -1.463 9.652 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.542 -3.841 9.063 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.296 -4.145 10.771 1.00 0.00 H new ATOM 844 N ALA A 57 -19.252 -0.495 12.072 1.00 0.00 N ATOM 845 CA ALA A 57 -19.409 0.016 13.398 1.00 0.00 C ATOM 846 C ALA A 57 -20.663 -0.430 14.068 1.00 0.00 C ATOM 847 O ALA A 57 -20.767 -0.663 15.271 1.00 0.00 O ATOM 848 CB ALA A 57 -19.283 1.549 13.437 1.00 0.00 C ATOM 0 H ALA A 57 -19.576 0.174 11.374 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.587 -0.414 13.970 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -19.408 1.898 14.462 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -18.299 1.843 13.071 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -20.052 1.993 12.806 1.00 0.00 H new ATOM 854 N ASP A 58 -21.749 -0.544 13.282 1.00 0.00 N ATOM 855 CA ASP A 58 -23.100 -0.821 13.659 1.00 0.00 C ATOM 856 C ASP A 58 -23.268 -2.245 14.062 1.00 0.00 C ATOM 857 O ASP A 58 -23.742 -2.582 15.146 1.00 0.00 O ATOM 858 CB ASP A 58 -24.169 -0.172 12.763 1.00 0.00 C ATOM 859 CG ASP A 58 -24.005 -0.527 11.292 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.497 -1.642 10.998 1.00 0.00 O ATOM 861 OD2 ASP A 58 -24.222 0.306 10.373 1.00 0.00 O ATOM 0 H ASP A 58 -21.667 -0.429 12.272 1.00 0.00 H new ATOM 0 HA ASP A 58 -23.319 -0.277 14.578 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -25.157 -0.486 13.099 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -24.123 0.911 12.877 1.00 0.00 H new ATOM 866 N GLY A 59 -22.830 -3.192 13.213 1.00 0.00 N ATOM 867 CA GLY A 59 -22.745 -4.615 13.329 1.00 0.00 C ATOM 868 C GLY A 59 -23.652 -5.347 12.401 1.00 0.00 C ATOM 869 O GLY A 59 -23.739 -6.569 12.514 1.00 0.00 O ATOM 0 H GLY A 59 -22.480 -2.904 12.299 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -21.718 -4.925 13.139 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -22.980 -4.902 14.354 1.00 0.00 H new ATOM 873 N ASN A 60 -24.303 -4.639 11.461 1.00 0.00 N ATOM 874 CA ASN A 60 -25.234 -5.223 10.545 1.00 0.00 C ATOM 875 C ASN A 60 -24.738 -6.035 9.398 1.00 0.00 C ATOM 876 O ASN A 60 -25.567 -6.566 8.661 1.00 0.00 O ATOM 877 CB ASN A 60 -26.168 -4.151 9.959 1.00 0.00 C ATOM 878 CG ASN A 60 -25.592 -2.991 9.160 1.00 0.00 C ATOM 879 OD1 ASN A 60 -24.444 -3.070 8.725 1.00 0.00 O ATOM 880 ND2 ASN A 60 -26.369 -1.884 9.018 1.00 0.00 N ATOM 0 H ASN A 60 -24.179 -3.635 11.334 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.719 -5.945 11.202 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.885 -4.662 9.316 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.732 -3.724 10.789 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -26.006 -1.065 8.531 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -27.315 -1.873 9.399 1.00 0.00 H new ATOM 887 N GLY A 61 -23.412 -6.180 9.226 1.00 0.00 N ATOM 888 CA GLY A 61 -22.904 -6.994 8.166 1.00 0.00 C ATOM 889 C GLY A 61 -22.649 -6.347 6.848 1.00 0.00 C ATOM 890 O GLY A 61 -21.815 -6.742 6.034 1.00 0.00 O ATOM 0 H GLY A 61 -22.701 -5.741 9.811 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.969 -7.440 8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.607 -7.811 8.006 1.00 0.00 H new ATOM 894 N THR A 62 -23.402 -5.272 6.554 1.00 0.00 N ATOM 895 CA THR A 62 -23.286 -4.553 5.323 1.00 0.00 C ATOM 896 C THR A 62 -22.440 -3.346 5.542 1.00 0.00 C ATOM 897 O THR A 62 -22.368 -2.717 6.597 1.00 0.00 O ATOM 898 CB THR A 62 -24.674 -4.230 4.854 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.486 -3.566 5.811 1.00 0.00 O ATOM 900 CG2 THR A 62 -25.328 -5.565 4.460 1.00 0.00 C ATOM 0 H THR A 62 -24.108 -4.894 7.186 1.00 0.00 H new ATOM 0 HA THR A 62 -22.795 -5.138 4.545 1.00 0.00 H new ATOM 0 HB THR A 62 -24.592 -3.529 4.023 1.00 0.00 H new ATOM 0 HG1 THR A 62 -24.918 -3.174 6.507 1.00 0.00 H new ATOM 0 HG21 THR A 62 -26.344 -5.383 4.110 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.749 -6.033 3.664 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.355 -6.226 5.326 1.00 0.00 H new ATOM 908 N ILE A 63 -21.774 -2.911 4.458 1.00 0.00 N ATOM 909 CA ILE A 63 -21.012 -1.702 4.522 1.00 0.00 C ATOM 910 C ILE A 63 -21.960 -0.601 4.193 1.00 0.00 C ATOM 911 O ILE A 63 -22.661 -0.480 3.189 1.00 0.00 O ATOM 912 CB ILE A 63 -19.801 -1.642 3.639 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.973 -2.936 3.561 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.929 -0.440 4.039 1.00 0.00 C ATOM 915 CD1 ILE A 63 -18.110 -3.130 2.316 1.00 0.00 C ATOM 0 H ILE A 63 -21.761 -3.384 3.555 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.588 -1.625 5.523 1.00 0.00 H new ATOM 0 HB ILE A 63 -20.180 -1.515 2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.322 -2.975 4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.657 -3.781 3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -18.050 -0.398 3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.504 0.479 3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.615 -0.548 5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.579 -4.079 2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.745 -3.134 1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.389 -2.315 2.242 1.00 0.00 H new ATOM 927 N ASP A 64 -22.212 0.261 5.194 1.00 0.00 N ATOM 928 CA ASP A 64 -22.956 1.474 5.055 1.00 0.00 C ATOM 929 C ASP A 64 -22.027 2.573 4.669 1.00 0.00 C ATOM 930 O ASP A 64 -20.813 2.378 4.635 1.00 0.00 O ATOM 931 CB ASP A 64 -23.730 1.853 6.329 1.00 0.00 C ATOM 932 CG ASP A 64 -24.605 0.675 6.730 1.00 0.00 C ATOM 933 OD1 ASP A 64 -24.073 -0.341 7.252 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.862 0.750 6.666 1.00 0.00 O ATOM 0 H ASP A 64 -21.881 0.104 6.146 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.703 1.316 4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -23.037 2.102 7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.343 2.737 6.151 1.00 0.00 H new ATOM 939 N PHE A 65 -22.545 3.753 4.284 1.00 0.00 N ATOM 940 CA PHE A 65 -21.798 4.853 3.758 1.00 0.00 C ATOM 941 C PHE A 65 -20.728 5.303 4.692 1.00 0.00 C ATOM 942 O PHE A 65 -19.630 5.295 4.139 1.00 0.00 O ATOM 943 CB PHE A 65 -22.717 5.968 3.231 1.00 0.00 C ATOM 944 CG PHE A 65 -21.885 7.018 2.578 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.026 6.712 1.549 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.841 8.277 3.128 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.208 7.682 1.019 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.975 9.231 2.647 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.154 8.934 1.585 1.00 0.00 C ATOM 0 H PHE A 65 -23.544 3.950 4.344 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.256 4.505 2.878 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.434 5.559 2.519 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.292 6.400 4.050 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.994 5.707 1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.497 8.521 3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.604 7.459 0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.940 10.210 3.102 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.473 9.678 1.199 1.00 0.00 H new ATOM 959 N PRO A 66 -20.828 5.529 5.969 1.00 0.00 N ATOM 960 CA PRO A 66 -19.741 6.085 6.721 1.00 0.00 C ATOM 961 C PRO A 66 -18.605 5.145 6.937 1.00 0.00 C ATOM 962 O PRO A 66 -17.477 5.577 7.169 1.00 0.00 O ATOM 963 CB PRO A 66 -20.329 6.637 8.017 1.00 0.00 C ATOM 964 CG PRO A 66 -21.781 6.133 8.047 1.00 0.00 C ATOM 965 CD PRO A 66 -22.116 5.816 6.581 1.00 0.00 C ATOM 0 HA PRO A 66 -19.276 6.887 6.148 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.771 6.284 8.884 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.290 7.726 8.035 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.880 5.248 8.676 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.454 6.889 8.452 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.791 4.964 6.503 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.608 6.658 6.095 1.00 0.00 H new ATOM 973 N GLU A 67 -18.779 3.822 6.770 1.00 0.00 N ATOM 974 CA GLU A 67 -17.807 2.777 6.859 1.00 0.00 C ATOM 975 C GLU A 67 -17.082 2.658 5.563 1.00 0.00 C ATOM 976 O GLU A 67 -15.894 2.340 5.571 1.00 0.00 O ATOM 977 CB GLU A 67 -18.571 1.514 7.292 1.00 0.00 C ATOM 978 CG GLU A 67 -19.483 1.724 8.503 1.00 0.00 C ATOM 979 CD GLU A 67 -20.504 0.612 8.703 1.00 0.00 C ATOM 980 OE1 GLU A 67 -21.076 0.020 7.749 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.917 0.373 9.869 1.00 0.00 O ATOM 0 H GLU A 67 -19.702 3.447 6.549 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.027 2.969 7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.172 1.160 6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.852 0.728 7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.868 1.806 9.399 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.009 2.672 8.390 1.00 0.00 H new ATOM 988 N PHE A 68 -17.687 2.908 4.389 1.00 0.00 N ATOM 989 CA PHE A 68 -17.191 3.022 3.052 1.00 0.00 C ATOM 990 C PHE A 68 -16.259 4.179 3.160 1.00 0.00 C ATOM 991 O PHE A 68 -15.116 4.199 2.706 1.00 0.00 O ATOM 992 CB PHE A 68 -18.229 3.230 1.937 1.00 0.00 C ATOM 993 CG PHE A 68 -17.614 3.022 0.596 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.600 1.737 0.106 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.024 4.027 -0.134 1.00 0.00 C ATOM 996 CE1 PHE A 68 -17.095 1.499 -1.151 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.467 3.766 -1.364 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.451 2.485 -1.862 1.00 0.00 C ATOM 0 H PHE A 68 -18.697 3.054 4.386 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.743 2.081 2.733 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -19.059 2.537 2.073 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.641 4.237 2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.982 0.922 0.703 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -16.998 5.031 0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -17.206 0.518 -1.589 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.040 4.572 -1.942 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.945 2.258 -2.789 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.705 5.282 3.789 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.851 6.409 4.002 1.00 0.00 C ATOM 1010 C LEU A 69 -14.709 6.168 4.928 1.00 0.00 C ATOM 1011 O LEU A 69 -13.597 6.684 4.832 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.813 7.506 4.487 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.474 8.963 4.127 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.618 9.954 4.398 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -15.159 9.331 4.836 1.00 0.00 C ATOM 0 H LEU A 69 -17.653 5.393 4.149 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.322 6.683 3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.803 7.284 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -16.882 7.436 5.573 1.00 0.00 H new ATOM 0 HG LEU A 69 -16.338 9.041 3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -17.302 10.959 4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.491 9.671 3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.873 9.935 5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.893 10.361 4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.286 9.228 5.914 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.365 8.665 4.499 1.00 0.00 H new ATOM 1027 N THR A 70 -14.900 5.287 5.926 1.00 0.00 N ATOM 1028 CA THR A 70 -13.849 4.814 6.773 1.00 0.00 C ATOM 1029 C THR A 70 -12.843 4.055 5.977 1.00 0.00 C ATOM 1030 O THR A 70 -11.642 4.310 6.058 1.00 0.00 O ATOM 1031 CB THR A 70 -14.356 4.030 7.947 1.00 0.00 C ATOM 1032 OG1 THR A 70 -15.033 4.917 8.825 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.225 3.458 8.818 1.00 0.00 C ATOM 0 H THR A 70 -15.813 4.892 6.151 1.00 0.00 H new ATOM 0 HA THR A 70 -13.354 5.686 7.200 1.00 0.00 H new ATOM 0 HB THR A 70 -14.971 3.231 7.533 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.865 5.220 8.406 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.654 2.901 9.651 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.605 2.793 8.218 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.614 4.274 9.203 1.00 0.00 H new ATOM 1041 N MET A 71 -13.302 3.139 5.107 1.00 0.00 N ATOM 1042 CA MET A 71 -12.518 2.275 4.280 1.00 0.00 C ATOM 1043 C MET A 71 -11.680 3.017 3.296 1.00 0.00 C ATOM 1044 O MET A 71 -10.478 2.773 3.210 1.00 0.00 O ATOM 1045 CB MET A 71 -13.356 1.178 3.600 1.00 0.00 C ATOM 1046 CG MET A 71 -12.618 0.020 2.924 1.00 0.00 C ATOM 1047 SD MET A 71 -13.679 -0.981 1.838 1.00 0.00 S ATOM 1048 CE MET A 71 -15.008 -1.298 3.034 1.00 0.00 C ATOM 0 H MET A 71 -14.302 2.992 4.972 1.00 0.00 H new ATOM 0 HA MET A 71 -11.830 1.771 4.959 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.023 0.755 4.351 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.984 1.656 2.849 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.789 0.419 2.341 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.187 -0.623 3.691 1.00 0.00 H new ATOM 0 HE1 MET A 71 -15.471 -2.261 2.817 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.594 -1.313 4.042 1.00 0.00 H new ATOM 0 HE3 MET A 71 -15.758 -0.510 2.962 1.00 0.00 H new ATOM 1058 N MET A 72 -12.239 4.067 2.669 1.00 0.00 N ATOM 1059 CA MET A 72 -11.595 4.953 1.750 1.00 0.00 C ATOM 1060 C MET A 72 -10.648 5.949 2.327 1.00 0.00 C ATOM 1061 O MET A 72 -9.611 6.234 1.730 1.00 0.00 O ATOM 1062 CB MET A 72 -12.552 5.707 0.812 1.00 0.00 C ATOM 1063 CG MET A 72 -13.524 4.855 -0.007 1.00 0.00 C ATOM 1064 SD MET A 72 -12.658 3.778 -1.187 1.00 0.00 S ATOM 1065 CE MET A 72 -12.069 5.118 -2.262 1.00 0.00 C ATOM 0 H MET A 72 -13.217 4.314 2.817 1.00 0.00 H new ATOM 0 HA MET A 72 -11.007 4.229 1.186 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.135 6.407 1.411 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.954 6.300 0.121 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.127 4.245 0.666 1.00 0.00 H new ATOM 0 HG3 MET A 72 -14.211 5.507 -0.547 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.681 4.697 -3.189 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.895 5.793 -2.487 1.00 0.00 H new ATOM 0 HE3 MET A 72 -11.277 5.670 -1.755 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.798 6.560 3.516 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.855 7.444 4.127 1.00 0.00 C ATOM 1077 C ALA A 73 -8.523 6.886 4.492 1.00 0.00 C ATOM 1078 O ALA A 73 -7.545 7.615 4.648 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.360 8.060 5.442 1.00 0.00 C ATOM 0 H ALA A 73 -11.633 6.427 4.087 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.742 8.160 3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.595 8.720 5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.268 8.632 5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.575 7.266 6.157 1.00 0.00 H new ATOM 1234 N GLU A 83 2.637 2.126 -6.314 1.00 0.00 N ATOM 1235 CA GLU A 83 3.992 2.515 -6.550 1.00 0.00 C ATOM 1236 C GLU A 83 4.405 3.543 -5.553 1.00 0.00 C ATOM 1237 O GLU A 83 5.614 3.768 -5.553 1.00 0.00 O ATOM 1238 CB GLU A 83 4.198 3.115 -7.951 1.00 0.00 C ATOM 1239 CG GLU A 83 3.519 4.465 -8.191 1.00 0.00 C ATOM 1240 CD GLU A 83 3.473 4.641 -9.702 1.00 0.00 C ATOM 1241 OE1 GLU A 83 2.696 3.833 -10.276 1.00 0.00 O ATOM 1242 OE2 GLU A 83 4.136 5.546 -10.275 1.00 0.00 O ATOM 0 HA GLU A 83 4.594 1.610 -6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.268 3.229 -8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.828 2.405 -8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.516 4.480 -7.765 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.078 5.273 -7.720 1.00 0.00 H new ATOM 1249 N GLU A 84 3.500 4.007 -4.673 1.00 0.00 N ATOM 1250 CA GLU A 84 3.890 4.806 -3.553 1.00 0.00 C ATOM 1251 C GLU A 84 4.456 3.981 -2.450 1.00 0.00 C ATOM 1252 O GLU A 84 5.524 4.236 -1.894 1.00 0.00 O ATOM 1253 CB GLU A 84 2.713 5.630 -3.003 1.00 0.00 C ATOM 1254 CG GLU A 84 3.175 6.725 -2.039 1.00 0.00 C ATOM 1255 CD GLU A 84 2.155 7.738 -1.539 1.00 0.00 C ATOM 1256 OE1 GLU A 84 1.197 7.298 -0.849 1.00 0.00 O ATOM 1257 OE2 GLU A 84 2.328 8.945 -1.857 1.00 0.00 O ATOM 0 H GLU A 84 2.498 3.829 -4.737 1.00 0.00 H new ATOM 0 HA GLU A 84 4.661 5.482 -3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.170 6.084 -3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.016 4.967 -2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.609 6.236 -1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.978 7.278 -2.527 1.00 0.00 H new ATOM 1264 N ILE A 85 3.745 2.885 -2.130 1.00 0.00 N ATOM 1265 CA ILE A 85 4.256 1.934 -1.192 1.00 0.00 C ATOM 1266 C ILE A 85 5.409 1.116 -1.663 1.00 0.00 C ATOM 1267 O ILE A 85 6.347 0.779 -0.941 1.00 0.00 O ATOM 1268 CB ILE A 85 3.227 1.009 -0.613 1.00 0.00 C ATOM 1269 CG1 ILE A 85 2.880 -0.215 -1.478 1.00 0.00 C ATOM 1270 CG2 ILE A 85 2.030 1.875 -0.187 1.00 0.00 C ATOM 1271 CD1 ILE A 85 1.545 -0.890 -1.166 1.00 0.00 C ATOM 0 H ILE A 85 2.828 2.659 -2.515 1.00 0.00 H new ATOM 0 HA ILE A 85 4.616 2.602 -0.410 1.00 0.00 H new ATOM 0 HB ILE A 85 3.641 0.508 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.875 0.092 -2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.674 -0.953 -1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.255 1.239 0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.354 2.603 0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.631 2.397 -1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.402 -1.739 -1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.545 -1.237 -0.133 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.734 -0.176 -1.309 1.00 0.00 H new ATOM 1283 N ARG A 86 5.643 1.049 -2.986 1.00 0.00 N ATOM 1284 CA ARG A 86 6.809 0.454 -3.561 1.00 0.00 C ATOM 1285 C ARG A 86 7.925 1.441 -3.579 1.00 0.00 C ATOM 1286 O ARG A 86 9.094 1.060 -3.546 1.00 0.00 O ATOM 1287 CB ARG A 86 6.428 -0.031 -4.970 1.00 0.00 C ATOM 1288 CG ARG A 86 7.422 -0.987 -5.633 1.00 0.00 C ATOM 1289 CD ARG A 86 6.783 -1.839 -6.732 1.00 0.00 C ATOM 1290 NE ARG A 86 7.767 -2.889 -7.119 1.00 0.00 N ATOM 1291 CZ ARG A 86 7.461 -4.135 -7.584 1.00 0.00 C ATOM 1292 NH1 ARG A 86 6.185 -4.471 -7.932 1.00 0.00 N ATOM 1293 NH2 ARG A 86 8.388 -5.118 -7.776 1.00 0.00 N ATOM 0 H ARG A 86 4.996 1.423 -3.681 1.00 0.00 H new ATOM 0 HA ARG A 86 7.159 -0.396 -2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.458 -0.525 -4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.305 0.840 -5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.244 -0.411 -6.058 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.850 -1.642 -4.874 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.859 -2.294 -6.375 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.523 -1.222 -7.592 1.00 0.00 H new ATOM 0 HE ARG A 86 8.756 -2.656 -7.028 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.436 -3.784 -7.847 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.981 -5.409 -8.277 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.371 -4.940 -7.569 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.098 -6.031 -8.127 1.00 0.00 H new ATOM 1307 N GLU A 87 7.710 2.768 -3.624 1.00 0.00 N ATOM 1308 CA GLU A 87 8.754 3.733 -3.464 1.00 0.00 C ATOM 1309 C GLU A 87 9.117 3.743 -2.019 1.00 0.00 C ATOM 1310 O GLU A 87 10.312 3.720 -1.727 1.00 0.00 O ATOM 1311 CB GLU A 87 8.452 5.117 -4.063 1.00 0.00 C ATOM 1312 CG GLU A 87 9.627 6.096 -4.113 1.00 0.00 C ATOM 1313 CD GLU A 87 10.561 5.598 -5.207 1.00 0.00 C ATOM 1314 OE1 GLU A 87 10.172 5.042 -6.269 1.00 0.00 O ATOM 1315 OE2 GLU A 87 11.790 5.849 -5.086 1.00 0.00 O ATOM 0 H GLU A 87 6.789 3.180 -3.775 1.00 0.00 H new ATOM 0 HA GLU A 87 9.619 3.439 -4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.077 4.978 -5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.648 5.574 -3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.281 7.107 -4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.141 6.134 -3.152 1.00 0.00 H new ATOM 1322 N ALA A 88 8.190 3.574 -1.060 1.00 0.00 N ATOM 1323 CA ALA A 88 8.337 3.593 0.363 1.00 0.00 C ATOM 1324 C ALA A 88 9.158 2.467 0.889 1.00 0.00 C ATOM 1325 O ALA A 88 9.932 2.522 1.843 1.00 0.00 O ATOM 1326 CB ALA A 88 6.942 3.647 1.009 1.00 0.00 C ATOM 0 H ALA A 88 7.218 3.403 -1.318 1.00 0.00 H new ATOM 0 HA ALA A 88 8.896 4.489 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.044 3.662 2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.424 4.548 0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.369 2.769 0.710 1.00 0.00 H new ATOM 1332 N PHE A 89 8.986 1.279 0.281 1.00 0.00 N ATOM 1333 CA PHE A 89 9.638 0.048 0.605 1.00 0.00 C ATOM 1334 C PHE A 89 11.125 0.108 0.531 1.00 0.00 C ATOM 1335 O PHE A 89 11.843 -0.195 1.482 1.00 0.00 O ATOM 1336 CB PHE A 89 9.217 -1.042 -0.395 1.00 0.00 C ATOM 1337 CG PHE A 89 9.774 -2.374 -0.026 1.00 0.00 C ATOM 1338 CD1 PHE A 89 9.193 -3.056 1.017 1.00 0.00 C ATOM 1339 CD2 PHE A 89 10.751 -2.987 -0.775 1.00 0.00 C ATOM 1340 CE1 PHE A 89 9.443 -4.387 1.252 1.00 0.00 C ATOM 1341 CE2 PHE A 89 11.066 -4.294 -0.482 1.00 0.00 C ATOM 1342 CZ PHE A 89 10.475 -4.973 0.557 1.00 0.00 C ATOM 0 H PHE A 89 8.338 1.173 -0.500 1.00 0.00 H new ATOM 0 HA PHE A 89 9.341 -0.165 1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 89 8.129 -1.100 -0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 89 9.557 -0.770 -1.394 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.517 -2.528 1.674 1.00 0.00 H new ATOM 0 HD2 PHE A 89 11.256 -2.458 -1.570 1.00 0.00 H new ATOM 0 HE1 PHE A 89 8.851 -4.952 1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 89 11.801 -4.803 -1.088 1.00 0.00 H new ATOM 0 HZ PHE A 89 10.819 -5.961 0.826 1.00 0.00 H new ATOM 1352 N ARG A 90 11.644 0.697 -0.562 1.00 0.00 N ATOM 1353 CA ARG A 90 13.027 0.996 -0.769 1.00 0.00 C ATOM 1354 C ARG A 90 13.598 2.117 0.029 1.00 0.00 C ATOM 1355 O ARG A 90 14.800 2.184 0.284 1.00 0.00 O ATOM 1356 CB ARG A 90 13.249 1.155 -2.282 1.00 0.00 C ATOM 1357 CG ARG A 90 14.672 1.484 -2.740 1.00 0.00 C ATOM 1358 CD ARG A 90 14.826 1.484 -4.262 1.00 0.00 C ATOM 1359 NE ARG A 90 14.114 2.696 -4.757 1.00 0.00 N ATOM 1360 CZ ARG A 90 14.230 3.119 -6.049 1.00 0.00 C ATOM 1361 NH1 ARG A 90 15.058 2.469 -6.919 1.00 0.00 N ATOM 1362 NH2 ARG A 90 13.480 4.183 -6.459 1.00 0.00 N ATOM 0 H ARG A 90 11.061 0.982 -1.349 1.00 0.00 H new ATOM 0 HA ARG A 90 13.598 0.156 -0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.940 0.230 -2.770 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.586 1.942 -2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.955 2.462 -2.352 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.363 0.758 -2.311 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.878 1.509 -4.546 1.00 0.00 H new ATOM 0 HD3 ARG A 90 14.400 0.579 -4.695 1.00 0.00 H new ATOM 0 HE ARG A 90 13.524 3.223 -4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.595 1.661 -6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.139 2.791 -7.883 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.849 4.645 -5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.551 4.516 -7.420 1.00 0.00 H new ATOM 1376 N VAL A 91 12.764 3.080 0.460 1.00 0.00 N ATOM 1377 CA VAL A 91 13.113 4.168 1.320 1.00 0.00 C ATOM 1378 C VAL A 91 13.331 3.640 2.696 1.00 0.00 C ATOM 1379 O VAL A 91 14.138 4.155 3.467 1.00 0.00 O ATOM 1380 CB VAL A 91 12.024 5.199 1.355 1.00 0.00 C ATOM 1381 CG1 VAL A 91 12.344 6.308 2.371 1.00 0.00 C ATOM 1382 CG2 VAL A 91 12.029 5.976 0.028 1.00 0.00 C ATOM 0 H VAL A 91 11.781 3.099 0.189 1.00 0.00 H new ATOM 0 HA VAL A 91 14.020 4.639 0.940 1.00 0.00 H new ATOM 0 HB VAL A 91 11.099 4.667 1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.538 7.041 2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.444 5.873 3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 91 13.278 6.797 2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.240 6.728 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.994 6.465 -0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.856 5.286 -0.798 1.00 0.00 H new ATOM 1392 N PHE A 92 12.733 2.492 3.062 1.00 0.00 N ATOM 1393 CA PHE A 92 12.838 2.027 4.411 1.00 0.00 C ATOM 1394 C PHE A 92 13.978 1.074 4.522 1.00 0.00 C ATOM 1395 O PHE A 92 14.600 0.991 5.579 1.00 0.00 O ATOM 1396 CB PHE A 92 11.500 1.322 4.694 1.00 0.00 C ATOM 1397 CG PHE A 92 10.224 2.036 4.982 1.00 0.00 C ATOM 1398 CD1 PHE A 92 10.026 3.381 4.776 1.00 0.00 C ATOM 1399 CD2 PHE A 92 9.209 1.235 5.450 1.00 0.00 C ATOM 1400 CE1 PHE A 92 8.765 3.874 5.019 1.00 0.00 C ATOM 1401 CE2 PHE A 92 7.992 1.785 5.775 1.00 0.00 C ATOM 1402 CZ PHE A 92 7.745 3.118 5.547 1.00 0.00 C ATOM 0 H PHE A 92 12.188 1.896 2.439 1.00 0.00 H new ATOM 0 HA PHE A 92 13.023 2.831 5.123 1.00 0.00 H new ATOM 0 HB2 PHE A 92 11.304 0.685 3.832 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.678 0.663 5.544 1.00 0.00 H new ATOM 0 HD1 PHE A 92 10.826 4.023 4.438 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.368 0.173 5.562 1.00 0.00 H new ATOM 0 HE1 PHE A 92 8.566 4.909 4.783 1.00 0.00 H new ATOM 0 HE2 PHE A 92 7.224 1.165 6.213 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.784 3.556 5.774 1.00 0.00 H new ATOM 1412 N ASP A 93 14.202 0.262 3.473 1.00 0.00 N ATOM 1413 CA ASP A 93 15.324 -0.612 3.322 1.00 0.00 C ATOM 1414 C ASP A 93 16.498 0.263 3.043 1.00 0.00 C ATOM 1415 O ASP A 93 16.862 0.664 1.939 1.00 0.00 O ATOM 1416 CB ASP A 93 15.139 -1.597 2.156 1.00 0.00 C ATOM 1417 CG ASP A 93 16.055 -2.811 2.205 1.00 0.00 C ATOM 1418 OD1 ASP A 93 16.868 -2.861 3.166 1.00 0.00 O ATOM 1419 OD2 ASP A 93 15.920 -3.722 1.344 1.00 0.00 O ATOM 0 H ASP A 93 13.560 0.213 2.682 1.00 0.00 H new ATOM 0 HA ASP A 93 15.450 -1.211 4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 93 14.104 -1.939 2.146 1.00 0.00 H new ATOM 0 HB3 ASP A 93 15.309 -1.067 1.219 1.00 0.00 H new ATOM 1424 N LYS A 94 17.237 0.653 4.097 1.00 0.00 N ATOM 1425 CA LYS A 94 18.390 1.499 4.086 1.00 0.00 C ATOM 1426 C LYS A 94 19.568 0.808 3.491 1.00 0.00 C ATOM 1427 O LYS A 94 20.343 1.401 2.742 1.00 0.00 O ATOM 1428 CB LYS A 94 18.699 2.339 5.337 1.00 0.00 C ATOM 1429 CG LYS A 94 17.459 3.070 5.853 1.00 0.00 C ATOM 1430 CD LYS A 94 17.743 3.666 7.233 1.00 0.00 C ATOM 1431 CE LYS A 94 16.600 4.627 7.566 1.00 0.00 C ATOM 1432 NZ LYS A 94 16.834 5.232 8.896 1.00 0.00 N ATOM 0 H LYS A 94 17.005 0.347 5.042 1.00 0.00 H new ATOM 0 HA LYS A 94 18.096 2.307 3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 94 19.091 1.692 6.121 1.00 0.00 H new ATOM 0 HB3 LYS A 94 19.478 3.065 5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 94 17.176 3.860 5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 94 16.617 2.380 5.911 1.00 0.00 H new ATOM 0 HD2 LYS A 94 17.812 2.878 7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 94 18.698 4.192 7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 94 16.534 5.406 6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.649 4.094 7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 16.134 5.982 9.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.742 4.502 9.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 17.791 5.638 8.929 1.00 0.00 H new ATOM 1446 N ASP A 95 19.831 -0.442 3.913 1.00 0.00 N ATOM 1447 CA ASP A 95 20.871 -1.211 3.303 1.00 0.00 C ATOM 1448 C ASP A 95 20.659 -1.579 1.875 1.00 0.00 C ATOM 1449 O ASP A 95 21.592 -1.666 1.079 1.00 0.00 O ATOM 1450 CB ASP A 95 21.200 -2.393 4.230 1.00 0.00 C ATOM 1451 CG ASP A 95 20.008 -3.314 4.448 1.00 0.00 C ATOM 1452 OD1 ASP A 95 19.006 -2.962 5.126 1.00 0.00 O ATOM 1453 OD2 ASP A 95 19.983 -4.379 3.775 1.00 0.00 O ATOM 0 H ASP A 95 19.331 -0.915 4.666 1.00 0.00 H new ATOM 0 HA ASP A 95 21.748 -0.571 3.208 1.00 0.00 H new ATOM 0 HB2 ASP A 95 22.024 -2.966 3.804 1.00 0.00 H new ATOM 0 HB3 ASP A 95 21.541 -2.011 5.193 1.00 0.00 H new ATOM 1458 N GLY A 96 19.353 -1.812 1.653 1.00 0.00 N ATOM 1459 CA GLY A 96 18.700 -1.860 0.382 1.00 0.00 C ATOM 1460 C GLY A 96 18.714 -3.170 -0.329 1.00 0.00 C ATOM 1461 O GLY A 96 18.785 -3.286 -1.551 1.00 0.00 O ATOM 0 H GLY A 96 18.705 -1.980 2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.662 -1.560 0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.163 -1.116 -0.266 1.00 0.00 H new ATOM 1465 N ASN A 97 18.912 -4.275 0.411 1.00 0.00 N ATOM 1466 CA ASN A 97 19.089 -5.588 -0.126 1.00 0.00 C ATOM 1467 C ASN A 97 17.885 -6.271 -0.678 1.00 0.00 C ATOM 1468 O ASN A 97 18.057 -6.923 -1.706 1.00 0.00 O ATOM 1469 CB ASN A 97 19.633 -6.525 0.966 1.00 0.00 C ATOM 1470 CG ASN A 97 18.622 -6.800 2.070 1.00 0.00 C ATOM 1471 OD1 ASN A 97 18.046 -5.922 2.710 1.00 0.00 O ATOM 1472 ND2 ASN A 97 18.391 -8.103 2.385 1.00 0.00 N ATOM 0 H ASN A 97 18.950 -4.252 1.430 1.00 0.00 H new ATOM 0 HA ASN A 97 19.765 -5.414 -0.963 1.00 0.00 H new ATOM 0 HB2 ASN A 97 19.932 -7.469 0.511 1.00 0.00 H new ATOM 0 HB3 ASN A 97 20.529 -6.084 1.403 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.749 -8.339 3.141 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.860 -8.844 1.865 1.00 0.00 H new ATOM 1479 N GLY A 98 16.684 -5.908 -0.193 1.00 0.00 N ATOM 1480 CA GLY A 98 15.465 -6.333 -0.809 1.00 0.00 C ATOM 1481 C GLY A 98 14.397 -6.674 0.172 1.00 0.00 C ATOM 1482 O GLY A 98 13.208 -6.688 -0.142 1.00 0.00 O ATOM 0 H GLY A 98 16.557 -5.318 0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.105 -5.543 -1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.666 -7.203 -1.434 1.00 0.00 H new ATOM 1486 N TYR A 99 14.867 -6.933 1.406 1.00 0.00 N ATOM 1487 CA TYR A 99 13.976 -7.318 2.455 1.00 0.00 C ATOM 1488 C TYR A 99 14.018 -6.363 3.598 1.00 0.00 C ATOM 1489 O TYR A 99 15.045 -5.777 3.938 1.00 0.00 O ATOM 1490 CB TYR A 99 14.512 -8.668 2.960 1.00 0.00 C ATOM 1491 CG TYR A 99 14.318 -9.834 2.054 1.00 0.00 C ATOM 1492 CD1 TYR A 99 13.078 -10.362 1.781 1.00 0.00 C ATOM 1493 CD2 TYR A 99 15.401 -10.142 1.264 1.00 0.00 C ATOM 1494 CE1 TYR A 99 12.962 -11.306 0.788 1.00 0.00 C ATOM 1495 CE2 TYR A 99 15.254 -10.986 0.188 1.00 0.00 C ATOM 1496 CZ TYR A 99 14.054 -11.637 0.021 1.00 0.00 C ATOM 1497 OH TYR A 99 13.740 -12.310 -1.178 1.00 0.00 O ATOM 0 H TYR A 99 15.849 -6.877 1.674 1.00 0.00 H new ATOM 0 HA TYR A 99 12.951 -7.351 2.085 1.00 0.00 H new ATOM 0 HB2 TYR A 99 15.579 -8.561 3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 99 14.033 -8.892 3.913 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.210 -10.041 2.337 1.00 0.00 H new ATOM 0 HD2 TYR A 99 16.369 -9.720 1.489 1.00 0.00 H new ATOM 0 HE1 TYR A 99 12.012 -11.788 0.610 1.00 0.00 H new ATOM 0 HE2 TYR A 99 16.064 -11.134 -0.511 1.00 0.00 H new ATOM 0 HH TYR A 99 14.566 -12.510 -1.667 1.00 0.00 H new ATOM 1507 N ILE A 100 12.875 -6.155 4.276 1.00 0.00 N ATOM 1508 CA ILE A 100 12.815 -5.441 5.513 1.00 0.00 C ATOM 1509 C ILE A 100 12.837 -6.399 6.654 1.00 0.00 C ATOM 1510 O ILE A 100 11.765 -6.891 7.000 1.00 0.00 O ATOM 1511 CB ILE A 100 11.636 -4.539 5.732 1.00 0.00 C ATOM 1512 CG1 ILE A 100 11.351 -3.593 4.553 1.00 0.00 C ATOM 1513 CG2 ILE A 100 12.012 -3.646 6.926 1.00 0.00 C ATOM 1514 CD1 ILE A 100 10.094 -2.731 4.668 1.00 0.00 C ATOM 0 H ILE A 100 11.968 -6.493 3.955 1.00 0.00 H new ATOM 0 HA ILE A 100 13.689 -4.792 5.457 1.00 0.00 H new ATOM 0 HB ILE A 100 10.752 -5.161 5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 100 12.209 -2.933 4.429 1.00 0.00 H new ATOM 0 HG13 ILE A 100 11.275 -4.191 3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 100 11.192 -2.961 7.140 1.00 0.00 H new ATOM 0 HG22 ILE A 100 12.202 -4.269 7.800 1.00 0.00 H new ATOM 0 HG23 ILE A 100 12.909 -3.075 6.685 1.00 0.00 H new ATOM 0 HD11 ILE A 100 9.998 -2.107 3.780 1.00 0.00 H new ATOM 0 HD12 ILE A 100 9.218 -3.374 4.755 1.00 0.00 H new ATOM 0 HD13 ILE A 100 10.168 -2.096 5.551 1.00 0.00 H new ATOM 1526 N SER A 101 13.959 -6.506 7.388 1.00 0.00 N ATOM 1527 CA SER A 101 13.923 -7.174 8.652 1.00 0.00 C ATOM 1528 C SER A 101 12.965 -6.695 9.688 1.00 0.00 C ATOM 1529 O SER A 101 12.749 -5.489 9.801 1.00 0.00 O ATOM 1530 CB SER A 101 15.273 -7.520 9.302 1.00 0.00 C ATOM 1531 OG SER A 101 15.778 -6.340 9.911 1.00 0.00 O ATOM 0 H SER A 101 14.871 -6.140 7.115 1.00 0.00 H new ATOM 0 HA SER A 101 13.496 -8.100 8.267 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.149 -8.309 10.044 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.973 -7.893 8.554 1.00 0.00 H new ATOM 0 HG SER A 101 16.640 -6.534 10.335 1.00 0.00 H new ATOM 1537 N ALA A 102 12.388 -7.506 10.591 1.00 0.00 N ATOM 1538 CA ALA A 102 11.663 -7.112 11.759 1.00 0.00 C ATOM 1539 C ALA A 102 12.217 -5.965 12.532 1.00 0.00 C ATOM 1540 O ALA A 102 11.484 -5.105 13.018 1.00 0.00 O ATOM 1541 CB ALA A 102 11.381 -8.381 12.580 1.00 0.00 C ATOM 0 H ALA A 102 12.433 -8.521 10.495 1.00 0.00 H new ATOM 0 HA ALA A 102 10.722 -6.664 11.440 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.828 -8.116 13.481 1.00 0.00 H new ATOM 0 HB2 ALA A 102 10.791 -9.077 11.983 1.00 0.00 H new ATOM 0 HB3 ALA A 102 12.324 -8.851 12.859 1.00 0.00 H new ATOM 1547 N ALA A 103 13.554 -5.873 12.647 1.00 0.00 N ATOM 1548 CA ALA A 103 14.229 -4.851 13.386 1.00 0.00 C ATOM 1549 C ALA A 103 14.237 -3.550 12.661 1.00 0.00 C ATOM 1550 O ALA A 103 14.126 -2.456 13.212 1.00 0.00 O ATOM 1551 CB ALA A 103 15.662 -5.227 13.799 1.00 0.00 C ATOM 0 H ALA A 103 14.191 -6.538 12.207 1.00 0.00 H new ATOM 0 HA ALA A 103 13.649 -4.744 14.303 1.00 0.00 H new ATOM 0 HB1 ALA A 103 16.109 -4.403 14.355 1.00 0.00 H new ATOM 0 HB2 ALA A 103 15.638 -6.118 14.427 1.00 0.00 H new ATOM 0 HB3 ALA A 103 16.257 -5.428 12.908 1.00 0.00 H new ATOM 1557 N GLU A 104 14.520 -3.651 11.350 1.00 0.00 N ATOM 1558 CA GLU A 104 14.369 -2.556 10.442 1.00 0.00 C ATOM 1559 C GLU A 104 13.003 -1.962 10.397 1.00 0.00 C ATOM 1560 O GLU A 104 12.713 -0.767 10.353 1.00 0.00 O ATOM 1561 CB GLU A 104 14.715 -2.862 8.975 1.00 0.00 C ATOM 1562 CG GLU A 104 16.181 -3.239 8.754 1.00 0.00 C ATOM 1563 CD GLU A 104 16.243 -3.856 7.364 1.00 0.00 C ATOM 1564 OE1 GLU A 104 16.261 -3.166 6.311 1.00 0.00 O ATOM 1565 OE2 GLU A 104 16.345 -5.105 7.230 1.00 0.00 O ATOM 0 H GLU A 104 14.860 -4.508 10.913 1.00 0.00 H new ATOM 0 HA GLU A 104 15.090 -1.860 10.872 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.083 -3.678 8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.478 -1.990 8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.825 -2.362 8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.522 -3.945 9.511 1.00 0.00 H new ATOM 1572 N LEU A 105 11.964 -2.814 10.445 1.00 0.00 N ATOM 1573 CA LEU A 105 10.593 -2.410 10.456 1.00 0.00 C ATOM 1574 C LEU A 105 10.216 -1.677 11.698 1.00 0.00 C ATOM 1575 O LEU A 105 9.577 -0.627 11.722 1.00 0.00 O ATOM 1576 CB LEU A 105 9.603 -3.518 10.059 1.00 0.00 C ATOM 1577 CG LEU A 105 8.228 -2.966 9.648 1.00 0.00 C ATOM 1578 CD1 LEU A 105 8.038 -2.423 8.221 1.00 0.00 C ATOM 1579 CD2 LEU A 105 7.144 -4.020 9.935 1.00 0.00 C ATOM 0 H LEU A 105 12.084 -3.826 10.477 1.00 0.00 H new ATOM 0 HA LEU A 105 10.504 -1.683 9.649 1.00 0.00 H new ATOM 0 HB2 LEU A 105 10.021 -4.094 9.233 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.479 -4.205 10.896 1.00 0.00 H new ATOM 0 HG LEU A 105 8.142 -2.070 10.262 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.013 -2.074 8.098 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.726 -1.595 8.052 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.240 -3.215 7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.169 -3.628 9.644 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.356 -4.925 9.366 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.137 -4.254 10.999 1.00 0.00 H new ATOM 1591 N ARG A 106 10.801 -2.043 12.853 1.00 0.00 N ATOM 1592 CA ARG A 106 10.646 -1.415 14.128 1.00 0.00 C ATOM 1593 C ARG A 106 11.183 -0.027 14.065 1.00 0.00 C ATOM 1594 O ARG A 106 10.523 0.958 14.394 1.00 0.00 O ATOM 1595 CB ARG A 106 11.461 -2.200 15.170 1.00 0.00 C ATOM 1596 CG ARG A 106 11.630 -1.491 16.515 1.00 0.00 C ATOM 1597 CD ARG A 106 12.170 -2.329 17.675 1.00 0.00 C ATOM 1598 NE ARG A 106 12.305 -1.289 18.732 1.00 0.00 N ATOM 1599 CZ ARG A 106 11.450 -1.276 19.796 1.00 0.00 C ATOM 1600 NH1 ARG A 106 10.944 -2.452 20.272 1.00 0.00 N ATOM 1601 NH2 ARG A 106 11.069 -0.068 20.304 1.00 0.00 N ATOM 0 H ARG A 106 11.433 -2.843 12.896 1.00 0.00 H new ATOM 0 HA ARG A 106 9.590 -1.396 14.399 1.00 0.00 H new ATOM 0 HB2 ARG A 106 10.977 -3.162 15.340 1.00 0.00 H new ATOM 0 HB3 ARG A 106 12.448 -2.408 14.758 1.00 0.00 H new ATOM 0 HG2 ARG A 106 12.298 -0.642 16.370 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.661 -1.087 16.810 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.484 -3.125 17.964 1.00 0.00 H new ATOM 0 HD3 ARG A 106 13.123 -2.801 17.435 1.00 0.00 H new ATOM 0 HE ARG A 106 13.039 -0.584 18.661 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.205 -3.335 19.833 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.305 -2.448 21.067 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.422 0.794 19.889 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.431 -0.027 21.099 1.00 0.00 H new ATOM 1615 N HIS A 107 12.491 -0.033 13.750 1.00 0.00 N ATOM 1616 CA HIS A 107 13.176 1.196 13.496 1.00 0.00 C ATOM 1617 C HIS A 107 12.507 2.241 12.671 1.00 0.00 C ATOM 1618 O HIS A 107 12.206 3.367 13.066 1.00 0.00 O ATOM 1619 CB HIS A 107 14.554 0.920 12.870 1.00 0.00 C ATOM 1620 CG HIS A 107 15.507 1.990 12.426 1.00 0.00 C ATOM 1621 ND1 HIS A 107 15.928 2.906 13.369 1.00 0.00 N ATOM 1622 CD2 HIS A 107 15.920 2.410 11.201 1.00 0.00 C ATOM 1623 CE1 HIS A 107 16.685 3.776 12.649 1.00 0.00 C ATOM 1624 NE2 HIS A 107 16.718 3.526 11.353 1.00 0.00 N ATOM 0 H HIS A 107 13.065 -0.872 13.672 1.00 0.00 H new ATOM 0 HA HIS A 107 13.217 1.627 14.496 1.00 0.00 H new ATOM 0 HB2 HIS A 107 15.098 0.309 13.590 1.00 0.00 H new ATOM 0 HB3 HIS A 107 14.371 0.295 11.996 1.00 0.00 H new ATOM 0 HD1 HIS A 107 15.721 2.925 14.368 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.665 1.945 10.260 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.215 4.602 13.099 1.00 0.00 H new ATOM 1632 N VAL A 108 12.112 1.883 11.436 1.00 0.00 N ATOM 1633 CA VAL A 108 11.657 2.746 10.390 1.00 0.00 C ATOM 1634 C VAL A 108 10.285 3.195 10.760 1.00 0.00 C ATOM 1635 O VAL A 108 9.901 4.334 10.499 1.00 0.00 O ATOM 1636 CB VAL A 108 11.626 2.157 9.011 1.00 0.00 C ATOM 1637 CG1 VAL A 108 10.993 3.223 8.100 1.00 0.00 C ATOM 1638 CG2 VAL A 108 13.070 1.906 8.545 1.00 0.00 C ATOM 0 H VAL A 108 12.112 0.905 11.146 1.00 0.00 H new ATOM 0 HA VAL A 108 12.383 3.556 10.320 1.00 0.00 H new ATOM 0 HB VAL A 108 11.069 1.220 8.986 1.00 0.00 H new ATOM 0 HG11 VAL A 108 10.945 2.846 7.078 1.00 0.00 H new ATOM 0 HG12 VAL A 108 9.986 3.450 8.451 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.599 4.129 8.125 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.060 1.477 7.543 1.00 0.00 H new ATOM 0 HG22 VAL A 108 13.617 2.849 8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.558 1.214 9.231 1.00 0.00 H new ATOM 1648 N MET A 109 9.375 2.317 11.219 1.00 0.00 N ATOM 1649 CA MET A 109 8.032 2.610 11.614 1.00 0.00 C ATOM 1650 C MET A 109 7.990 3.466 12.832 1.00 0.00 C ATOM 1651 O MET A 109 7.105 4.316 12.915 1.00 0.00 O ATOM 1652 CB MET A 109 7.217 1.308 11.550 1.00 0.00 C ATOM 1653 CG MET A 109 6.945 0.803 10.132 1.00 0.00 C ATOM 1654 SD MET A 109 5.613 1.769 9.359 1.00 0.00 S ATOM 1655 CE MET A 109 5.217 0.530 8.092 1.00 0.00 C ATOM 0 H MET A 109 9.597 1.327 11.321 1.00 0.00 H new ATOM 0 HA MET A 109 7.506 3.269 10.923 1.00 0.00 H new ATOM 0 HB2 MET A 109 7.748 0.533 12.103 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.264 1.464 12.056 1.00 0.00 H new ATOM 0 HG2 MET A 109 7.852 0.878 9.532 1.00 0.00 H new ATOM 0 HG3 MET A 109 6.668 -0.251 10.161 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.712 1.013 7.256 1.00 0.00 H new ATOM 0 HE2 MET A 109 6.137 0.063 7.739 1.00 0.00 H new ATOM 0 HE3 MET A 109 4.564 -0.231 8.519 1.00 0.00 H new ATOM 1665 N THR A 110 9.010 3.367 13.704 1.00 0.00 N ATOM 1666 CA THR A 110 9.247 4.393 14.672 1.00 0.00 C ATOM 1667 C THR A 110 9.558 5.754 14.152 1.00 0.00 C ATOM 1668 O THR A 110 9.041 6.763 14.628 1.00 0.00 O ATOM 1669 CB THR A 110 10.327 4.028 15.647 1.00 0.00 C ATOM 1670 OG1 THR A 110 10.104 2.760 16.247 1.00 0.00 O ATOM 1671 CG2 THR A 110 10.506 5.063 16.770 1.00 0.00 C ATOM 0 H THR A 110 9.664 2.585 13.739 1.00 0.00 H new ATOM 0 HA THR A 110 8.271 4.453 15.153 1.00 0.00 H new ATOM 0 HB THR A 110 11.236 4.000 15.046 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.501 2.059 15.689 1.00 0.00 H new ATOM 0 HG21 THR A 110 11.302 4.739 17.440 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.767 6.028 16.337 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.576 5.157 17.330 1.00 0.00 H new ATOM 1679 N ASN A 111 10.360 5.880 13.080 1.00 0.00 N ATOM 1680 CA ASN A 111 10.808 7.152 12.605 1.00 0.00 C ATOM 1681 C ASN A 111 9.778 7.851 11.786 1.00 0.00 C ATOM 1682 O ASN A 111 9.597 9.067 11.800 1.00 0.00 O ATOM 1683 CB ASN A 111 12.087 6.913 11.785 1.00 0.00 C ATOM 1684 CG ASN A 111 13.345 6.686 12.611 1.00 0.00 C ATOM 1685 OD1 ASN A 111 13.346 6.764 13.838 1.00 0.00 O ATOM 1686 ND2 ASN A 111 14.428 6.341 11.864 1.00 0.00 N ATOM 0 H ASN A 111 10.702 5.088 12.535 1.00 0.00 H new ATOM 0 HA ASN A 111 11.004 7.805 13.456 1.00 0.00 H new ATOM 0 HB2 ASN A 111 11.932 6.047 11.141 1.00 0.00 H new ATOM 0 HB3 ASN A 111 12.248 7.771 11.132 1.00 0.00 H new ATOM 0 HD21 ASN A 111 15.315 6.127 12.320 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.353 6.297 10.848 1.00 0.00 H new ATOM 1693 N LEU A 112 8.921 7.070 11.103 1.00 0.00 N ATOM 1694 CA LEU A 112 7.870 7.434 10.204 1.00 0.00 C ATOM 1695 C LEU A 112 6.839 8.367 10.738 1.00 0.00 C ATOM 1696 O LEU A 112 6.593 9.360 10.056 1.00 0.00 O ATOM 1697 CB LEU A 112 7.225 6.197 9.556 1.00 0.00 C ATOM 1698 CG LEU A 112 6.451 6.434 8.248 1.00 0.00 C ATOM 1699 CD1 LEU A 112 7.302 6.574 6.975 1.00 0.00 C ATOM 1700 CD2 LEU A 112 5.352 5.364 8.130 1.00 0.00 C ATOM 0 H LEU A 112 8.976 6.056 11.197 1.00 0.00 H new ATOM 0 HA LEU A 112 8.380 8.019 9.438 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.009 5.466 9.361 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.544 5.749 10.279 1.00 0.00 H new ATOM 0 HG LEU A 112 6.004 7.425 8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.650 6.738 6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.980 7.421 7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 112 7.881 5.663 6.822 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.793 5.517 7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.808 4.374 8.118 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.676 5.442 8.981 1.00 0.00 H new ATOM 1712 N GLY A 113 6.207 8.064 11.886 1.00 0.00 N ATOM 1713 CA GLY A 113 5.274 8.989 12.451 1.00 0.00 C ATOM 1714 C GLY A 113 4.652 8.464 13.699 1.00 0.00 C ATOM 1715 O GLY A 113 4.901 8.948 14.802 1.00 0.00 O ATOM 0 H GLY A 113 6.337 7.200 12.413 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.781 9.929 12.667 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.494 9.208 11.722 1.00 0.00 H new ATOM 1719 N GLU A 114 3.829 7.402 13.638 1.00 0.00 N ATOM 1720 CA GLU A 114 3.036 6.934 14.732 1.00 0.00 C ATOM 1721 C GLU A 114 3.873 6.327 15.805 1.00 0.00 C ATOM 1722 O GLU A 114 4.969 5.873 15.483 1.00 0.00 O ATOM 1723 CB GLU A 114 1.920 5.960 14.315 1.00 0.00 C ATOM 1724 CG GLU A 114 0.885 6.688 13.455 1.00 0.00 C ATOM 1725 CD GLU A 114 -0.036 5.650 12.830 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -0.666 4.789 13.500 1.00 0.00 O ATOM 1727 OE2 GLU A 114 0.006 5.593 11.572 1.00 0.00 O ATOM 0 H GLU A 114 3.711 6.846 12.791 1.00 0.00 H new ATOM 0 HA GLU A 114 2.547 7.825 15.127 1.00 0.00 H new ATOM 0 HB2 GLU A 114 2.344 5.124 13.759 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.441 5.543 15.200 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.311 7.387 14.063 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.380 7.272 12.679 1.00 0.00 H new ATOM 1734 N LYS A 115 3.521 6.270 17.102 1.00 0.00 N ATOM 1735 CA LYS A 115 4.203 5.618 18.176 1.00 0.00 C ATOM 1736 C LYS A 115 3.667 4.231 18.262 1.00 0.00 C ATOM 1737 O LYS A 115 2.524 4.040 18.675 1.00 0.00 O ATOM 1738 CB LYS A 115 4.057 6.316 19.539 1.00 0.00 C ATOM 1739 CG LYS A 115 4.764 7.672 19.533 1.00 0.00 C ATOM 1740 CD LYS A 115 4.682 8.412 20.870 1.00 0.00 C ATOM 1741 CE LYS A 115 5.555 9.666 20.944 1.00 0.00 C ATOM 1742 NZ LYS A 115 6.975 9.267 20.823 1.00 0.00 N ATOM 0 H LYS A 115 2.671 6.729 17.429 1.00 0.00 H new ATOM 0 HA LYS A 115 5.270 5.642 17.956 1.00 0.00 H new ATOM 0 HB2 LYS A 115 3.001 6.452 19.771 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.477 5.685 20.323 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.812 7.525 19.273 1.00 0.00 H new ATOM 0 HG3 LYS A 115 4.327 8.297 18.754 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.645 8.693 21.055 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.975 7.731 21.669 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.288 10.359 20.146 1.00 0.00 H new ATOM 0 HE3 LYS A 115 5.388 10.187 21.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.581 10.023 21.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.137 8.392 21.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.206 9.105 19.822 1.00 0.00 H new ATOM 1756 N LEU A 116 4.425 3.168 17.938 1.00 0.00 N ATOM 1757 CA LEU A 116 3.967 1.813 17.906 1.00 0.00 C ATOM 1758 C LEU A 116 4.562 1.151 19.101 1.00 0.00 C ATOM 1759 O LEU A 116 5.742 1.207 19.442 1.00 0.00 O ATOM 1760 CB LEU A 116 4.509 1.077 16.670 1.00 0.00 C ATOM 1761 CG LEU A 116 4.064 1.612 15.298 1.00 0.00 C ATOM 1762 CD1 LEU A 116 4.453 0.537 14.269 1.00 0.00 C ATOM 1763 CD2 LEU A 116 2.553 1.861 15.158 1.00 0.00 C ATOM 0 H LEU A 116 5.409 3.259 17.685 1.00 0.00 H new ATOM 0 HA LEU A 116 2.877 1.789 17.885 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.598 1.103 16.709 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.213 0.030 16.740 1.00 0.00 H new ATOM 0 HG LEU A 116 4.545 2.579 15.154 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.159 0.865 13.272 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.531 0.380 14.297 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.944 -0.397 14.508 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.337 2.237 14.158 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.014 0.927 15.319 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.235 2.596 15.898 1.00 0.00 H new ATOM 1775 N THR A 117 3.737 0.384 19.835 1.00 0.00 N ATOM 1776 CA THR A 117 4.270 -0.457 20.861 1.00 0.00 C ATOM 1777 C THR A 117 4.929 -1.695 20.360 1.00 0.00 C ATOM 1778 O THR A 117 4.932 -2.008 19.170 1.00 0.00 O ATOM 1779 CB THR A 117 3.178 -0.896 21.791 1.00 0.00 C ATOM 1780 OG1 THR A 117 2.103 -1.620 21.211 1.00 0.00 O ATOM 1781 CG2 THR A 117 2.604 0.392 22.406 1.00 0.00 C ATOM 0 H THR A 117 2.724 0.345 19.723 1.00 0.00 H new ATOM 0 HA THR A 117 5.023 0.156 21.357 1.00 0.00 H new ATOM 0 HB THR A 117 3.630 -1.593 22.497 1.00 0.00 H new ATOM 0 HG1 THR A 117 1.454 -1.855 21.907 1.00 0.00 H new ATOM 0 HG21 THR A 117 1.800 0.138 23.097 1.00 0.00 H new ATOM 0 HG22 THR A 117 3.391 0.921 22.944 1.00 0.00 H new ATOM 0 HG23 THR A 117 2.214 1.031 21.614 1.00 0.00 H new ATOM 1789 N ASP A 118 5.687 -2.482 21.145 1.00 0.00 N ATOM 1790 CA ASP A 118 6.311 -3.714 20.778 1.00 0.00 C ATOM 1791 C ASP A 118 5.339 -4.775 20.392 1.00 0.00 C ATOM 1792 O ASP A 118 5.626 -5.503 19.443 1.00 0.00 O ATOM 1793 CB ASP A 118 7.156 -4.202 21.967 1.00 0.00 C ATOM 1794 CG ASP A 118 8.038 -3.091 22.519 1.00 0.00 C ATOM 1795 OD1 ASP A 118 7.562 -2.363 23.431 1.00 0.00 O ATOM 1796 OD2 ASP A 118 9.237 -3.000 22.145 1.00 0.00 O ATOM 0 H ASP A 118 5.877 -2.234 22.116 1.00 0.00 H new ATOM 0 HA ASP A 118 6.927 -3.523 19.899 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.499 -4.571 22.754 1.00 0.00 H new ATOM 0 HB3 ASP A 118 7.779 -5.040 21.653 1.00 0.00 H new ATOM 1801 N GLU A 119 4.148 -4.887 21.008 1.00 0.00 N ATOM 1802 CA GLU A 119 3.038 -5.715 20.653 1.00 0.00 C ATOM 1803 C GLU A 119 2.411 -5.334 19.356 1.00 0.00 C ATOM 1804 O GLU A 119 2.126 -6.195 18.525 1.00 0.00 O ATOM 1805 CB GLU A 119 1.987 -5.641 21.773 1.00 0.00 C ATOM 1806 CG GLU A 119 2.471 -6.262 23.085 1.00 0.00 C ATOM 1807 CD GLU A 119 1.648 -5.800 24.279 1.00 0.00 C ATOM 1808 OE1 GLU A 119 0.507 -6.312 24.437 1.00 0.00 O ATOM 1809 OE2 GLU A 119 2.169 -5.071 25.164 1.00 0.00 O ATOM 0 H GLU A 119 3.945 -4.338 21.843 1.00 0.00 H new ATOM 0 HA GLU A 119 3.415 -6.730 20.531 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.721 -4.598 21.947 1.00 0.00 H new ATOM 0 HB3 GLU A 119 1.080 -6.151 21.448 1.00 0.00 H new ATOM 0 HG2 GLU A 119 2.422 -7.348 23.011 1.00 0.00 H new ATOM 0 HG3 GLU A 119 3.517 -6.001 23.244 1.00 0.00 H new ATOM 1816 N GLU A 120 2.231 -4.030 19.082 1.00 0.00 N ATOM 1817 CA GLU A 120 1.903 -3.502 17.794 1.00 0.00 C ATOM 1818 C GLU A 120 2.934 -3.865 16.782 1.00 0.00 C ATOM 1819 O GLU A 120 2.530 -4.357 15.730 1.00 0.00 O ATOM 1820 CB GLU A 120 1.753 -1.972 17.814 1.00 0.00 C ATOM 1821 CG GLU A 120 0.646 -1.490 16.875 1.00 0.00 C ATOM 1822 CD GLU A 120 -0.702 -1.900 17.451 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -1.177 -1.194 18.381 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -1.325 -2.877 16.956 1.00 0.00 O ATOM 0 H GLU A 120 2.319 -3.307 19.796 1.00 0.00 H new ATOM 0 HA GLU A 120 0.946 -3.946 17.522 1.00 0.00 H new ATOM 0 HB2 GLU A 120 1.535 -1.643 18.830 1.00 0.00 H new ATOM 0 HB3 GLU A 120 2.698 -1.512 17.526 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.694 -0.407 16.761 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.779 -1.921 15.883 1.00 0.00 H new ATOM 1831 N VAL A 121 4.254 -3.645 16.916 1.00 0.00 N ATOM 1832 CA VAL A 121 5.338 -4.130 16.119 1.00 0.00 C ATOM 1833 C VAL A 121 5.298 -5.585 15.800 1.00 0.00 C ATOM 1834 O VAL A 121 5.220 -5.996 14.643 1.00 0.00 O ATOM 1835 CB VAL A 121 6.581 -3.690 16.834 1.00 0.00 C ATOM 1836 CG1 VAL A 121 7.827 -4.252 16.130 1.00 0.00 C ATOM 1837 CG2 VAL A 121 6.680 -2.168 16.633 1.00 0.00 C ATOM 0 H VAL A 121 4.598 -3.057 17.675 1.00 0.00 H new ATOM 0 HA VAL A 121 5.284 -3.709 15.115 1.00 0.00 H new ATOM 0 HB VAL A 121 6.536 -4.013 17.874 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.722 -3.925 16.659 1.00 0.00 H new ATOM 0 HG12 VAL A 121 7.784 -5.341 16.128 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.860 -3.889 15.103 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.571 -1.792 17.135 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.742 -1.945 15.568 1.00 0.00 H new ATOM 0 HG23 VAL A 121 5.797 -1.687 17.053 1.00 0.00 H new ATOM 1847 N ASP A 122 5.377 -6.434 16.840 1.00 0.00 N ATOM 1848 CA ASP A 122 5.253 -7.848 16.663 1.00 0.00 C ATOM 1849 C ASP A 122 4.127 -8.358 15.830 1.00 0.00 C ATOM 1850 O ASP A 122 4.375 -9.151 14.924 1.00 0.00 O ATOM 1851 CB ASP A 122 5.022 -8.557 18.007 1.00 0.00 C ATOM 1852 CG ASP A 122 6.251 -8.618 18.903 1.00 0.00 C ATOM 1853 OD1 ASP A 122 7.388 -8.504 18.373 1.00 0.00 O ATOM 1854 OD2 ASP A 122 6.046 -8.724 20.142 1.00 0.00 O ATOM 0 H ASP A 122 5.527 -6.141 17.805 1.00 0.00 H new ATOM 0 HA ASP A 122 6.195 -8.061 16.158 1.00 0.00 H new ATOM 0 HB2 ASP A 122 4.222 -8.045 18.542 1.00 0.00 H new ATOM 0 HB3 ASP A 122 4.677 -9.573 17.814 1.00 0.00 H new ATOM 1859 N GLU A 123 2.895 -7.912 16.133 1.00 0.00 N ATOM 1860 CA GLU A 123 1.691 -8.241 15.434 1.00 0.00 C ATOM 1861 C GLU A 123 1.725 -7.789 14.015 1.00 0.00 C ATOM 1862 O GLU A 123 1.244 -8.510 13.143 1.00 0.00 O ATOM 1863 CB GLU A 123 0.519 -7.682 16.259 1.00 0.00 C ATOM 1864 CG GLU A 123 -0.792 -8.263 15.725 1.00 0.00 C ATOM 1865 CD GLU A 123 -1.934 -7.969 16.688 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -2.536 -6.864 16.623 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -2.230 -8.821 17.567 1.00 0.00 O ATOM 0 H GLU A 123 2.730 -7.281 16.917 1.00 0.00 H new ATOM 0 HA GLU A 123 1.567 -9.320 15.347 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.643 -7.939 17.311 1.00 0.00 H new ATOM 0 HB3 GLU A 123 0.501 -6.594 16.197 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.014 -7.837 14.747 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.691 -9.340 15.588 1.00 0.00 H new ATOM 1874 N MET A 124 2.305 -6.614 13.714 1.00 0.00 N ATOM 1875 CA MET A 124 2.392 -6.113 12.377 1.00 0.00 C ATOM 1876 C MET A 124 3.251 -6.969 11.511 1.00 0.00 C ATOM 1877 O MET A 124 2.878 -7.212 10.364 1.00 0.00 O ATOM 1878 CB MET A 124 3.063 -4.729 12.404 1.00 0.00 C ATOM 1879 CG MET A 124 3.419 -4.018 11.097 1.00 0.00 C ATOM 1880 SD MET A 124 4.066 -2.324 11.231 1.00 0.00 S ATOM 1881 CE MET A 124 2.594 -1.302 11.522 1.00 0.00 C ATOM 0 H MET A 124 2.722 -5.999 14.413 1.00 0.00 H new ATOM 0 HA MET A 124 1.377 -6.086 11.981 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.407 -4.063 12.965 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.984 -4.828 12.979 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.159 -4.623 10.572 1.00 0.00 H new ATOM 0 HG3 MET A 124 2.527 -3.992 10.471 1.00 0.00 H new ATOM 0 HE1 MET A 124 2.889 -0.257 11.616 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.905 -1.410 10.685 1.00 0.00 H new ATOM 0 HE3 MET A 124 2.103 -1.624 12.440 1.00 0.00 H new ATOM 1891 N ILE A 125 4.345 -7.535 12.050 1.00 0.00 N ATOM 1892 CA ILE A 125 5.302 -8.291 11.304 1.00 0.00 C ATOM 1893 C ILE A 125 4.840 -9.706 11.219 1.00 0.00 C ATOM 1894 O ILE A 125 4.952 -10.313 10.155 1.00 0.00 O ATOM 1895 CB ILE A 125 6.566 -8.358 12.110 1.00 0.00 C ATOM 1896 CG1 ILE A 125 7.232 -6.974 12.190 1.00 0.00 C ATOM 1897 CG2 ILE A 125 7.592 -9.205 11.339 1.00 0.00 C ATOM 1898 CD1 ILE A 125 8.237 -6.747 13.319 1.00 0.00 C ATOM 0 H ILE A 125 4.572 -7.464 13.042 1.00 0.00 H new ATOM 0 HA ILE A 125 5.436 -7.836 10.323 1.00 0.00 H new ATOM 0 HB ILE A 125 6.309 -8.751 13.094 1.00 0.00 H new ATOM 0 HG12 ILE A 125 7.739 -6.788 11.243 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.445 -6.225 12.282 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.518 -9.264 11.911 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.195 -10.208 11.187 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.792 -8.743 10.372 1.00 0.00 H new ATOM 0 HD11 ILE A 125 8.630 -5.732 13.258 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.742 -6.888 14.280 1.00 0.00 H new ATOM 0 HD13 ILE A 125 9.057 -7.459 13.225 1.00 0.00 H new ATOM 1910 N ARG A 126 4.179 -10.239 12.261 1.00 0.00 N ATOM 1911 CA ARG A 126 3.619 -11.552 12.348 1.00 0.00 C ATOM 1912 C ARG A 126 2.518 -11.837 11.386 1.00 0.00 C ATOM 1913 O ARG A 126 2.531 -12.880 10.735 1.00 0.00 O ATOM 1914 CB ARG A 126 3.185 -11.773 13.807 1.00 0.00 C ATOM 1915 CG ARG A 126 2.434 -13.093 13.991 1.00 0.00 C ATOM 1916 CD ARG A 126 2.002 -13.579 15.376 1.00 0.00 C ATOM 1917 NE ARG A 126 1.228 -14.812 15.054 1.00 0.00 N ATOM 1918 CZ ARG A 126 1.145 -15.865 15.918 1.00 0.00 C ATOM 1919 NH1 ARG A 126 1.530 -15.879 17.227 1.00 0.00 N ATOM 1920 NH2 ARG A 126 0.529 -17.017 15.522 1.00 0.00 N ATOM 0 H ARG A 126 4.024 -9.704 13.116 1.00 0.00 H new ATOM 0 HA ARG A 126 4.389 -12.265 12.052 1.00 0.00 H new ATOM 0 HB2 ARG A 126 4.064 -11.764 14.451 1.00 0.00 H new ATOM 0 HB3 ARG A 126 2.548 -10.947 14.124 1.00 0.00 H new ATOM 0 HG2 ARG A 126 1.533 -13.033 13.381 1.00 0.00 H new ATOM 0 HG3 ARG A 126 3.059 -13.876 13.561 1.00 0.00 H new ATOM 0 HD2 ARG A 126 2.857 -13.792 16.017 1.00 0.00 H new ATOM 0 HD3 ARG A 126 1.391 -12.839 15.894 1.00 0.00 H new ATOM 0 HE ARG A 126 0.744 -14.870 14.158 1.00 0.00 H new ATOM 0 HH11 ARG A 126 1.927 -15.040 17.651 1.00 0.00 H new ATOM 0 HH12 ARG A 126 1.421 -16.728 17.782 1.00 0.00 H new ATOM 0 HH21 ARG A 126 0.134 -17.088 14.584 1.00 0.00 H new ATOM 0 HH22 ARG A 126 0.464 -17.807 16.164 1.00 0.00 H new ATOM 1934 N GLU A 127 1.655 -10.834 11.144 1.00 0.00 N ATOM 1935 CA GLU A 127 0.603 -10.942 10.181 1.00 0.00 C ATOM 1936 C GLU A 127 1.066 -10.847 8.768 1.00 0.00 C ATOM 1937 O GLU A 127 0.540 -11.490 7.861 1.00 0.00 O ATOM 1938 CB GLU A 127 -0.551 -9.946 10.387 1.00 0.00 C ATOM 1939 CG GLU A 127 -1.875 -10.173 9.654 1.00 0.00 C ATOM 1940 CD GLU A 127 -2.717 -11.292 10.250 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -2.383 -12.492 10.062 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -3.777 -10.998 10.864 1.00 0.00 O ATOM 0 H GLU A 127 1.688 -9.935 11.624 1.00 0.00 H new ATOM 0 HA GLU A 127 0.224 -11.948 10.361 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.769 -9.913 11.454 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.186 -8.958 10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.452 -9.248 9.668 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.667 -10.403 8.609 1.00 0.00 H new ATOM 1949 N ALA A 128 2.149 -10.098 8.494 1.00 0.00 N ATOM 1950 CA ALA A 128 2.719 -9.723 7.237 1.00 0.00 C ATOM 1951 C ALA A 128 3.475 -10.862 6.645 1.00 0.00 C ATOM 1952 O ALA A 128 3.358 -11.183 5.463 1.00 0.00 O ATOM 1953 CB ALA A 128 3.530 -8.448 7.523 1.00 0.00 C ATOM 0 H ALA A 128 2.695 -9.705 9.261 1.00 0.00 H new ATOM 0 HA ALA A 128 1.984 -9.494 6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.998 -8.100 6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.867 -7.673 7.908 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.301 -8.665 8.262 1.00 0.00 H new ATOM 1959 N ASP A 129 4.424 -11.465 7.382 1.00 0.00 N ATOM 1960 CA ASP A 129 5.324 -12.456 6.876 1.00 0.00 C ATOM 1961 C ASP A 129 4.631 -13.713 6.477 1.00 0.00 C ATOM 1962 O ASP A 129 3.853 -14.178 7.309 1.00 0.00 O ATOM 1963 CB ASP A 129 6.352 -12.717 7.990 1.00 0.00 C ATOM 1964 CG ASP A 129 7.589 -13.534 7.645 1.00 0.00 C ATOM 1965 OD1 ASP A 129 7.766 -13.932 6.463 1.00 0.00 O ATOM 1966 OD2 ASP A 129 8.417 -13.795 8.558 1.00 0.00 O ATOM 0 H ASP A 129 4.571 -11.255 8.369 1.00 0.00 H new ATOM 0 HA ASP A 129 5.803 -12.095 5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 129 6.685 -11.751 8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.837 -13.221 8.808 1.00 0.00 H new ATOM 1971 N ILE A 130 4.834 -14.420 5.351 1.00 0.00 N ATOM 1972 CA ILE A 130 4.459 -15.796 5.248 1.00 0.00 C ATOM 1973 C ILE A 130 5.493 -16.830 5.534 1.00 0.00 C ATOM 1974 O ILE A 130 5.253 -17.938 6.011 1.00 0.00 O ATOM 1975 CB ILE A 130 3.820 -16.090 3.923 1.00 0.00 C ATOM 1976 CG1 ILE A 130 2.347 -15.648 3.885 1.00 0.00 C ATOM 1977 CG2 ILE A 130 3.807 -17.573 3.518 1.00 0.00 C ATOM 1978 CD1 ILE A 130 1.789 -15.414 2.482 1.00 0.00 C ATOM 0 H ILE A 130 5.260 -14.036 4.508 1.00 0.00 H new ATOM 0 HA ILE A 130 3.753 -15.892 6.073 1.00 0.00 H new ATOM 0 HB ILE A 130 4.448 -15.530 3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.741 -16.406 4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 130 2.242 -14.729 4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 130 3.324 -17.681 2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 130 4.831 -17.943 3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 130 3.257 -18.149 4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 130 0.746 -15.106 2.552 1.00 0.00 H new ATOM 0 HD12 ILE A 130 2.366 -14.633 1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.857 -16.336 1.905 1.00 0.00 H new ATOM 1990 N ASP A 131 6.752 -16.465 5.234 1.00 0.00 N ATOM 1991 CA ASP A 131 7.868 -17.358 5.190 1.00 0.00 C ATOM 1992 C ASP A 131 8.285 -17.769 6.560 1.00 0.00 C ATOM 1993 O ASP A 131 8.631 -18.935 6.743 1.00 0.00 O ATOM 1994 CB ASP A 131 9.053 -16.692 4.471 1.00 0.00 C ATOM 1995 CG ASP A 131 8.767 -16.053 3.119 1.00 0.00 C ATOM 1996 OD1 ASP A 131 8.328 -16.802 2.206 1.00 0.00 O ATOM 1997 OD2 ASP A 131 8.844 -14.801 2.998 1.00 0.00 O ATOM 0 H ASP A 131 7.004 -15.502 5.012 1.00 0.00 H new ATOM 0 HA ASP A 131 7.561 -18.248 4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 131 9.462 -15.925 5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 131 9.832 -17.442 4.334 1.00 0.00 H new ATOM 2002 N GLY A 132 8.269 -16.857 7.549 1.00 0.00 N ATOM 2003 CA GLY A 132 8.766 -17.124 8.863 1.00 0.00 C ATOM 2004 C GLY A 132 10.244 -16.932 8.849 1.00 0.00 C ATOM 2005 O GLY A 132 10.889 -17.380 9.796 1.00 0.00 O ATOM 0 H GLY A 132 7.902 -15.912 7.433 1.00 0.00 H new ATOM 0 HA2 GLY A 132 8.303 -16.455 9.588 1.00 0.00 H new ATOM 0 HA3 GLY A 132 8.518 -18.142 9.164 1.00 0.00 H new ATOM 2009 N ASP A 133 10.748 -16.178 7.856 1.00 0.00 N ATOM 2010 CA ASP A 133 12.112 -15.746 7.842 1.00 0.00 C ATOM 2011 C ASP A 133 12.289 -14.564 8.731 1.00 0.00 C ATOM 2012 O ASP A 133 13.403 -14.107 8.982 1.00 0.00 O ATOM 2013 CB ASP A 133 12.524 -15.715 6.361 1.00 0.00 C ATOM 2014 CG ASP A 133 12.077 -14.418 5.702 1.00 0.00 C ATOM 2015 OD1 ASP A 133 10.931 -13.911 5.831 1.00 0.00 O ATOM 2016 OD2 ASP A 133 12.975 -13.840 5.032 1.00 0.00 O ATOM 0 H ASP A 133 10.203 -15.864 7.053 1.00 0.00 H new ATOM 0 HA ASP A 133 12.845 -16.408 8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 133 13.606 -15.816 6.278 1.00 0.00 H new ATOM 0 HB3 ASP A 133 12.083 -16.564 5.839 1.00 0.00 H new ATOM 2021 N GLY A 134 11.198 -13.948 9.221 1.00 0.00 N ATOM 2022 CA GLY A 134 11.266 -12.778 10.040 1.00 0.00 C ATOM 2023 C GLY A 134 11.439 -11.494 9.303 1.00 0.00 C ATOM 2024 O GLY A 134 11.417 -10.419 9.901 1.00 0.00 O ATOM 0 H GLY A 134 10.247 -14.271 9.044 1.00 0.00 H new ATOM 0 HA2 GLY A 134 10.354 -12.717 10.634 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.095 -12.891 10.739 1.00 0.00 H new ATOM 2028 N GLN A 135 11.609 -11.504 7.969 1.00 0.00 N ATOM 2029 CA GLN A 135 11.644 -10.289 7.216 1.00 0.00 C ATOM 2030 C GLN A 135 10.451 -10.111 6.340 1.00 0.00 C ATOM 2031 O GLN A 135 9.739 -11.044 5.975 1.00 0.00 O ATOM 2032 CB GLN A 135 12.832 -10.311 6.240 1.00 0.00 C ATOM 2033 CG GLN A 135 14.174 -10.770 6.814 1.00 0.00 C ATOM 2034 CD GLN A 135 15.340 -10.768 5.835 1.00 0.00 C ATOM 2035 OE1 GLN A 135 16.165 -9.867 5.692 1.00 0.00 O ATOM 2036 NE2 GLN A 135 15.462 -11.975 5.221 1.00 0.00 N ATOM 0 H GLN A 135 11.722 -12.351 7.413 1.00 0.00 H new ATOM 0 HA GLN A 135 11.700 -9.494 7.959 1.00 0.00 H new ATOM 0 HB2 GLN A 135 12.576 -10.963 5.405 1.00 0.00 H new ATOM 0 HB3 GLN A 135 12.959 -9.308 5.834 1.00 0.00 H new ATOM 0 HG2 GLN A 135 14.428 -10.127 7.656 1.00 0.00 H new ATOM 0 HG3 GLN A 135 14.055 -11.779 7.208 1.00 0.00 H new ATOM 0 HE21 GLN A 135 14.755 -12.695 5.367 1.00 0.00 H new ATOM 0 HE22 GLN A 135 16.261 -12.160 4.615 1.00 0.00 H new ATOM 2045 N VAL A 136 10.130 -8.836 6.052 1.00 0.00 N ATOM 2046 CA VAL A 136 9.102 -8.479 5.126 1.00 0.00 C ATOM 2047 C VAL A 136 9.592 -8.170 3.753 1.00 0.00 C ATOM 2048 O VAL A 136 10.473 -7.323 3.613 1.00 0.00 O ATOM 2049 CB VAL A 136 8.313 -7.416 5.833 1.00 0.00 C ATOM 2050 CG1 VAL A 136 7.541 -6.533 4.839 1.00 0.00 C ATOM 2051 CG2 VAL A 136 7.505 -8.051 6.978 1.00 0.00 C ATOM 0 H VAL A 136 10.598 -8.034 6.474 1.00 0.00 H new ATOM 0 HA VAL A 136 8.447 -9.314 4.878 1.00 0.00 H new ATOM 0 HB VAL A 136 8.971 -6.699 6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 136 6.981 -5.774 5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 136 8.244 -6.048 4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 136 6.850 -7.150 4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 136 6.932 -7.279 7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 136 6.824 -8.798 6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 136 8.186 -8.527 7.684 1.00 0.00 H new ATOM 2061 N ASN A 137 9.033 -8.771 2.688 1.00 0.00 N ATOM 2062 CA ASN A 137 9.327 -8.489 1.317 1.00 0.00 C ATOM 2063 C ASN A 137 8.309 -7.571 0.733 1.00 0.00 C ATOM 2064 O ASN A 137 7.462 -7.041 1.450 1.00 0.00 O ATOM 2065 CB ASN A 137 9.520 -9.743 0.447 1.00 0.00 C ATOM 2066 CG ASN A 137 8.430 -10.804 0.395 1.00 0.00 C ATOM 2067 OD1 ASN A 137 7.277 -10.428 0.191 1.00 0.00 O ATOM 2068 ND2 ASN A 137 8.755 -12.108 0.605 1.00 0.00 N ATOM 0 H ASN A 137 8.329 -9.502 2.792 1.00 0.00 H new ATOM 0 HA ASN A 137 10.294 -7.987 1.316 1.00 0.00 H new ATOM 0 HB2 ASN A 137 9.694 -9.406 -0.575 1.00 0.00 H new ATOM 0 HB3 ASN A 137 10.435 -10.233 0.781 1.00 0.00 H new ATOM 0 HD21 ASN A 137 8.027 -12.823 0.597 1.00 0.00 H new ATOM 0 HD22 ASN A 137 9.727 -12.371 0.770 1.00 0.00 H new ATOM 2075 N TYR A 138 8.290 -7.375 -0.597 1.00 0.00 N ATOM 2076 CA TYR A 138 7.455 -6.358 -1.156 1.00 0.00 C ATOM 2077 C TYR A 138 6.030 -6.788 -1.094 1.00 0.00 C ATOM 2078 O TYR A 138 5.204 -5.962 -0.708 1.00 0.00 O ATOM 2079 CB TYR A 138 8.059 -6.076 -2.542 1.00 0.00 C ATOM 2080 CG TYR A 138 7.070 -5.211 -3.244 1.00 0.00 C ATOM 2081 CD1 TYR A 138 6.835 -3.916 -2.844 1.00 0.00 C ATOM 2082 CD2 TYR A 138 6.277 -5.743 -4.233 1.00 0.00 C ATOM 2083 CE1 TYR A 138 5.733 -3.270 -3.351 1.00 0.00 C ATOM 2084 CE2 TYR A 138 5.251 -5.022 -4.797 1.00 0.00 C ATOM 2085 CZ TYR A 138 4.966 -3.739 -4.391 1.00 0.00 C ATOM 2086 OH TYR A 138 3.828 -3.033 -4.837 1.00 0.00 O ATOM 0 H TYR A 138 8.839 -7.907 -1.272 1.00 0.00 H new ATOM 0 HA TYR A 138 7.432 -5.413 -0.614 1.00 0.00 H new ATOM 0 HB2 TYR A 138 9.024 -5.576 -2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 138 8.229 -7.002 -3.091 1.00 0.00 H new ATOM 0 HD1 TYR A 138 7.498 -3.421 -2.151 1.00 0.00 H new ATOM 0 HD2 TYR A 138 6.464 -6.750 -4.575 1.00 0.00 H new ATOM 0 HE1 TYR A 138 5.450 -2.330 -2.902 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.655 -5.473 -5.577 1.00 0.00 H new ATOM 0 HH TYR A 138 3.413 -3.517 -5.581 1.00 0.00 H new ATOM 2096 N GLU A 139 5.685 -8.058 -1.375 1.00 0.00 N ATOM 2097 CA GLU A 139 4.340 -8.539 -1.429 1.00 0.00 C ATOM 2098 C GLU A 139 3.816 -8.506 -0.035 1.00 0.00 C ATOM 2099 O GLU A 139 2.634 -8.217 0.151 1.00 0.00 O ATOM 2100 CB GLU A 139 4.305 -9.917 -2.112 1.00 0.00 C ATOM 2101 CG GLU A 139 2.967 -10.420 -2.657 1.00 0.00 C ATOM 2102 CD GLU A 139 3.232 -11.693 -3.449 1.00 0.00 C ATOM 2103 OE1 GLU A 139 4.105 -12.481 -2.997 1.00 0.00 O ATOM 2104 OE2 GLU A 139 2.464 -12.096 -4.363 1.00 0.00 O ATOM 0 H GLU A 139 6.376 -8.782 -1.573 1.00 0.00 H new ATOM 0 HA GLU A 139 3.686 -7.918 -2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 139 5.015 -9.897 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 139 4.671 -10.653 -1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 139 2.272 -10.617 -1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 139 2.506 -9.664 -3.293 1.00 0.00 H new ATOM 2111 N GLU A 140 4.630 -8.873 0.970 1.00 0.00 N ATOM 2112 CA GLU A 140 4.335 -8.714 2.360 1.00 0.00 C ATOM 2113 C GLU A 140 4.067 -7.324 2.826 1.00 0.00 C ATOM 2114 O GLU A 140 3.150 -7.039 3.594 1.00 0.00 O ATOM 2115 CB GLU A 140 5.472 -9.446 3.093 1.00 0.00 C ATOM 2116 CG GLU A 140 5.552 -10.937 2.760 1.00 0.00 C ATOM 2117 CD GLU A 140 6.695 -11.713 3.400 1.00 0.00 C ATOM 2118 OE1 GLU A 140 7.789 -11.105 3.544 1.00 0.00 O ATOM 2119 OE2 GLU A 140 6.563 -12.924 3.719 1.00 0.00 O ATOM 0 H GLU A 140 5.540 -9.303 0.805 1.00 0.00 H new ATOM 0 HA GLU A 140 3.364 -9.152 2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 140 6.421 -8.974 2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 140 5.335 -9.329 4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 140 4.613 -11.404 3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 140 5.632 -11.042 1.678 1.00 0.00 H new ATOM 2126 N PHE A 141 4.900 -6.368 2.377 1.00 0.00 N ATOM 2127 CA PHE A 141 4.713 -4.966 2.591 1.00 0.00 C ATOM 2128 C PHE A 141 3.429 -4.465 2.025 1.00 0.00 C ATOM 2129 O PHE A 141 2.664 -3.695 2.603 1.00 0.00 O ATOM 2130 CB PHE A 141 5.876 -4.115 2.051 1.00 0.00 C ATOM 2131 CG PHE A 141 5.911 -2.758 2.665 1.00 0.00 C ATOM 2132 CD1 PHE A 141 6.114 -2.637 4.019 1.00 0.00 C ATOM 2133 CD2 PHE A 141 5.887 -1.650 1.852 1.00 0.00 C ATOM 2134 CE1 PHE A 141 6.217 -1.370 4.545 1.00 0.00 C ATOM 2135 CE2 PHE A 141 6.050 -0.413 2.431 1.00 0.00 C ATOM 2136 CZ PHE A 141 6.114 -0.224 3.792 1.00 0.00 C ATOM 0 H PHE A 141 5.741 -6.582 1.841 1.00 0.00 H new ATOM 0 HA PHE A 141 4.683 -4.854 3.675 1.00 0.00 H new ATOM 0 HB2 PHE A 141 6.819 -4.625 2.247 1.00 0.00 H new ATOM 0 HB3 PHE A 141 5.783 -4.020 0.969 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.190 -3.510 4.651 1.00 0.00 H new ATOM 0 HD2 PHE A 141 5.744 -1.748 0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 141 6.388 -1.270 5.607 1.00 0.00 H new ATOM 0 HE2 PHE A 141 6.132 0.450 1.787 1.00 0.00 H new ATOM 0 HZ PHE A 141 6.085 0.759 4.239 1.00 0.00 H new ATOM 2146 N VAL A 142 3.090 -4.988 0.833 1.00 0.00 N ATOM 2147 CA VAL A 142 1.815 -4.687 0.261 1.00 0.00 C ATOM 2148 C VAL A 142 0.681 -5.091 1.140 1.00 0.00 C ATOM 2149 O VAL A 142 -0.161 -4.270 1.499 1.00 0.00 O ATOM 2150 CB VAL A 142 1.719 -5.248 -1.127 1.00 0.00 C ATOM 2151 CG1 VAL A 142 0.379 -4.856 -1.772 1.00 0.00 C ATOM 2152 CG2 VAL A 142 2.803 -4.690 -2.064 1.00 0.00 C ATOM 0 H VAL A 142 3.682 -5.605 0.277 1.00 0.00 H new ATOM 0 HA VAL A 142 1.730 -3.603 0.179 1.00 0.00 H new ATOM 0 HB VAL A 142 1.830 -6.326 -1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 142 0.325 -5.271 -2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.442 -5.249 -1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.303 -3.770 -1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 142 2.688 -5.129 -3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.702 -3.607 -2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 142 3.788 -4.939 -1.669 1.00 0.00 H new ATOM 2162 N GLN A 143 0.635 -6.368 1.561 1.00 0.00 N ATOM 2163 CA GLN A 143 -0.347 -6.796 2.508 1.00 0.00 C ATOM 2164 C GLN A 143 -0.565 -6.075 3.794 1.00 0.00 C ATOM 2165 O GLN A 143 -1.658 -5.644 4.158 1.00 0.00 O ATOM 2166 CB GLN A 143 -0.095 -8.305 2.665 1.00 0.00 C ATOM 2167 CG GLN A 143 -1.284 -9.106 3.198 1.00 0.00 C ATOM 2168 CD GLN A 143 -2.226 -9.313 2.020 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -3.239 -8.625 1.916 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -1.982 -10.331 1.151 1.00 0.00 N ATOM 0 H GLN A 143 1.273 -7.100 1.248 1.00 0.00 H new ATOM 0 HA GLN A 143 -1.317 -6.523 2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 143 0.194 -8.713 1.696 1.00 0.00 H new ATOM 0 HB3 GLN A 143 0.751 -8.449 3.337 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -0.956 -10.062 3.606 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -1.783 -8.569 4.005 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -1.137 -10.894 1.249 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -2.644 -10.531 0.401 1.00 0.00 H new ATOM 2179 N MET A 144 0.550 -5.814 4.500 1.00 0.00 N ATOM 2180 CA MET A 144 0.860 -4.943 5.591 1.00 0.00 C ATOM 2181 C MET A 144 0.339 -3.550 5.491 1.00 0.00 C ATOM 2182 O MET A 144 -0.444 -3.035 6.287 1.00 0.00 O ATOM 2183 CB MET A 144 2.362 -4.746 5.855 1.00 0.00 C ATOM 2184 CG MET A 144 2.822 -3.844 7.002 1.00 0.00 C ATOM 2185 SD MET A 144 4.615 -3.543 6.966 1.00 0.00 S ATOM 2186 CE MET A 144 5.101 -5.267 7.260 1.00 0.00 C ATOM 0 H MET A 144 1.397 -6.322 4.244 1.00 0.00 H new ATOM 0 HA MET A 144 0.362 -5.493 6.389 1.00 0.00 H new ATOM 0 HB2 MET A 144 2.794 -5.732 6.024 1.00 0.00 H new ATOM 0 HB3 MET A 144 2.805 -4.357 4.938 1.00 0.00 H new ATOM 0 HG2 MET A 144 2.295 -2.892 6.946 1.00 0.00 H new ATOM 0 HG3 MET A 144 2.552 -4.303 7.953 1.00 0.00 H new ATOM 0 HE1 MET A 144 6.157 -5.307 7.527 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.505 -5.679 8.074 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.934 -5.852 6.355 1.00 0.00 H new ATOM 2196 N MET A 145 0.588 -2.819 4.390 1.00 0.00 N ATOM 2197 CA MET A 145 0.139 -1.474 4.212 1.00 0.00 C ATOM 2198 C MET A 145 -1.274 -1.417 3.741 1.00 0.00 C ATOM 2199 O MET A 145 -2.045 -0.616 4.267 1.00 0.00 O ATOM 2200 CB MET A 145 1.014 -0.782 3.153 1.00 0.00 C ATOM 2201 CG MET A 145 2.430 -0.511 3.664 1.00 0.00 C ATOM 2202 SD MET A 145 2.636 0.810 4.897 1.00 0.00 S ATOM 2203 CE MET A 145 2.407 2.331 3.932 1.00 0.00 C ATOM 0 H MET A 145 1.120 -3.177 3.597 1.00 0.00 H new ATOM 0 HA MET A 145 0.210 -0.976 5.179 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.064 -1.406 2.261 1.00 0.00 H new ATOM 0 HB3 MET A 145 0.549 0.159 2.858 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.816 -1.436 4.093 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.058 -0.272 2.806 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.512 3.196 4.586 1.00 0.00 H new ATOM 0 HE2 MET A 145 3.159 2.379 3.144 1.00 0.00 H new ATOM 0 HE3 MET A 145 1.413 2.332 3.485 1.00 0.00 H new