USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 919 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 112 ASN : amide:sc= -0.0133 K(o=-0.47,f=-1.5) USER MOD Set 1.2: A 115 MET CE :methyl -174:sc= -0.46 (180deg=-0.625) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.011) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.787 USER MOD Single : A 27 SER OG : rot -135:sc= 0.77 USER MOD Single : A 35 CYS SG : rot 133:sc= 0.513 USER MOD Single : A 37 GLN : amide:sc= -0.0454 K(o=-0.045,f=-1.6) USER MOD Single : A 38 ASN : amide:sc= -0.706 K(o=-0.71,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00815 USER MOD Single : A 45 THR OG1 : rot 82:sc= -0.204 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -9:sc= 0.492 USER MOD Single : A 57 MET CE :methyl -148:sc= 0 (180deg=-1.32) USER MOD Single : A 59 GLN : amide:sc= -1.25 X(o=-1.2,f=-0.79) USER MOD Single : A 62 GLN : amide:sc= -0.0317 X(o=-0.032,f=-0.014) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.26) USER MOD Single : A 88 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0567) USER MOD Single : A 91 THR OG1 : rot 43:sc= 0.0721 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 79:sc= 0.356 USER MOD Single : A 105 SER OG : rot -33:sc= 0.0192 USER MOD Single : A 109 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.585) USER MOD Single : A 111 SER OG : rot -53:sc= 0.0466 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.7) USER MOD Single : A 131 TYR OH : rot 82:sc= 2.06 USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 40 N ASP A 5 -22.189 12.690 -8.553 1.00 0.00 N ATOM 41 CA ASP A 5 -21.034 11.813 -8.361 1.00 0.00 C ATOM 42 C ASP A 5 -20.108 12.369 -7.282 1.00 0.00 C ATOM 43 O ASP A 5 -19.280 13.241 -7.549 1.00 0.00 O ATOM 44 CB ASP A 5 -20.266 11.634 -9.675 1.00 0.00 C ATOM 45 CG ASP A 5 -21.145 11.133 -10.807 1.00 0.00 C ATOM 46 OD1 ASP A 5 -21.467 9.926 -10.819 1.00 0.00 O ATOM 47 OD2 ASP A 5 -21.512 11.948 -11.680 1.00 0.00 O ATOM 0 HA ASP A 5 -21.400 10.839 -8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -19.819 12.586 -9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -19.447 10.932 -9.519 1.00 0.00 H new ATOM 52 N SER A 6 -20.261 11.862 -6.061 1.00 0.00 N ATOM 53 CA SER A 6 -19.446 12.307 -4.930 1.00 0.00 C ATOM 54 C SER A 6 -17.970 11.911 -5.090 1.00 0.00 C ATOM 55 O SER A 6 -17.086 12.739 -4.871 1.00 0.00 O ATOM 56 CB SER A 6 -20.001 11.745 -3.618 1.00 0.00 C ATOM 57 OG SER A 6 -19.601 12.540 -2.514 1.00 0.00 O ATOM 0 H SER A 6 -20.943 11.141 -5.828 1.00 0.00 H new ATOM 0 HA SER A 6 -19.494 13.396 -4.906 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.089 11.706 -3.667 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.651 10.722 -3.480 1.00 0.00 H new ATOM 0 HG SER A 6 -19.969 12.162 -1.688 1.00 0.00 H new ATOM 63 N PRO A 7 -17.674 10.640 -5.452 1.00 0.00 N ATOM 64 CA PRO A 7 -16.292 10.165 -5.612 1.00 0.00 C ATOM 65 C PRO A 7 -15.637 10.562 -6.942 1.00 0.00 C ATOM 66 O PRO A 7 -14.422 10.418 -7.095 1.00 0.00 O ATOM 67 CB PRO A 7 -16.443 8.646 -5.529 1.00 0.00 C ATOM 68 CG PRO A 7 -17.808 8.369 -6.059 1.00 0.00 C ATOM 69 CD PRO A 7 -18.656 9.565 -5.712 1.00 0.00 C ATOM 0 HA PRO A 7 -15.638 10.605 -4.860 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.679 8.140 -6.119 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -16.338 8.294 -4.503 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.781 8.213 -7.137 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -18.219 7.461 -5.616 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -19.328 9.828 -6.529 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -19.278 9.373 -4.837 1.00 0.00 H new ATOM 77 N TYR A 8 -16.431 11.039 -7.907 1.00 0.00 N ATOM 78 CA TYR A 8 -15.894 11.423 -9.215 1.00 0.00 C ATOM 79 C TYR A 8 -15.967 12.935 -9.444 1.00 0.00 C ATOM 80 O TYR A 8 -14.939 13.591 -9.600 1.00 0.00 O ATOM 81 CB TYR A 8 -16.643 10.688 -10.338 1.00 0.00 C ATOM 82 CG TYR A 8 -17.029 9.263 -9.995 1.00 0.00 C ATOM 83 CD1 TYR A 8 -16.133 8.407 -9.368 1.00 0.00 C ATOM 84 CD2 TYR A 8 -18.293 8.776 -10.301 1.00 0.00 C ATOM 85 CE1 TYR A 8 -16.485 7.109 -9.054 1.00 0.00 C ATOM 86 CE2 TYR A 8 -18.653 7.480 -9.991 1.00 0.00 C ATOM 87 CZ TYR A 8 -17.746 6.649 -9.368 1.00 0.00 C ATOM 88 OH TYR A 8 -18.101 5.358 -9.056 1.00 0.00 O ATOM 0 H TYR A 8 -17.438 11.167 -7.808 1.00 0.00 H new ATOM 0 HA TYR A 8 -14.843 11.135 -9.230 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -17.545 11.248 -10.585 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -16.018 10.679 -11.231 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -15.143 8.763 -9.122 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -19.007 9.422 -10.790 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -15.776 6.458 -8.565 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -19.641 7.118 -10.235 1.00 0.00 H new ATOM 0 HH TYR A 8 -19.023 5.194 -9.344 1.00 0.00 H new ATOM 98 N LYS A 9 -17.188 13.475 -9.477 1.00 0.00 N ATOM 99 CA LYS A 9 -17.400 14.907 -9.705 1.00 0.00 C ATOM 100 C LYS A 9 -17.004 15.732 -8.481 1.00 0.00 C ATOM 101 O LYS A 9 -16.104 16.572 -8.558 1.00 0.00 O ATOM 102 CB LYS A 9 -18.863 15.180 -10.073 1.00 0.00 C ATOM 103 CG LYS A 9 -19.173 14.973 -11.549 1.00 0.00 C ATOM 104 CD LYS A 9 -19.096 16.278 -12.326 1.00 0.00 C ATOM 105 CE LYS A 9 -19.249 16.051 -13.822 1.00 0.00 C ATOM 106 NZ LYS A 9 -19.088 17.312 -14.599 1.00 0.00 N ATOM 0 H LYS A 9 -18.047 12.940 -9.348 1.00 0.00 H new ATOM 0 HA LYS A 9 -16.762 15.208 -10.536 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -19.505 14.527 -9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -19.112 16.205 -9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -18.470 14.255 -11.972 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -20.169 14.544 -11.655 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -19.877 16.955 -11.979 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -18.141 16.764 -12.127 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.509 15.323 -14.155 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -20.231 15.623 -14.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -19.200 17.111 -15.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -19.810 17.998 -14.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.142 17.708 -14.427 1.00 0.00 H new ATOM 120 N GLN A 10 -17.681 15.489 -7.355 1.00 0.00 N ATOM 121 CA GLN A 10 -17.398 16.211 -6.114 1.00 0.00 C ATOM 122 C GLN A 10 -15.940 16.018 -5.696 1.00 0.00 C ATOM 123 O GLN A 10 -15.244 16.987 -5.383 1.00 0.00 O ATOM 124 CB GLN A 10 -18.334 15.742 -4.994 1.00 0.00 C ATOM 125 CG GLN A 10 -18.684 16.834 -3.991 1.00 0.00 C ATOM 126 CD GLN A 10 -20.165 17.172 -3.981 1.00 0.00 C ATOM 127 OE1 GLN A 10 -21.005 16.318 -3.691 1.00 0.00 O ATOM 128 NE2 GLN A 10 -20.496 18.421 -4.298 1.00 0.00 N ATOM 0 H GLN A 10 -18.428 14.798 -7.279 1.00 0.00 H new ATOM 0 HA GLN A 10 -17.570 17.272 -6.293 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -19.254 15.360 -5.437 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -17.866 14.912 -4.465 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -18.382 16.515 -2.993 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -18.113 17.732 -4.225 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -19.769 19.097 -4.532 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -21.476 18.702 -4.307 1.00 0.00 H new ATOM 137 N ALA A 11 -15.484 14.761 -5.707 1.00 0.00 N ATOM 138 CA ALA A 11 -14.108 14.434 -5.341 1.00 0.00 C ATOM 139 C ALA A 11 -13.115 15.173 -6.232 1.00 0.00 C ATOM 140 O ALA A 11 -12.132 15.726 -5.738 1.00 0.00 O ATOM 141 CB ALA A 11 -13.871 12.933 -5.422 1.00 0.00 C ATOM 0 H ALA A 11 -16.052 13.954 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.951 14.756 -4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.840 12.712 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.548 12.420 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.055 12.590 -6.440 1.00 0.00 H new ATOM 147 N PHE A 12 -13.384 15.190 -7.545 1.00 0.00 N ATOM 148 CA PHE A 12 -12.514 15.879 -8.499 1.00 0.00 C ATOM 149 C PHE A 12 -12.266 17.322 -8.052 1.00 0.00 C ATOM 150 O PHE A 12 -11.125 17.788 -8.049 1.00 0.00 O ATOM 151 CB PHE A 12 -13.128 15.852 -9.904 1.00 0.00 C ATOM 152 CG PHE A 12 -12.437 16.749 -10.895 1.00 0.00 C ATOM 153 CD1 PHE A 12 -12.749 18.098 -10.964 1.00 0.00 C ATOM 154 CD2 PHE A 12 -11.476 16.244 -11.754 1.00 0.00 C ATOM 155 CE1 PHE A 12 -12.115 18.924 -11.869 1.00 0.00 C ATOM 156 CE2 PHE A 12 -10.839 17.066 -12.662 1.00 0.00 C ATOM 157 CZ PHE A 12 -11.159 18.407 -12.719 1.00 0.00 C ATOM 0 H PHE A 12 -14.194 14.736 -7.966 1.00 0.00 H new ATOM 0 HA PHE A 12 -11.557 15.357 -8.531 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -13.105 14.829 -10.279 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -14.176 16.143 -9.836 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.497 18.507 -10.301 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.222 15.195 -11.713 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.367 19.973 -11.912 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.091 16.660 -13.327 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.661 19.052 -13.429 1.00 0.00 H new ATOM 167 N SER A 13 -13.343 18.014 -7.662 1.00 0.00 N ATOM 168 CA SER A 13 -13.250 19.399 -7.196 1.00 0.00 C ATOM 169 C SER A 13 -12.357 19.508 -5.958 1.00 0.00 C ATOM 170 O SER A 13 -11.624 20.485 -5.802 1.00 0.00 O ATOM 171 CB SER A 13 -14.643 19.954 -6.886 1.00 0.00 C ATOM 172 OG SER A 13 -14.610 21.363 -6.741 1.00 0.00 O ATOM 0 H SER A 13 -14.290 17.635 -7.661 1.00 0.00 H new ATOM 0 HA SER A 13 -12.801 19.989 -7.995 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.332 19.684 -7.686 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.023 19.500 -5.971 1.00 0.00 H new ATOM 0 HG SER A 13 -15.512 21.693 -6.545 1.00 0.00 H new ATOM 178 N LEU A 14 -12.420 18.497 -5.082 1.00 0.00 N ATOM 179 CA LEU A 14 -11.610 18.479 -3.862 1.00 0.00 C ATOM 180 C LEU A 14 -10.111 18.523 -4.185 1.00 0.00 C ATOM 181 O LEU A 14 -9.318 19.026 -3.385 1.00 0.00 O ATOM 182 CB LEU A 14 -11.911 17.230 -3.019 1.00 0.00 C ATOM 183 CG LEU A 14 -13.383 16.827 -2.909 1.00 0.00 C ATOM 184 CD1 LEU A 14 -13.551 15.676 -1.928 1.00 0.00 C ATOM 185 CD2 LEU A 14 -14.243 18.010 -2.492 1.00 0.00 C ATOM 0 H LEU A 14 -13.023 17.683 -5.197 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.873 19.369 -3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.357 16.391 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.525 17.395 -2.013 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.715 16.496 -3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.604 15.404 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.975 14.817 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.194 15.981 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -15.284 17.696 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.909 18.379 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -14.153 18.804 -3.233 1.00 0.00 H new ATOM 197 N PHE A 15 -9.727 17.996 -5.356 1.00 0.00 N ATOM 198 CA PHE A 15 -8.321 17.979 -5.772 1.00 0.00 C ATOM 199 C PHE A 15 -7.930 19.252 -6.542 1.00 0.00 C ATOM 200 O PHE A 15 -6.926 19.262 -7.255 1.00 0.00 O ATOM 201 CB PHE A 15 -8.037 16.737 -6.628 1.00 0.00 C ATOM 202 CG PHE A 15 -8.348 15.443 -5.929 1.00 0.00 C ATOM 203 CD1 PHE A 15 -7.522 14.966 -4.923 1.00 0.00 C ATOM 204 CD2 PHE A 15 -9.470 14.706 -6.272 1.00 0.00 C ATOM 205 CE1 PHE A 15 -7.811 13.781 -4.273 1.00 0.00 C ATOM 206 CE2 PHE A 15 -9.764 13.520 -5.626 1.00 0.00 C ATOM 207 CZ PHE A 15 -8.933 13.058 -4.624 1.00 0.00 C ATOM 0 H PHE A 15 -10.369 17.578 -6.029 1.00 0.00 H new ATOM 0 HA PHE A 15 -7.714 17.944 -4.867 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.624 16.796 -7.545 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.987 16.739 -6.921 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -6.642 15.527 -4.644 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -10.123 15.063 -7.054 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.159 13.421 -3.491 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -10.642 12.956 -5.904 1.00 0.00 H new ATOM 0 HZ PHE A 15 -9.161 12.133 -4.116 1.00 0.00 H new ATOM 217 N ASP A 16 -8.713 20.328 -6.382 1.00 0.00 N ATOM 218 CA ASP A 16 -8.428 21.596 -7.051 1.00 0.00 C ATOM 219 C ASP A 16 -7.817 22.588 -6.063 1.00 0.00 C ATOM 220 O ASP A 16 -8.538 23.312 -5.371 1.00 0.00 O ATOM 221 CB ASP A 16 -9.705 22.182 -7.665 1.00 0.00 C ATOM 222 CG ASP A 16 -10.041 21.571 -9.011 1.00 0.00 C ATOM 223 OD1 ASP A 16 -10.473 20.398 -9.042 1.00 0.00 O ATOM 224 OD2 ASP A 16 -9.875 22.265 -10.033 1.00 0.00 O ATOM 0 H ASP A 16 -9.547 20.341 -5.795 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.713 21.409 -7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.538 22.023 -6.980 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.587 23.260 -7.779 1.00 0.00 H new ATOM 229 N ARG A 17 -6.483 22.612 -5.997 1.00 0.00 N ATOM 230 CA ARG A 17 -5.768 23.514 -5.087 1.00 0.00 C ATOM 231 C ARG A 17 -6.059 24.980 -5.414 1.00 0.00 C ATOM 232 O ARG A 17 -6.165 25.814 -4.512 1.00 0.00 O ATOM 233 CB ARG A 17 -4.257 23.256 -5.148 1.00 0.00 C ATOM 234 CG ARG A 17 -3.856 21.857 -4.700 1.00 0.00 C ATOM 235 CD ARG A 17 -3.561 21.804 -3.208 1.00 0.00 C ATOM 236 NE ARG A 17 -4.236 20.684 -2.551 1.00 0.00 N ATOM 237 CZ ARG A 17 -3.828 19.410 -2.619 1.00 0.00 C ATOM 238 NH1 ARG A 17 -2.745 19.079 -3.323 1.00 0.00 N ATOM 239 NH2 ARG A 17 -4.509 18.463 -1.981 1.00 0.00 N ATOM 0 H ARG A 17 -5.876 22.018 -6.562 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.124 23.311 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.911 23.414 -6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.747 23.988 -4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.656 21.156 -4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.975 21.536 -5.256 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.485 21.718 -3.055 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.876 22.739 -2.744 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.073 20.887 -2.005 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.218 19.799 -3.817 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.444 18.106 -3.368 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.340 18.708 -1.442 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.201 17.492 -2.031 1.00 0.00 H new ATOM 253 N HIS A 18 -6.195 25.286 -6.707 1.00 0.00 N ATOM 254 CA HIS A 18 -6.482 26.649 -7.151 1.00 0.00 C ATOM 255 C HIS A 18 -7.988 26.921 -7.158 1.00 0.00 C ATOM 256 O HIS A 18 -8.424 28.028 -6.835 1.00 0.00 O ATOM 257 CB HIS A 18 -5.904 26.888 -8.547 1.00 0.00 C ATOM 258 CG HIS A 18 -4.460 27.288 -8.543 1.00 0.00 C ATOM 259 ND1 HIS A 18 -3.576 26.782 -9.466 1.00 0.00 N ATOM 260 CD2 HIS A 18 -3.800 28.142 -7.722 1.00 0.00 C ATOM 261 CE1 HIS A 18 -2.409 27.333 -9.189 1.00 0.00 C ATOM 262 NE2 HIS A 18 -2.495 28.165 -8.140 1.00 0.00 N ATOM 0 H HIS A 18 -6.111 24.607 -7.463 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.012 27.336 -6.447 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.018 25.979 -9.138 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.485 27.665 -9.043 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.222 28.697 -6.897 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.499 27.139 -9.738 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.735 28.710 -7.732 1.00 0.00 H new ATOM 270 N GLY A 19 -8.775 25.907 -7.533 1.00 0.00 N ATOM 271 CA GLY A 19 -10.221 26.057 -7.580 1.00 0.00 C ATOM 272 C GLY A 19 -10.700 26.649 -8.894 1.00 0.00 C ATOM 273 O GLY A 19 -11.535 27.554 -8.902 1.00 0.00 O ATOM 0 H GLY A 19 -8.433 24.985 -7.805 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.689 25.084 -7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.544 26.696 -6.758 1.00 0.00 H new ATOM 277 N THR A 20 -10.162 26.139 -10.004 1.00 0.00 N ATOM 278 CA THR A 20 -10.527 26.621 -11.338 1.00 0.00 C ATOM 279 C THR A 20 -11.358 25.588 -12.107 1.00 0.00 C ATOM 280 O THR A 20 -12.190 25.954 -12.940 1.00 0.00 O ATOM 281 CB THR A 20 -9.267 26.977 -12.136 1.00 0.00 C ATOM 282 OG1 THR A 20 -8.377 25.874 -12.193 1.00 0.00 O ATOM 283 CG2 THR A 20 -8.505 28.156 -11.564 1.00 0.00 C ATOM 0 H THR A 20 -9.470 25.390 -10.005 1.00 0.00 H new ATOM 0 HA THR A 20 -11.139 27.514 -11.209 1.00 0.00 H new ATOM 0 HB THR A 20 -9.624 27.246 -13.130 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.581 26.122 -12.708 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.626 28.353 -12.177 1.00 0.00 H new ATOM 0 HG22 THR A 20 -9.148 29.036 -11.558 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.193 27.928 -10.545 1.00 0.00 H new ATOM 291 N GLY A 21 -11.126 24.301 -11.827 1.00 0.00 N ATOM 292 CA GLY A 21 -11.857 23.237 -12.503 1.00 0.00 C ATOM 293 C GLY A 21 -10.948 22.242 -13.220 1.00 0.00 C ATOM 294 O GLY A 21 -11.438 21.350 -13.915 1.00 0.00 O ATOM 0 H GLY A 21 -10.443 23.978 -11.142 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.465 22.703 -11.773 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -12.542 23.679 -13.226 1.00 0.00 H new ATOM 298 N ARG A 22 -9.628 22.391 -13.054 1.00 0.00 N ATOM 299 CA ARG A 22 -8.657 21.499 -13.687 1.00 0.00 C ATOM 300 C ARG A 22 -7.692 20.928 -12.648 1.00 0.00 C ATOM 301 O ARG A 22 -7.593 21.446 -11.532 1.00 0.00 O ATOM 302 CB ARG A 22 -7.870 22.245 -14.767 1.00 0.00 C ATOM 303 CG ARG A 22 -8.722 23.145 -15.652 1.00 0.00 C ATOM 304 CD ARG A 22 -8.761 24.570 -15.123 1.00 0.00 C ATOM 305 NE ARG A 22 -9.308 25.507 -16.104 1.00 0.00 N ATOM 306 CZ ARG A 22 -10.614 25.666 -16.348 1.00 0.00 C ATOM 307 NH1 ARG A 22 -11.521 24.945 -15.690 1.00 0.00 N ATOM 308 NH2 ARG A 22 -11.013 26.549 -17.257 1.00 0.00 N ATOM 0 H ARG A 22 -9.209 23.125 -12.483 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.204 20.677 -14.149 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.100 22.850 -14.287 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.357 21.517 -15.395 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.323 23.143 -16.666 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.736 22.748 -15.708 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.364 24.603 -14.216 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.753 24.882 -14.848 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.651 26.077 -16.637 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.222 24.264 -14.992 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.514 25.075 -15.884 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.325 27.103 -17.766 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.008 26.673 -17.446 1.00 0.00 H new ATOM 322 N ILE A 23 -6.983 19.861 -13.015 1.00 0.00 N ATOM 323 CA ILE A 23 -6.031 19.226 -12.103 1.00 0.00 C ATOM 324 C ILE A 23 -4.791 18.711 -12.839 1.00 0.00 C ATOM 325 O ILE A 23 -4.901 18.102 -13.906 1.00 0.00 O ATOM 326 CB ILE A 23 -6.678 18.049 -11.337 1.00 0.00 C ATOM 327 CG1 ILE A 23 -7.423 17.122 -12.302 1.00 0.00 C ATOM 328 CG2 ILE A 23 -7.619 18.567 -10.257 1.00 0.00 C ATOM 329 CD1 ILE A 23 -7.440 15.675 -11.869 1.00 0.00 C ATOM 0 H ILE A 23 -7.049 19.420 -13.932 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.729 19.998 -11.395 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.886 17.476 -10.856 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.450 17.472 -12.407 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.961 17.191 -13.287 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.065 17.725 -9.728 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.060 19.183 -9.552 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.406 19.165 -10.716 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.986 15.082 -12.603 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.417 15.306 -11.792 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.930 15.591 -10.899 1.00 0.00 H new ATOM 341 N PRO A 24 -3.591 18.950 -12.270 1.00 0.00 N ATOM 342 CA PRO A 24 -2.324 18.509 -12.854 1.00 0.00 C ATOM 343 C PRO A 24 -1.941 17.093 -12.410 1.00 0.00 C ATOM 344 O PRO A 24 -2.592 16.519 -11.536 1.00 0.00 O ATOM 345 CB PRO A 24 -1.338 19.533 -12.299 1.00 0.00 C ATOM 346 CG PRO A 24 -1.878 19.891 -10.952 1.00 0.00 C ATOM 347 CD PRO A 24 -3.373 19.674 -11.002 1.00 0.00 C ATOM 0 HA PRO A 24 -2.355 18.459 -13.942 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.334 19.115 -12.225 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.272 20.409 -12.944 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.424 19.272 -10.178 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.647 20.928 -10.707 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.720 19.094 -10.147 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.914 20.620 -10.986 1.00 0.00 H new ATOM 355 N LYS A 25 -0.885 16.540 -13.022 1.00 0.00 N ATOM 356 CA LYS A 25 -0.402 15.185 -12.705 1.00 0.00 C ATOM 357 C LYS A 25 -0.360 14.920 -11.194 1.00 0.00 C ATOM 358 O LYS A 25 -0.677 13.817 -10.748 1.00 0.00 O ATOM 359 CB LYS A 25 0.993 14.952 -13.309 1.00 0.00 C ATOM 360 CG LYS A 25 2.008 16.034 -12.961 1.00 0.00 C ATOM 361 CD LYS A 25 3.071 16.166 -14.040 1.00 0.00 C ATOM 362 CE LYS A 25 4.198 17.093 -13.608 1.00 0.00 C ATOM 363 NZ LYS A 25 3.771 18.521 -13.585 1.00 0.00 N ATOM 0 H LYS A 25 -0.344 17.013 -13.746 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.113 14.487 -13.147 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.371 13.989 -12.964 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.902 14.889 -14.393 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.496 16.988 -12.834 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.482 15.797 -12.008 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.478 15.182 -14.273 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.616 16.547 -14.954 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.546 16.803 -12.616 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.042 16.978 -14.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.569 19.117 -13.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.463 18.807 -14.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.982 18.637 -12.917 1.00 0.00 H new ATOM 377 N THR A 26 0.031 15.932 -10.414 1.00 0.00 N ATOM 378 CA THR A 26 0.111 15.795 -8.957 1.00 0.00 C ATOM 379 C THR A 26 -1.257 15.450 -8.356 1.00 0.00 C ATOM 380 O THR A 26 -1.360 14.569 -7.500 1.00 0.00 O ATOM 381 CB THR A 26 0.655 17.083 -8.322 1.00 0.00 C ATOM 382 OG1 THR A 26 -0.181 18.189 -8.617 1.00 0.00 O ATOM 383 CG2 THR A 26 2.055 17.433 -8.782 1.00 0.00 C ATOM 0 H THR A 26 0.296 16.852 -10.766 1.00 0.00 H new ATOM 0 HA THR A 26 0.797 14.976 -8.739 1.00 0.00 H new ATOM 0 HB THR A 26 0.678 16.883 -7.251 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.186 18.997 -8.200 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.378 18.353 -8.295 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.737 16.624 -8.519 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.058 17.574 -9.863 1.00 0.00 H new ATOM 391 N SER A 27 -2.302 16.149 -8.810 1.00 0.00 N ATOM 392 CA SER A 27 -3.662 15.922 -8.320 1.00 0.00 C ATOM 393 C SER A 27 -4.231 14.587 -8.809 1.00 0.00 C ATOM 394 O SER A 27 -4.791 13.830 -8.016 1.00 0.00 O ATOM 395 CB SER A 27 -4.581 17.067 -8.747 1.00 0.00 C ATOM 396 OG SER A 27 -4.354 18.221 -7.957 1.00 0.00 O ATOM 0 H SER A 27 -2.230 16.879 -9.519 1.00 0.00 H new ATOM 0 HA SER A 27 -3.612 15.884 -7.232 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.411 17.302 -9.798 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.622 16.757 -8.654 1.00 0.00 H new ATOM 0 HG SER A 27 -5.213 18.603 -7.681 1.00 0.00 H new ATOM 402 N ILE A 28 -4.094 14.303 -10.112 1.00 0.00 N ATOM 403 CA ILE A 28 -4.614 13.043 -10.676 1.00 0.00 C ATOM 404 C ILE A 28 -4.061 11.824 -9.937 1.00 0.00 C ATOM 405 O ILE A 28 -4.771 10.834 -9.763 1.00 0.00 O ATOM 406 CB ILE A 28 -4.353 12.848 -12.201 1.00 0.00 C ATOM 407 CG1 ILE A 28 -3.624 14.038 -12.845 1.00 0.00 C ATOM 408 CG2 ILE A 28 -5.665 12.567 -12.923 1.00 0.00 C ATOM 409 CD1 ILE A 28 -4.525 15.211 -13.175 1.00 0.00 C ATOM 0 H ILE A 28 -3.636 14.915 -10.788 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.692 13.126 -10.539 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.688 11.990 -12.303 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.837 14.376 -12.171 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.136 13.700 -13.759 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.473 12.432 -13.987 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.116 11.661 -12.518 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.346 13.406 -12.781 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.934 16.008 -13.626 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.297 14.891 -13.875 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.993 15.578 -12.262 1.00 0.00 H new ATOM 421 N GLY A 29 -2.797 11.898 -9.498 1.00 0.00 N ATOM 422 CA GLY A 29 -2.187 10.787 -8.777 1.00 0.00 C ATOM 423 C GLY A 29 -3.025 10.333 -7.594 1.00 0.00 C ATOM 424 O GLY A 29 -3.582 9.234 -7.610 1.00 0.00 O ATOM 0 H GLY A 29 -2.189 12.706 -9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.044 9.949 -9.460 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.199 11.084 -8.426 1.00 0.00 H new ATOM 428 N ASP A 30 -3.123 11.185 -6.571 1.00 0.00 N ATOM 429 CA ASP A 30 -3.912 10.872 -5.375 1.00 0.00 C ATOM 430 C ASP A 30 -5.405 10.756 -5.703 1.00 0.00 C ATOM 431 O ASP A 30 -6.133 10.020 -5.032 1.00 0.00 O ATOM 432 CB ASP A 30 -3.695 11.918 -4.275 1.00 0.00 C ATOM 433 CG ASP A 30 -3.592 13.341 -4.803 1.00 0.00 C ATOM 434 OD1 ASP A 30 -4.633 13.908 -5.192 1.00 0.00 O ATOM 435 OD2 ASP A 30 -2.469 13.887 -4.823 1.00 0.00 O ATOM 0 H ASP A 30 -2.666 12.097 -6.546 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.565 9.906 -5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.519 11.862 -3.563 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.784 11.675 -3.728 1.00 0.00 H new ATOM 440 N LEU A 31 -5.856 11.469 -6.743 1.00 0.00 N ATOM 441 CA LEU A 31 -7.260 11.420 -7.159 1.00 0.00 C ATOM 442 C LEU A 31 -7.629 9.999 -7.587 1.00 0.00 C ATOM 443 O LEU A 31 -8.658 9.464 -7.168 1.00 0.00 O ATOM 444 CB LEU A 31 -7.524 12.420 -8.297 1.00 0.00 C ATOM 445 CG LEU A 31 -8.690 12.077 -9.237 1.00 0.00 C ATOM 446 CD1 LEU A 31 -10.009 12.025 -8.475 1.00 0.00 C ATOM 447 CD2 LEU A 31 -8.768 13.087 -10.373 1.00 0.00 C ATOM 0 H LEU A 31 -5.270 12.084 -7.308 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.887 11.702 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.714 13.399 -7.857 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.616 12.509 -8.894 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.507 11.089 -9.660 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.818 11.780 -9.164 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.951 11.262 -7.698 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.203 12.995 -8.017 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.599 12.831 -11.031 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.924 14.085 -9.963 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.837 13.069 -10.940 1.00 0.00 H new ATOM 459 N LEU A 32 -6.765 9.387 -8.403 1.00 0.00 N ATOM 460 CA LEU A 32 -6.977 8.018 -8.870 1.00 0.00 C ATOM 461 C LEU A 32 -7.004 7.041 -7.692 1.00 0.00 C ATOM 462 O LEU A 32 -7.702 6.030 -7.738 1.00 0.00 O ATOM 463 CB LEU A 32 -5.879 7.611 -9.861 1.00 0.00 C ATOM 464 CG LEU A 32 -5.912 8.346 -11.206 1.00 0.00 C ATOM 465 CD1 LEU A 32 -4.551 8.279 -11.887 1.00 0.00 C ATOM 466 CD2 LEU A 32 -6.990 7.762 -12.108 1.00 0.00 C ATOM 0 H LEU A 32 -5.911 9.821 -8.753 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.941 7.980 -9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.909 7.782 -9.395 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.958 6.540 -10.048 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.151 9.393 -11.019 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.595 8.806 -12.840 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.801 8.746 -11.248 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.282 7.237 -12.061 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.998 8.296 -13.058 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.782 6.707 -12.287 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.962 7.864 -11.626 1.00 0.00 H new ATOM 478 N ARG A 33 -6.238 7.355 -6.638 1.00 0.00 N ATOM 479 CA ARG A 33 -6.171 6.515 -5.443 1.00 0.00 C ATOM 480 C ARG A 33 -7.560 6.340 -4.820 1.00 0.00 C ATOM 481 O ARG A 33 -7.926 5.241 -4.401 1.00 0.00 O ATOM 482 CB ARG A 33 -5.180 7.129 -4.436 1.00 0.00 C ATOM 483 CG ARG A 33 -5.772 7.469 -3.070 1.00 0.00 C ATOM 484 CD ARG A 33 -4.688 7.652 -2.015 1.00 0.00 C ATOM 485 NE ARG A 33 -3.616 8.546 -2.464 1.00 0.00 N ATOM 486 CZ ARG A 33 -2.393 8.583 -1.925 1.00 0.00 C ATOM 487 NH1 ARG A 33 -2.083 7.803 -0.889 1.00 0.00 N ATOM 488 NH2 ARG A 33 -1.478 9.411 -2.419 1.00 0.00 N ATOM 0 H ARG A 33 -5.654 8.190 -6.593 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.814 5.524 -5.723 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.353 6.433 -4.293 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.761 8.037 -4.870 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.363 8.382 -3.147 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.451 6.675 -2.760 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.134 8.053 -1.105 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.264 6.680 -1.761 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.816 9.180 -3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.782 7.170 -0.500 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.147 7.839 -0.485 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.710 10.016 -3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.544 9.442 -2.010 1.00 0.00 H new ATOM 502 N ALA A 34 -8.328 7.434 -4.773 1.00 0.00 N ATOM 503 CA ALA A 34 -9.679 7.408 -4.213 1.00 0.00 C ATOM 504 C ALA A 34 -10.626 6.566 -5.072 1.00 0.00 C ATOM 505 O ALA A 34 -11.580 5.981 -4.559 1.00 0.00 O ATOM 506 CB ALA A 34 -10.217 8.825 -4.068 1.00 0.00 C ATOM 0 H ALA A 34 -8.034 8.348 -5.117 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.623 6.945 -3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.223 8.791 -3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.567 9.395 -3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.246 9.305 -5.046 1.00 0.00 H new ATOM 512 N CYS A 35 -10.351 6.504 -6.380 1.00 0.00 N ATOM 513 CA CYS A 35 -11.172 5.732 -7.308 1.00 0.00 C ATOM 514 C CYS A 35 -10.345 4.620 -7.963 1.00 0.00 C ATOM 515 O CYS A 35 -10.450 4.381 -9.170 1.00 0.00 O ATOM 516 CB CYS A 35 -11.771 6.656 -8.375 1.00 0.00 C ATOM 517 SG CYS A 35 -13.193 5.955 -9.246 1.00 0.00 S ATOM 0 H CYS A 35 -9.563 6.982 -6.817 1.00 0.00 H new ATOM 0 HA CYS A 35 -11.985 5.268 -6.750 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -12.073 7.591 -7.903 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -10.998 6.902 -9.103 1.00 0.00 H new ATOM 0 HG CYS A 35 -14.148 6.836 -9.297 1.00 0.00 H new ATOM 523 N GLY A 36 -9.521 3.944 -7.157 1.00 0.00 N ATOM 524 CA GLY A 36 -8.687 2.872 -7.672 1.00 0.00 C ATOM 525 C GLY A 36 -7.364 2.745 -6.936 1.00 0.00 C ATOM 526 O GLY A 36 -7.328 2.291 -5.791 1.00 0.00 O ATOM 0 H GLY A 36 -9.419 4.122 -6.158 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.230 1.929 -7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.493 3.046 -8.730 1.00 0.00 H new ATOM 530 N GLN A 37 -6.275 3.142 -7.600 1.00 0.00 N ATOM 531 CA GLN A 37 -4.937 3.064 -7.007 1.00 0.00 C ATOM 532 C GLN A 37 -4.160 4.367 -7.185 1.00 0.00 C ATOM 533 O GLN A 37 -4.653 5.323 -7.784 1.00 0.00 O ATOM 534 CB GLN A 37 -4.146 1.908 -7.628 1.00 0.00 C ATOM 535 CG GLN A 37 -3.755 0.830 -6.626 1.00 0.00 C ATOM 536 CD GLN A 37 -4.824 -0.236 -6.452 1.00 0.00 C ATOM 537 OE1 GLN A 37 -5.910 -0.150 -7.029 1.00 0.00 O ATOM 538 NE2 GLN A 37 -4.524 -1.254 -5.651 1.00 0.00 N ATOM 0 H GLN A 37 -6.293 3.520 -8.547 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.066 2.889 -5.939 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.741 1.456 -8.421 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.244 2.305 -8.093 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.829 0.358 -6.952 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.553 1.295 -5.661 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.614 -1.290 -5.191 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.203 -1.999 -5.497 1.00 0.00 H new ATOM 547 N ASN A 38 -2.931 4.387 -6.665 1.00 0.00 N ATOM 548 CA ASN A 38 -2.073 5.561 -6.763 1.00 0.00 C ATOM 549 C ASN A 38 -0.797 5.237 -7.541 1.00 0.00 C ATOM 550 O ASN A 38 0.097 4.554 -7.034 1.00 0.00 O ATOM 551 CB ASN A 38 -1.724 6.077 -5.362 1.00 0.00 C ATOM 552 CG ASN A 38 -0.859 7.324 -5.396 1.00 0.00 C ATOM 553 OD1 ASN A 38 0.360 7.252 -5.242 1.00 0.00 O ATOM 554 ND2 ASN A 38 -1.486 8.476 -5.599 1.00 0.00 N ATOM 0 H ASN A 38 -2.510 3.600 -6.171 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.614 6.339 -7.302 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.644 6.293 -4.819 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.204 5.294 -4.810 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.955 9.347 -5.632 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.498 8.491 -5.722 1.00 0.00 H new ATOM 561 N PRO A 39 -0.700 5.725 -8.794 1.00 0.00 N ATOM 562 CA PRO A 39 0.463 5.493 -9.654 1.00 0.00 C ATOM 563 C PRO A 39 1.611 6.466 -9.366 1.00 0.00 C ATOM 564 O PRO A 39 1.632 7.123 -8.322 1.00 0.00 O ATOM 565 CB PRO A 39 -0.114 5.726 -11.051 1.00 0.00 C ATOM 566 CG PRO A 39 -1.137 6.786 -10.846 1.00 0.00 C ATOM 567 CD PRO A 39 -1.725 6.544 -9.478 1.00 0.00 C ATOM 0 HA PRO A 39 0.903 4.506 -9.510 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.656 6.045 -11.753 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.557 4.817 -11.456 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.688 7.777 -10.907 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.908 6.737 -11.615 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.908 7.480 -8.950 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.679 6.021 -9.539 1.00 0.00 H new ATOM 575 N THR A 40 2.559 6.556 -10.300 1.00 0.00 N ATOM 576 CA THR A 40 3.709 7.450 -10.155 1.00 0.00 C ATOM 577 C THR A 40 3.558 8.679 -11.047 1.00 0.00 C ATOM 578 O THR A 40 2.737 8.691 -11.966 1.00 0.00 O ATOM 579 CB THR A 40 5.015 6.719 -10.499 1.00 0.00 C ATOM 580 OG1 THR A 40 4.842 5.855 -11.611 1.00 0.00 O ATOM 581 CG2 THR A 40 5.560 5.892 -9.352 1.00 0.00 C ATOM 0 H THR A 40 2.553 6.019 -11.167 1.00 0.00 H new ATOM 0 HA THR A 40 3.748 7.773 -9.115 1.00 0.00 H new ATOM 0 HB THR A 40 5.729 7.510 -10.729 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.689 5.404 -11.809 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.483 5.403 -9.663 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.762 6.541 -8.500 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.827 5.137 -9.067 1.00 0.00 H new ATOM 589 N LEU A 41 4.363 9.712 -10.772 1.00 0.00 N ATOM 590 CA LEU A 41 4.331 10.951 -11.551 1.00 0.00 C ATOM 591 C LEU A 41 4.488 10.663 -13.046 1.00 0.00 C ATOM 592 O LEU A 41 3.841 11.304 -13.874 1.00 0.00 O ATOM 593 CB LEU A 41 5.432 11.906 -11.080 1.00 0.00 C ATOM 594 CG LEU A 41 5.096 12.742 -9.837 1.00 0.00 C ATOM 595 CD1 LEU A 41 4.239 13.942 -10.212 1.00 0.00 C ATOM 596 CD2 LEU A 41 4.397 11.898 -8.777 1.00 0.00 C ATOM 0 H LEU A 41 5.045 9.712 -10.014 1.00 0.00 H new ATOM 0 HA LEU A 41 3.362 11.424 -11.393 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.330 11.323 -10.873 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.674 12.585 -11.898 1.00 0.00 H new ATOM 0 HG LEU A 41 6.034 13.104 -9.415 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.012 14.521 -9.317 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.780 14.568 -10.922 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.310 13.598 -10.667 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.172 12.518 -7.909 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.470 11.495 -9.186 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.049 11.077 -8.478 1.00 0.00 H new ATOM 608 N ALA A 42 5.334 9.683 -13.382 1.00 0.00 N ATOM 609 CA ALA A 42 5.550 9.299 -14.776 1.00 0.00 C ATOM 610 C ALA A 42 4.236 8.861 -15.426 1.00 0.00 C ATOM 611 O ALA A 42 3.983 9.160 -16.594 1.00 0.00 O ATOM 612 CB ALA A 42 6.586 8.185 -14.866 1.00 0.00 C ATOM 0 H ALA A 42 5.878 9.144 -12.708 1.00 0.00 H new ATOM 0 HA ALA A 42 5.926 10.168 -15.317 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.735 7.911 -15.910 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.529 8.530 -14.443 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.235 7.316 -14.309 1.00 0.00 H new ATOM 618 N GLU A 43 3.401 8.156 -14.654 1.00 0.00 N ATOM 619 CA GLU A 43 2.107 7.682 -15.138 1.00 0.00 C ATOM 620 C GLU A 43 1.163 8.851 -15.428 1.00 0.00 C ATOM 621 O GLU A 43 0.643 8.969 -16.539 1.00 0.00 O ATOM 622 CB GLU A 43 1.475 6.733 -14.114 1.00 0.00 C ATOM 623 CG GLU A 43 0.588 5.666 -14.736 1.00 0.00 C ATOM 624 CD GLU A 43 -0.804 6.175 -15.061 1.00 0.00 C ATOM 625 OE1 GLU A 43 -1.644 6.241 -14.139 1.00 0.00 O ATOM 626 OE2 GLU A 43 -1.054 6.509 -16.239 1.00 0.00 O ATOM 0 H GLU A 43 3.603 7.902 -13.687 1.00 0.00 H new ATOM 0 HA GLU A 43 2.272 7.142 -16.070 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.267 6.247 -13.544 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.885 7.316 -13.407 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.057 5.296 -15.648 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.510 4.821 -14.052 1.00 0.00 H new ATOM 633 N ILE A 44 0.944 9.716 -14.427 1.00 0.00 N ATOM 634 CA ILE A 44 0.056 10.876 -14.595 1.00 0.00 C ATOM 635 C ILE A 44 0.519 11.761 -15.754 1.00 0.00 C ATOM 636 O ILE A 44 -0.289 12.152 -16.599 1.00 0.00 O ATOM 637 CB ILE A 44 -0.096 11.750 -13.318 1.00 0.00 C ATOM 638 CG1 ILE A 44 1.054 11.542 -12.314 1.00 0.00 C ATOM 639 CG2 ILE A 44 -1.444 11.477 -12.668 1.00 0.00 C ATOM 640 CD1 ILE A 44 0.722 10.608 -11.166 1.00 0.00 C ATOM 0 H ILE A 44 1.365 9.636 -13.501 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.924 10.450 -14.811 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.046 12.795 -13.625 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.919 11.149 -12.848 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.344 12.510 -11.906 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.548 12.091 -11.773 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.242 11.720 -13.369 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.510 10.424 -12.395 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.586 10.519 -10.508 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.122 11.008 -10.604 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.463 9.625 -11.560 1.00 0.00 H new ATOM 652 N THR A 45 1.822 12.061 -15.799 1.00 0.00 N ATOM 653 CA THR A 45 2.389 12.883 -16.874 1.00 0.00 C ATOM 654 C THR A 45 2.057 12.275 -18.242 1.00 0.00 C ATOM 655 O THR A 45 1.662 12.990 -19.167 1.00 0.00 O ATOM 656 CB THR A 45 3.910 13.009 -16.718 1.00 0.00 C ATOM 657 OG1 THR A 45 4.248 13.528 -15.443 1.00 0.00 O ATOM 658 CG2 THR A 45 4.547 13.907 -17.758 1.00 0.00 C ATOM 0 H THR A 45 2.502 11.748 -15.106 1.00 0.00 H new ATOM 0 HA THR A 45 1.947 13.877 -16.808 1.00 0.00 H new ATOM 0 HB THR A 45 4.294 11.997 -16.846 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.237 12.805 -14.782 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.623 13.952 -17.590 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.352 13.507 -18.753 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.125 14.909 -17.681 1.00 0.00 H new ATOM 666 N GLU A 46 2.203 10.948 -18.353 1.00 0.00 N ATOM 667 CA GLU A 46 1.905 10.233 -19.597 1.00 0.00 C ATOM 668 C GLU A 46 0.451 10.457 -20.016 1.00 0.00 C ATOM 669 O GLU A 46 0.158 10.607 -21.204 1.00 0.00 O ATOM 670 CB GLU A 46 2.181 8.734 -19.437 1.00 0.00 C ATOM 671 CG GLU A 46 3.577 8.319 -19.876 1.00 0.00 C ATOM 672 CD GLU A 46 3.574 7.513 -21.162 1.00 0.00 C ATOM 673 OE1 GLU A 46 3.587 8.128 -22.249 1.00 0.00 O ATOM 674 OE2 GLU A 46 3.558 6.266 -21.082 1.00 0.00 O ATOM 0 H GLU A 46 2.526 10.349 -17.594 1.00 0.00 H new ATOM 0 HA GLU A 46 2.556 10.628 -20.377 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.041 8.457 -18.392 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.446 8.174 -20.016 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.190 9.210 -20.013 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.042 7.731 -19.085 1.00 0.00 H new ATOM 681 N ILE A 47 -0.455 10.502 -19.031 1.00 0.00 N ATOM 682 CA ILE A 47 -1.875 10.734 -19.297 1.00 0.00 C ATOM 683 C ILE A 47 -2.066 12.098 -19.962 1.00 0.00 C ATOM 684 O ILE A 47 -2.692 12.199 -21.016 1.00 0.00 O ATOM 685 CB ILE A 47 -2.718 10.664 -18.001 1.00 0.00 C ATOM 686 CG1 ILE A 47 -2.581 9.285 -17.345 1.00 0.00 C ATOM 687 CG2 ILE A 47 -4.181 10.971 -18.291 1.00 0.00 C ATOM 688 CD1 ILE A 47 -3.023 9.253 -15.897 1.00 0.00 C ATOM 0 H ILE A 47 -0.227 10.381 -18.044 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.220 9.946 -19.966 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.341 11.417 -17.309 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.169 8.563 -17.911 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.541 8.966 -17.405 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.755 10.916 -17.366 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.266 11.973 -18.712 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.571 10.244 -19.003 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.897 8.246 -15.500 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.418 9.950 -15.316 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.072 9.541 -15.830 1.00 0.00 H new ATOM 700 N GLU A 48 -1.500 13.142 -19.344 1.00 0.00 N ATOM 701 CA GLU A 48 -1.580 14.500 -19.878 1.00 0.00 C ATOM 702 C GLU A 48 -1.021 14.584 -21.303 1.00 0.00 C ATOM 703 O GLU A 48 -1.430 15.442 -22.083 1.00 0.00 O ATOM 704 CB GLU A 48 -0.831 15.470 -18.968 1.00 0.00 C ATOM 705 CG GLU A 48 -1.687 15.976 -17.823 1.00 0.00 C ATOM 706 CD GLU A 48 -1.060 17.134 -17.065 1.00 0.00 C ATOM 707 OE1 GLU A 48 -0.491 18.038 -17.714 1.00 0.00 O ATOM 708 OE2 GLU A 48 -1.145 17.140 -15.821 1.00 0.00 O ATOM 0 H GLU A 48 -0.980 13.067 -18.470 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.634 14.777 -19.915 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.053 14.975 -18.565 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.481 16.318 -19.557 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.655 16.289 -18.214 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.874 15.156 -17.129 1.00 0.00 H new ATOM 715 N SER A 49 -0.083 13.687 -21.636 1.00 0.00 N ATOM 716 CA SER A 49 0.530 13.661 -22.967 1.00 0.00 C ATOM 717 C SER A 49 -0.488 13.340 -24.075 1.00 0.00 C ATOM 718 O SER A 49 -0.192 13.526 -25.257 1.00 0.00 O ATOM 719 CB SER A 49 1.675 12.643 -23.003 1.00 0.00 C ATOM 720 OG SER A 49 2.643 12.995 -23.976 1.00 0.00 O ATOM 0 H SER A 49 0.267 12.970 -21.000 1.00 0.00 H new ATOM 0 HA SER A 49 0.919 14.661 -23.159 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.146 12.586 -22.022 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.278 11.652 -23.223 1.00 0.00 H new ATOM 0 HG SER A 49 3.363 12.330 -23.977 1.00 0.00 H new ATOM 726 N THR A 50 -1.680 12.856 -23.700 1.00 0.00 N ATOM 727 CA THR A 50 -2.717 12.515 -24.678 1.00 0.00 C ATOM 728 C THR A 50 -3.999 13.344 -24.483 1.00 0.00 C ATOM 729 O THR A 50 -4.999 13.107 -25.165 1.00 0.00 O ATOM 730 CB THR A 50 -3.044 11.020 -24.595 1.00 0.00 C ATOM 731 OG1 THR A 50 -3.371 10.646 -23.268 1.00 0.00 O ATOM 732 CG2 THR A 50 -1.909 10.127 -25.056 1.00 0.00 C ATOM 0 H THR A 50 -1.948 12.693 -22.729 1.00 0.00 H new ATOM 0 HA THR A 50 -2.322 12.753 -25.666 1.00 0.00 H new ATOM 0 HB THR A 50 -3.892 10.878 -25.265 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.185 11.394 -22.662 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.210 9.083 -24.970 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.669 10.351 -26.095 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.031 10.304 -24.434 1.00 0.00 H new ATOM 740 N LEU A 51 -3.969 14.321 -23.564 1.00 0.00 N ATOM 741 CA LEU A 51 -5.131 15.181 -23.302 1.00 0.00 C ATOM 742 C LEU A 51 -4.687 16.630 -23.077 1.00 0.00 C ATOM 743 O LEU A 51 -3.534 16.882 -22.726 1.00 0.00 O ATOM 744 CB LEU A 51 -5.923 14.689 -22.075 1.00 0.00 C ATOM 745 CG LEU A 51 -5.720 13.217 -21.698 1.00 0.00 C ATOM 746 CD1 LEU A 51 -5.865 13.036 -20.197 1.00 0.00 C ATOM 747 CD2 LEU A 51 -6.702 12.325 -22.446 1.00 0.00 C ATOM 0 H LEU A 51 -3.153 14.534 -22.991 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.779 15.134 -24.177 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.650 15.305 -21.218 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.984 14.854 -22.261 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.712 12.922 -21.988 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.719 11.987 -19.941 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.118 13.642 -19.684 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.862 13.349 -19.887 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.538 11.285 -22.162 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.722 12.614 -22.193 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.549 12.436 -23.520 1.00 0.00 H new ATOM 759 N PRO A 52 -5.602 17.605 -23.281 1.00 0.00 N ATOM 760 CA PRO A 52 -5.307 19.036 -23.101 1.00 0.00 C ATOM 761 C PRO A 52 -4.469 19.326 -21.852 1.00 0.00 C ATOM 762 O PRO A 52 -4.595 18.637 -20.836 1.00 0.00 O ATOM 763 CB PRO A 52 -6.697 19.654 -22.969 1.00 0.00 C ATOM 764 CG PRO A 52 -7.573 18.781 -23.801 1.00 0.00 C ATOM 765 CD PRO A 52 -6.999 17.389 -23.712 1.00 0.00 C ATOM 0 HA PRO A 52 -4.713 19.435 -23.923 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.026 19.672 -21.930 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.709 20.684 -23.326 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.600 18.801 -23.436 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.595 19.126 -24.835 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.547 16.776 -22.996 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.046 16.876 -24.673 1.00 0.00 H new ATOM 773 N ALA A 53 -3.607 20.350 -21.957 1.00 0.00 N ATOM 774 CA ALA A 53 -2.708 20.772 -20.870 1.00 0.00 C ATOM 775 C ALA A 53 -3.254 20.443 -19.477 1.00 0.00 C ATOM 776 O ALA A 53 -2.653 19.658 -18.743 1.00 0.00 O ATOM 777 CB ALA A 53 -2.419 22.264 -20.986 1.00 0.00 C ATOM 0 H ALA A 53 -3.513 20.912 -22.803 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.784 20.205 -20.983 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.753 22.570 -20.179 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.944 22.469 -21.945 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.353 22.822 -20.917 1.00 0.00 H new ATOM 783 N GLU A 54 -4.393 21.040 -19.120 1.00 0.00 N ATOM 784 CA GLU A 54 -5.009 20.796 -17.816 1.00 0.00 C ATOM 785 C GLU A 54 -6.071 19.703 -17.918 1.00 0.00 C ATOM 786 O GLU A 54 -6.925 19.742 -18.806 1.00 0.00 O ATOM 787 CB GLU A 54 -5.623 22.084 -17.263 1.00 0.00 C ATOM 788 CG GLU A 54 -5.001 22.529 -15.945 1.00 0.00 C ATOM 789 CD GLU A 54 -5.239 23.999 -15.627 1.00 0.00 C ATOM 790 OE1 GLU A 54 -5.359 24.810 -16.573 1.00 0.00 O ATOM 791 OE2 GLU A 54 -5.300 24.341 -14.427 1.00 0.00 O ATOM 0 H GLU A 54 -4.905 21.693 -19.713 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.232 20.459 -17.129 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.506 22.879 -17.999 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.693 21.936 -17.120 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.407 21.920 -15.137 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.928 22.342 -15.977 1.00 0.00 H new ATOM 798 N VAL A 55 -6.008 18.728 -17.012 1.00 0.00 N ATOM 799 CA VAL A 55 -6.962 17.622 -17.010 1.00 0.00 C ATOM 800 C VAL A 55 -8.202 17.972 -16.187 1.00 0.00 C ATOM 801 O VAL A 55 -8.280 17.669 -14.995 1.00 0.00 O ATOM 802 CB VAL A 55 -6.324 16.319 -16.471 1.00 0.00 C ATOM 803 CG1 VAL A 55 -7.319 15.166 -16.506 1.00 0.00 C ATOM 804 CG2 VAL A 55 -5.076 15.968 -17.269 1.00 0.00 C ATOM 0 H VAL A 55 -5.308 18.682 -16.272 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.259 17.453 -18.045 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.039 16.488 -15.433 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.844 14.263 -16.122 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.183 15.412 -15.889 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.643 14.996 -17.533 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.640 15.049 -16.877 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.342 15.825 -18.316 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.351 16.778 -17.186 1.00 0.00 H new ATOM 814 N ASP A 56 -9.175 18.608 -16.839 1.00 0.00 N ATOM 815 CA ASP A 56 -10.421 18.992 -16.173 1.00 0.00 C ATOM 816 C ASP A 56 -11.422 17.836 -16.204 1.00 0.00 C ATOM 817 O ASP A 56 -11.107 16.752 -16.698 1.00 0.00 O ATOM 818 CB ASP A 56 -11.035 20.247 -16.821 1.00 0.00 C ATOM 819 CG ASP A 56 -11.101 20.177 -18.337 1.00 0.00 C ATOM 820 OD1 ASP A 56 -11.636 19.179 -18.867 1.00 0.00 O ATOM 821 OD2 ASP A 56 -10.627 21.127 -18.992 1.00 0.00 O ATOM 0 H ASP A 56 -9.126 18.868 -17.824 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.187 19.227 -15.135 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.041 20.394 -16.428 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.449 21.119 -16.531 1.00 0.00 H new ATOM 826 N MET A 57 -12.624 18.075 -15.671 1.00 0.00 N ATOM 827 CA MET A 57 -13.683 17.059 -15.634 1.00 0.00 C ATOM 828 C MET A 57 -13.758 16.260 -16.941 1.00 0.00 C ATOM 829 O MET A 57 -13.838 15.033 -16.917 1.00 0.00 O ATOM 830 CB MET A 57 -15.038 17.712 -15.341 1.00 0.00 C ATOM 831 CG MET A 57 -15.330 17.869 -13.856 1.00 0.00 C ATOM 832 SD MET A 57 -15.995 19.494 -13.445 1.00 0.00 S ATOM 833 CE MET A 57 -16.045 19.397 -11.658 1.00 0.00 C ATOM 0 H MET A 57 -12.890 18.968 -15.257 1.00 0.00 H new ATOM 0 HA MET A 57 -13.436 16.362 -14.833 1.00 0.00 H new ATOM 0 HB2 MET A 57 -15.069 18.693 -15.815 1.00 0.00 H new ATOM 0 HB3 MET A 57 -15.827 17.113 -15.797 1.00 0.00 H new ATOM 0 HG2 MET A 57 -16.040 17.102 -13.546 1.00 0.00 H new ATOM 0 HG3 MET A 57 -14.413 17.702 -13.290 1.00 0.00 H new ATOM 0 HE1 MET A 57 -16.883 19.985 -11.285 1.00 0.00 H new ATOM 0 HE2 MET A 57 -16.167 18.358 -11.353 1.00 0.00 H new ATOM 0 HE3 MET A 57 -15.115 19.789 -11.246 1.00 0.00 H new ATOM 843 N GLU A 58 -13.737 16.965 -18.077 1.00 0.00 N ATOM 844 CA GLU A 58 -13.811 16.321 -19.390 1.00 0.00 C ATOM 845 C GLU A 58 -12.556 15.499 -19.700 1.00 0.00 C ATOM 846 O GLU A 58 -12.657 14.325 -20.055 1.00 0.00 O ATOM 847 CB GLU A 58 -14.025 17.368 -20.487 1.00 0.00 C ATOM 848 CG GLU A 58 -14.392 16.771 -21.838 1.00 0.00 C ATOM 849 CD GLU A 58 -13.284 16.919 -22.863 1.00 0.00 C ATOM 850 OE1 GLU A 58 -12.369 16.067 -22.878 1.00 0.00 O ATOM 851 OE2 GLU A 58 -13.328 17.889 -23.650 1.00 0.00 O ATOM 0 H GLU A 58 -13.669 17.982 -18.112 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.660 15.638 -19.364 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -14.814 18.052 -20.175 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.116 17.959 -20.596 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -14.626 15.714 -21.712 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -15.294 17.255 -22.212 1.00 0.00 H new ATOM 858 N GLN A 59 -11.381 16.126 -19.581 1.00 0.00 N ATOM 859 CA GLN A 59 -10.108 15.450 -19.866 1.00 0.00 C ATOM 860 C GLN A 59 -9.923 14.206 -18.997 1.00 0.00 C ATOM 861 O GLN A 59 -9.600 13.132 -19.508 1.00 0.00 O ATOM 862 CB GLN A 59 -8.932 16.409 -19.660 1.00 0.00 C ATOM 863 CG GLN A 59 -8.601 17.234 -20.891 1.00 0.00 C ATOM 864 CD GLN A 59 -9.421 18.507 -20.987 1.00 0.00 C ATOM 865 OE1 GLN A 59 -8.965 19.581 -20.601 1.00 0.00 O ATOM 866 NE2 GLN A 59 -10.634 18.396 -21.517 1.00 0.00 N ATOM 0 H GLN A 59 -11.284 17.099 -19.290 1.00 0.00 H new ATOM 0 HA GLN A 59 -10.134 15.133 -20.909 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.162 17.081 -18.833 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.052 15.835 -19.369 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.542 17.490 -20.876 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.770 16.631 -21.783 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.975 17.485 -21.825 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.225 19.222 -21.616 1.00 0.00 H new ATOM 875 N PHE A 60 -10.121 14.357 -17.685 1.00 0.00 N ATOM 876 CA PHE A 60 -9.970 13.245 -16.748 1.00 0.00 C ATOM 877 C PHE A 60 -10.975 12.131 -17.058 1.00 0.00 C ATOM 878 O PHE A 60 -10.599 10.962 -17.151 1.00 0.00 O ATOM 879 CB PHE A 60 -10.096 13.757 -15.300 1.00 0.00 C ATOM 880 CG PHE A 60 -11.197 13.134 -14.481 1.00 0.00 C ATOM 881 CD1 PHE A 60 -11.104 11.818 -14.062 1.00 0.00 C ATOM 882 CD2 PHE A 60 -12.311 13.872 -14.119 1.00 0.00 C ATOM 883 CE1 PHE A 60 -12.106 11.246 -13.299 1.00 0.00 C ATOM 884 CE2 PHE A 60 -13.315 13.307 -13.354 1.00 0.00 C ATOM 885 CZ PHE A 60 -13.212 11.993 -12.944 1.00 0.00 C ATOM 0 H PHE A 60 -10.386 15.240 -17.249 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.976 12.813 -16.862 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.148 13.587 -14.790 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.254 14.835 -15.328 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -10.239 11.231 -14.334 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -12.397 14.900 -14.438 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -12.024 10.217 -12.981 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -14.179 13.893 -13.078 1.00 0.00 H new ATOM 0 HZ PHE A 60 -13.995 11.550 -12.347 1.00 0.00 H new ATOM 895 N LEU A 61 -12.248 12.500 -17.231 1.00 0.00 N ATOM 896 CA LEU A 61 -13.296 11.530 -17.548 1.00 0.00 C ATOM 897 C LEU A 61 -13.027 10.831 -18.886 1.00 0.00 C ATOM 898 O LEU A 61 -13.428 9.684 -19.079 1.00 0.00 O ATOM 899 CB LEU A 61 -14.670 12.206 -17.573 1.00 0.00 C ATOM 900 CG LEU A 61 -15.261 12.519 -16.194 1.00 0.00 C ATOM 901 CD1 LEU A 61 -16.606 13.216 -16.332 1.00 0.00 C ATOM 902 CD2 LEU A 61 -15.401 11.247 -15.368 1.00 0.00 C ATOM 0 H LEU A 61 -12.576 13.463 -17.157 1.00 0.00 H new ATOM 0 HA LEU A 61 -13.290 10.773 -16.764 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.591 13.135 -18.138 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -15.365 11.563 -18.113 1.00 0.00 H new ATOM 0 HG LEU A 61 -14.578 13.191 -15.675 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -17.009 13.429 -15.342 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -16.478 14.149 -16.880 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -17.297 12.569 -16.873 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -15.822 11.491 -14.393 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -16.060 10.549 -15.884 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.421 10.789 -15.236 1.00 0.00 H new ATOM 914 N GLN A 62 -12.349 11.528 -19.805 1.00 0.00 N ATOM 915 CA GLN A 62 -12.030 10.967 -21.119 1.00 0.00 C ATOM 916 C GLN A 62 -11.061 9.791 -20.992 1.00 0.00 C ATOM 917 O GLN A 62 -11.288 8.733 -21.579 1.00 0.00 O ATOM 918 CB GLN A 62 -11.434 12.045 -22.034 1.00 0.00 C ATOM 919 CG GLN A 62 -11.135 11.558 -23.445 1.00 0.00 C ATOM 920 CD GLN A 62 -12.381 11.111 -24.189 1.00 0.00 C ATOM 921 OE1 GLN A 62 -12.730 9.929 -24.180 1.00 0.00 O ATOM 922 NE2 GLN A 62 -13.057 12.052 -24.840 1.00 0.00 N ATOM 0 H GLN A 62 -12.012 12.480 -19.662 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.957 10.602 -21.562 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.127 12.885 -22.089 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.513 12.420 -21.586 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.650 12.357 -24.005 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.429 10.729 -23.396 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.732 13.019 -24.821 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.901 11.807 -25.359 1.00 0.00 H new ATOM 931 N VAL A 63 -9.986 9.979 -20.222 1.00 0.00 N ATOM 932 CA VAL A 63 -8.992 8.915 -20.021 1.00 0.00 C ATOM 933 C VAL A 63 -9.548 7.809 -19.126 1.00 0.00 C ATOM 934 O VAL A 63 -9.360 6.624 -19.406 1.00 0.00 O ATOM 935 CB VAL A 63 -7.652 9.416 -19.415 1.00 0.00 C ATOM 936 CG1 VAL A 63 -6.534 9.302 -20.442 1.00 0.00 C ATOM 937 CG2 VAL A 63 -7.750 10.843 -18.894 1.00 0.00 C ATOM 0 H VAL A 63 -9.780 10.849 -19.730 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.781 8.532 -21.019 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.425 8.778 -18.561 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.601 9.656 -20.005 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.421 8.260 -20.743 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.779 9.908 -21.315 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.788 11.146 -18.481 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.021 11.511 -19.712 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.512 10.895 -18.116 1.00 0.00 H new ATOM 947 N LEU A 64 -10.234 8.203 -18.048 1.00 0.00 N ATOM 948 CA LEU A 64 -10.818 7.247 -17.110 1.00 0.00 C ATOM 949 C LEU A 64 -11.903 6.402 -17.777 1.00 0.00 C ATOM 950 O LEU A 64 -11.952 5.189 -17.586 1.00 0.00 O ATOM 951 CB LEU A 64 -11.405 7.976 -15.902 1.00 0.00 C ATOM 952 CG LEU A 64 -11.489 7.133 -14.629 1.00 0.00 C ATOM 953 CD1 LEU A 64 -10.550 7.678 -13.562 1.00 0.00 C ATOM 954 CD2 LEU A 64 -12.921 7.086 -14.113 1.00 0.00 C ATOM 0 H LEU A 64 -10.397 9.180 -17.806 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.020 6.582 -16.779 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.800 8.859 -15.698 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.405 8.327 -16.157 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.178 6.116 -14.869 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.624 7.065 -12.664 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.525 7.655 -13.933 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.827 8.705 -13.324 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.962 6.482 -13.207 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.261 8.097 -13.890 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.567 6.645 -14.872 1.00 0.00 H new ATOM 1165 N PHE A 79 -5.208 -5.533 -17.295 1.00 0.00 N ATOM 1166 CA PHE A 79 -3.780 -5.627 -16.984 1.00 0.00 C ATOM 1167 C PHE A 79 -3.236 -7.027 -17.298 1.00 0.00 C ATOM 1168 O PHE A 79 -2.142 -7.160 -17.852 1.00 0.00 O ATOM 1169 CB PHE A 79 -3.525 -5.238 -15.511 1.00 0.00 C ATOM 1170 CG PHE A 79 -3.014 -6.350 -14.629 1.00 0.00 C ATOM 1171 CD1 PHE A 79 -1.706 -6.799 -14.741 1.00 0.00 C ATOM 1172 CD2 PHE A 79 -3.841 -6.940 -13.687 1.00 0.00 C ATOM 1173 CE1 PHE A 79 -1.236 -7.814 -13.932 1.00 0.00 C ATOM 1174 CE2 PHE A 79 -3.375 -7.956 -12.876 1.00 0.00 C ATOM 1175 CZ PHE A 79 -2.072 -8.394 -12.998 1.00 0.00 C ATOM 0 HA PHE A 79 -3.242 -4.922 -17.618 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.806 -4.419 -15.488 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.454 -4.858 -15.087 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.048 -6.349 -15.470 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.862 -6.602 -13.586 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.216 -8.154 -14.029 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.030 -8.408 -12.146 1.00 0.00 H new ATOM 0 HZ PHE A 79 -1.707 -9.189 -12.364 1.00 0.00 H new ATOM 1185 N VAL A 80 -4.006 -8.064 -16.950 1.00 0.00 N ATOM 1186 CA VAL A 80 -3.594 -9.445 -17.205 1.00 0.00 C ATOM 1187 C VAL A 80 -3.543 -9.734 -18.707 1.00 0.00 C ATOM 1188 O VAL A 80 -2.547 -10.251 -19.207 1.00 0.00 O ATOM 1189 CB VAL A 80 -4.539 -10.464 -16.522 1.00 0.00 C ATOM 1190 CG1 VAL A 80 -4.144 -11.892 -16.881 1.00 0.00 C ATOM 1191 CG2 VAL A 80 -4.537 -10.274 -15.011 1.00 0.00 C ATOM 0 H VAL A 80 -4.913 -7.972 -16.493 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.597 -9.557 -16.780 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.550 -10.285 -16.888 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.821 -12.591 -16.390 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.205 -12.026 -17.961 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.123 -12.082 -16.549 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.208 -11.000 -14.552 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.527 -10.419 -14.627 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.875 -9.266 -14.771 1.00 0.00 H new ATOM 1201 N LYS A 81 -4.623 -9.396 -19.417 1.00 0.00 N ATOM 1202 CA LYS A 81 -4.700 -9.620 -20.865 1.00 0.00 C ATOM 1203 C LYS A 81 -3.604 -8.864 -21.623 1.00 0.00 C ATOM 1204 O LYS A 81 -3.184 -9.293 -22.700 1.00 0.00 O ATOM 1205 CB LYS A 81 -6.074 -9.204 -21.394 1.00 0.00 C ATOM 1206 CG LYS A 81 -6.833 -10.327 -22.087 1.00 0.00 C ATOM 1207 CD LYS A 81 -7.056 -11.515 -21.165 1.00 0.00 C ATOM 1208 CE LYS A 81 -7.947 -11.145 -19.993 1.00 0.00 C ATOM 1209 NZ LYS A 81 -8.785 -12.291 -19.540 1.00 0.00 N ATOM 0 H LYS A 81 -5.456 -8.967 -19.014 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.549 -10.686 -21.035 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.674 -8.831 -20.564 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.948 -8.378 -22.094 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.795 -9.953 -22.436 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.278 -10.650 -22.968 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.510 -12.333 -21.725 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.096 -11.876 -20.795 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.329 -10.799 -19.164 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.593 -10.315 -20.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.377 -11.993 -18.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.394 -12.606 -20.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.170 -13.075 -19.243 1.00 0.00 H new ATOM 1223 N GLY A 82 -3.148 -7.739 -21.061 1.00 0.00 N ATOM 1224 CA GLY A 82 -2.116 -6.945 -21.705 1.00 0.00 C ATOM 1225 C GLY A 82 -0.748 -7.601 -21.668 1.00 0.00 C ATOM 1226 O GLY A 82 -0.125 -7.804 -22.710 1.00 0.00 O ATOM 0 H GLY A 82 -3.478 -7.367 -20.170 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.398 -6.766 -22.743 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.058 -5.972 -21.218 1.00 0.00 H new ATOM 1230 N PHE A 83 -0.273 -7.924 -20.464 1.00 0.00 N ATOM 1231 CA PHE A 83 1.041 -8.549 -20.297 1.00 0.00 C ATOM 1232 C PHE A 83 1.015 -10.041 -20.630 1.00 0.00 C ATOM 1233 O PHE A 83 1.956 -10.557 -21.236 1.00 0.00 O ATOM 1234 CB PHE A 83 1.556 -8.339 -18.871 1.00 0.00 C ATOM 1235 CG PHE A 83 2.041 -6.941 -18.611 1.00 0.00 C ATOM 1236 CD1 PHE A 83 3.286 -6.530 -19.064 1.00 0.00 C ATOM 1237 CD2 PHE A 83 1.253 -6.037 -17.918 1.00 0.00 C ATOM 1238 CE1 PHE A 83 3.733 -5.244 -18.829 1.00 0.00 C ATOM 1239 CE2 PHE A 83 1.695 -4.751 -17.680 1.00 0.00 C ATOM 1240 CZ PHE A 83 2.937 -4.354 -18.136 1.00 0.00 C ATOM 0 H PHE A 83 -0.777 -7.764 -19.592 1.00 0.00 H new ATOM 0 HA PHE A 83 1.719 -8.066 -21.001 1.00 0.00 H new ATOM 0 HB2 PHE A 83 0.759 -8.576 -18.166 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.369 -9.039 -18.680 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.913 -7.223 -19.606 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.281 -6.342 -17.559 1.00 0.00 H new ATOM 0 HE1 PHE A 83 4.704 -4.935 -19.187 1.00 0.00 H new ATOM 0 HE2 PHE A 83 1.071 -4.056 -17.138 1.00 0.00 H new ATOM 0 HZ PHE A 83 3.285 -3.349 -17.951 1.00 0.00 H new ATOM 1250 N GLN A 84 -0.055 -10.732 -20.229 1.00 0.00 N ATOM 1251 CA GLN A 84 -0.186 -12.165 -20.488 1.00 0.00 C ATOM 1252 C GLN A 84 -0.609 -12.424 -21.936 1.00 0.00 C ATOM 1253 O GLN A 84 -1.754 -12.790 -22.211 1.00 0.00 O ATOM 1254 CB GLN A 84 -1.184 -12.800 -19.509 1.00 0.00 C ATOM 1255 CG GLN A 84 -1.106 -14.320 -19.440 1.00 0.00 C ATOM 1256 CD GLN A 84 0.289 -14.828 -19.114 1.00 0.00 C ATOM 1257 OE1 GLN A 84 0.986 -15.358 -19.981 1.00 0.00 O ATOM 1258 NE2 GLN A 84 0.703 -14.672 -17.860 1.00 0.00 N ATOM 0 H GLN A 84 -0.841 -10.322 -19.725 1.00 0.00 H new ATOM 0 HA GLN A 84 0.789 -12.628 -20.335 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.009 -12.392 -18.513 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.194 -12.511 -19.799 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.804 -14.680 -18.684 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.426 -14.739 -20.394 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.094 -14.228 -17.173 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.630 -14.997 -17.585 1.00 0.00 H new ATOM 1267 N VAL A 85 0.337 -12.230 -22.856 1.00 0.00 N ATOM 1268 CA VAL A 85 0.093 -12.442 -24.282 1.00 0.00 C ATOM 1269 C VAL A 85 0.998 -13.546 -24.829 1.00 0.00 C ATOM 1270 O VAL A 85 0.553 -14.402 -25.597 1.00 0.00 O ATOM 1271 CB VAL A 85 0.312 -11.141 -25.096 1.00 0.00 C ATOM 1272 CG1 VAL A 85 1.780 -10.720 -25.093 1.00 0.00 C ATOM 1273 CG2 VAL A 85 -0.198 -11.310 -26.521 1.00 0.00 C ATOM 0 H VAL A 85 1.285 -11.924 -22.636 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.949 -12.745 -24.389 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.259 -10.347 -24.615 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.897 -9.805 -25.673 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.106 -10.544 -24.068 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.386 -11.510 -25.536 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.036 -10.387 -27.077 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.340 -12.125 -27.006 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.263 -11.539 -26.501 1.00 0.00 H new ATOM 1283 N PHE A 86 2.270 -13.506 -24.434 1.00 0.00 N ATOM 1284 CA PHE A 86 3.258 -14.483 -24.877 1.00 0.00 C ATOM 1285 C PHE A 86 4.400 -14.604 -23.839 1.00 0.00 C ATOM 1286 O PHE A 86 5.525 -14.989 -24.161 1.00 0.00 O ATOM 1287 CB PHE A 86 3.756 -14.057 -26.275 1.00 0.00 C ATOM 1288 CG PHE A 86 5.118 -14.557 -26.665 1.00 0.00 C ATOM 1289 CD1 PHE A 86 5.316 -15.878 -27.033 1.00 0.00 C ATOM 1290 CD2 PHE A 86 6.198 -13.694 -26.664 1.00 0.00 C ATOM 1291 CE1 PHE A 86 6.572 -16.328 -27.392 1.00 0.00 C ATOM 1292 CE2 PHE A 86 7.457 -14.136 -27.022 1.00 0.00 C ATOM 1293 CZ PHE A 86 7.645 -15.455 -27.387 1.00 0.00 C ATOM 0 H PHE A 86 2.641 -12.798 -23.801 1.00 0.00 H new ATOM 0 HA PHE A 86 2.819 -15.478 -24.956 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.037 -14.403 -27.017 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.763 -12.968 -26.321 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.481 -16.562 -27.039 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.056 -12.662 -26.380 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.716 -17.360 -27.676 1.00 0.00 H new ATOM 0 HE2 PHE A 86 8.293 -13.452 -27.017 1.00 0.00 H new ATOM 0 HZ PHE A 86 8.628 -15.804 -27.668 1.00 0.00 H new ATOM 1303 N ASP A 87 4.090 -14.287 -22.575 1.00 0.00 N ATOM 1304 CA ASP A 87 5.071 -14.366 -21.495 1.00 0.00 C ATOM 1305 C ASP A 87 4.747 -15.521 -20.546 1.00 0.00 C ATOM 1306 O ASP A 87 4.682 -15.345 -19.326 1.00 0.00 O ATOM 1307 CB ASP A 87 5.120 -13.039 -20.728 1.00 0.00 C ATOM 1308 CG ASP A 87 5.859 -11.955 -21.491 1.00 0.00 C ATOM 1309 OD1 ASP A 87 5.234 -11.305 -22.356 1.00 0.00 O ATOM 1310 OD2 ASP A 87 7.063 -11.758 -21.223 1.00 0.00 O ATOM 0 H ASP A 87 3.165 -13.974 -22.279 1.00 0.00 H new ATOM 0 HA ASP A 87 6.051 -14.555 -21.934 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.103 -12.705 -20.521 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.606 -13.197 -19.765 1.00 0.00 H new ATOM 1315 N LYS A 88 4.552 -16.709 -21.123 1.00 0.00 N ATOM 1316 CA LYS A 88 4.241 -17.909 -20.344 1.00 0.00 C ATOM 1317 C LYS A 88 5.456 -18.385 -19.543 1.00 0.00 C ATOM 1318 O LYS A 88 5.304 -18.993 -18.483 1.00 0.00 O ATOM 1319 CB LYS A 88 3.758 -19.034 -21.266 1.00 0.00 C ATOM 1320 CG LYS A 88 2.432 -18.737 -21.951 1.00 0.00 C ATOM 1321 CD LYS A 88 1.322 -19.651 -21.452 1.00 0.00 C ATOM 1322 CE LYS A 88 0.430 -18.947 -20.441 1.00 0.00 C ATOM 1323 NZ LYS A 88 0.892 -19.165 -19.041 1.00 0.00 N ATOM 0 H LYS A 88 4.604 -16.865 -22.130 1.00 0.00 H new ATOM 0 HA LYS A 88 3.448 -17.650 -19.643 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.516 -19.219 -22.027 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.659 -19.951 -20.685 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.155 -17.698 -21.773 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.545 -18.856 -23.029 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.721 -19.988 -22.296 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.759 -20.540 -20.996 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.413 -17.878 -20.655 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.593 -19.309 -20.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.440 -18.469 -18.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.634 -20.125 -18.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.925 -19.053 -18.995 1.00 0.00 H new ATOM 1337 N ASP A 89 6.659 -18.108 -20.056 1.00 0.00 N ATOM 1338 CA ASP A 89 7.894 -18.514 -19.389 1.00 0.00 C ATOM 1339 C ASP A 89 8.275 -17.523 -18.289 1.00 0.00 C ATOM 1340 O ASP A 89 8.412 -17.905 -17.125 1.00 0.00 O ATOM 1341 CB ASP A 89 9.029 -18.637 -20.410 1.00 0.00 C ATOM 1342 CG ASP A 89 10.296 -19.214 -19.808 1.00 0.00 C ATOM 1343 OD1 ASP A 89 10.347 -20.445 -19.598 1.00 0.00 O ATOM 1344 OD2 ASP A 89 11.237 -18.436 -19.546 1.00 0.00 O ATOM 0 H ASP A 89 6.801 -17.604 -20.931 1.00 0.00 H new ATOM 0 HA ASP A 89 7.727 -19.486 -18.925 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.703 -19.270 -21.236 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.245 -17.654 -20.828 1.00 0.00 H new ATOM 1349 N ALA A 90 8.445 -16.249 -18.667 1.00 0.00 N ATOM 1350 CA ALA A 90 8.812 -15.198 -17.714 1.00 0.00 C ATOM 1351 C ALA A 90 10.154 -15.499 -17.035 1.00 0.00 C ATOM 1352 O ALA A 90 10.837 -16.462 -17.395 1.00 0.00 O ATOM 1353 CB ALA A 90 7.707 -15.013 -16.678 1.00 0.00 C ATOM 0 H ALA A 90 8.334 -15.923 -19.627 1.00 0.00 H new ATOM 0 HA ALA A 90 8.929 -14.267 -18.268 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.993 -14.229 -15.977 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.781 -14.731 -17.180 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.556 -15.947 -16.137 1.00 0.00 H new ATOM 1359 N THR A 91 10.526 -14.662 -16.057 1.00 0.00 N ATOM 1360 CA THR A 91 11.785 -14.819 -15.319 1.00 0.00 C ATOM 1361 C THR A 91 12.952 -15.122 -16.266 1.00 0.00 C ATOM 1362 O THR A 91 13.601 -16.166 -16.162 1.00 0.00 O ATOM 1363 CB THR A 91 11.651 -15.914 -14.245 1.00 0.00 C ATOM 1364 OG1 THR A 91 11.327 -17.168 -14.826 1.00 0.00 O ATOM 1365 CG2 THR A 91 10.593 -15.604 -13.205 1.00 0.00 C ATOM 0 H THR A 91 9.967 -13.863 -15.757 1.00 0.00 H new ATOM 0 HA THR A 91 12.001 -13.874 -14.821 1.00 0.00 H new ATOM 0 HB THR A 91 12.625 -15.952 -13.757 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.871 -17.307 -15.629 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.549 -16.415 -12.478 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.845 -14.673 -12.696 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.623 -15.501 -13.692 1.00 0.00 H new ATOM 1373 N GLY A 92 13.205 -14.197 -17.192 1.00 0.00 N ATOM 1374 CA GLY A 92 14.285 -14.370 -18.150 1.00 0.00 C ATOM 1375 C GLY A 92 14.188 -13.428 -19.342 1.00 0.00 C ATOM 1376 O GLY A 92 15.211 -13.000 -19.880 1.00 0.00 O ATOM 0 H GLY A 92 12.679 -13.329 -17.295 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.238 -14.210 -17.646 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.283 -15.400 -18.508 1.00 0.00 H new ATOM 1380 N MET A 93 12.957 -13.107 -19.759 1.00 0.00 N ATOM 1381 CA MET A 93 12.733 -12.218 -20.897 1.00 0.00 C ATOM 1382 C MET A 93 11.299 -11.692 -20.903 1.00 0.00 C ATOM 1383 O MET A 93 10.363 -12.407 -20.537 1.00 0.00 O ATOM 1384 CB MET A 93 13.025 -12.949 -22.213 1.00 0.00 C ATOM 1385 CG MET A 93 12.159 -14.182 -22.443 1.00 0.00 C ATOM 1386 SD MET A 93 12.837 -15.666 -21.673 1.00 0.00 S ATOM 1387 CE MET A 93 13.252 -16.638 -23.119 1.00 0.00 C ATOM 0 H MET A 93 12.102 -13.452 -19.322 1.00 0.00 H new ATOM 0 HA MET A 93 13.413 -11.372 -20.802 1.00 0.00 H new ATOM 0 HB2 MET A 93 12.880 -12.256 -23.042 1.00 0.00 H new ATOM 0 HB3 MET A 93 14.074 -13.246 -22.226 1.00 0.00 H new ATOM 0 HG2 MET A 93 11.160 -13.997 -22.048 1.00 0.00 H new ATOM 0 HG3 MET A 93 12.052 -14.351 -23.515 1.00 0.00 H new ATOM 0 HE1 MET A 93 13.684 -17.589 -22.807 1.00 0.00 H new ATOM 0 HE2 MET A 93 12.351 -16.823 -23.704 1.00 0.00 H new ATOM 0 HE3 MET A 93 13.974 -16.094 -23.728 1.00 0.00 H new ATOM 1397 N ILE A 94 11.133 -10.441 -21.324 1.00 0.00 N ATOM 1398 CA ILE A 94 9.812 -9.823 -21.380 1.00 0.00 C ATOM 1399 C ILE A 94 9.404 -9.514 -22.825 1.00 0.00 C ATOM 1400 O ILE A 94 8.253 -9.734 -23.208 1.00 0.00 O ATOM 1401 CB ILE A 94 9.758 -8.544 -20.505 1.00 0.00 C ATOM 1402 CG1 ILE A 94 8.329 -8.299 -19.992 1.00 0.00 C ATOM 1403 CG2 ILE A 94 10.287 -7.323 -21.250 1.00 0.00 C ATOM 1404 CD1 ILE A 94 7.343 -7.872 -21.063 1.00 0.00 C ATOM 0 H ILE A 94 11.895 -9.837 -21.631 1.00 0.00 H new ATOM 0 HA ILE A 94 9.095 -10.538 -20.977 1.00 0.00 H new ATOM 0 HB ILE A 94 10.411 -8.705 -19.647 1.00 0.00 H new ATOM 0 HG12 ILE A 94 7.963 -9.212 -19.522 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.360 -7.532 -19.218 1.00 0.00 H new ATOM 0 HG21 ILE A 94 10.231 -6.449 -20.601 1.00 0.00 H new ATOM 0 HG22 ILE A 94 11.324 -7.495 -21.540 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.684 -7.152 -22.142 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.361 -7.721 -20.614 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.681 -6.941 -21.518 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.278 -8.647 -21.827 1.00 0.00 H new ATOM 1416 N GLY A 95 10.354 -9.012 -23.623 1.00 0.00 N ATOM 1417 CA GLY A 95 10.075 -8.691 -25.011 1.00 0.00 C ATOM 1418 C GLY A 95 9.084 -7.552 -25.157 1.00 0.00 C ATOM 1419 O GLY A 95 7.907 -7.787 -25.436 1.00 0.00 O ATOM 0 H GLY A 95 11.312 -8.824 -23.327 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.005 -8.425 -25.513 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.683 -9.576 -25.513 1.00 0.00 H new ATOM 1423 N VAL A 96 9.564 -6.319 -24.964 1.00 0.00 N ATOM 1424 CA VAL A 96 8.722 -5.123 -25.076 1.00 0.00 C ATOM 1425 C VAL A 96 7.832 -5.168 -26.321 1.00 0.00 C ATOM 1426 O VAL A 96 6.661 -4.808 -26.255 1.00 0.00 O ATOM 1427 CB VAL A 96 9.552 -3.819 -25.090 1.00 0.00 C ATOM 1428 CG1 VAL A 96 8.635 -2.610 -25.237 1.00 0.00 C ATOM 1429 CG2 VAL A 96 10.394 -3.701 -23.825 1.00 0.00 C ATOM 0 H VAL A 96 10.537 -6.123 -24.728 1.00 0.00 H new ATOM 0 HA VAL A 96 8.091 -5.122 -24.187 1.00 0.00 H new ATOM 0 HB VAL A 96 10.227 -3.850 -25.945 1.00 0.00 H new ATOM 0 HG11 VAL A 96 9.233 -1.699 -25.245 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.078 -2.687 -26.171 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.937 -2.579 -24.400 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.970 -2.776 -23.856 1.00 0.00 H new ATOM 0 HG22 VAL A 96 9.741 -3.692 -22.953 1.00 0.00 H new ATOM 0 HG23 VAL A 96 11.074 -4.550 -23.760 1.00 0.00 H new ATOM 1439 N GLY A 97 8.399 -5.613 -27.452 1.00 0.00 N ATOM 1440 CA GLY A 97 7.640 -5.702 -28.697 1.00 0.00 C ATOM 1441 C GLY A 97 6.279 -6.358 -28.514 1.00 0.00 C ATOM 1442 O GLY A 97 5.299 -5.944 -29.136 1.00 0.00 O ATOM 0 H GLY A 97 9.371 -5.913 -27.525 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.503 -4.701 -29.106 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.216 -6.269 -29.428 1.00 0.00 H new ATOM 1446 N GLU A 98 6.221 -7.372 -27.647 1.00 0.00 N ATOM 1447 CA GLU A 98 4.972 -8.080 -27.366 1.00 0.00 C ATOM 1448 C GLU A 98 4.121 -7.292 -26.370 1.00 0.00 C ATOM 1449 O GLU A 98 2.922 -7.101 -26.585 1.00 0.00 O ATOM 1450 CB GLU A 98 5.253 -9.486 -26.814 1.00 0.00 C ATOM 1451 CG GLU A 98 6.456 -10.179 -27.444 1.00 0.00 C ATOM 1452 CD GLU A 98 6.312 -10.365 -28.942 1.00 0.00 C ATOM 1453 OE1 GLU A 98 5.551 -11.264 -29.358 1.00 0.00 O ATOM 1454 OE2 GLU A 98 6.960 -9.611 -29.699 1.00 0.00 O ATOM 0 H GLU A 98 7.026 -7.721 -27.127 1.00 0.00 H new ATOM 0 HA GLU A 98 4.423 -8.176 -28.303 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.411 -9.416 -25.738 1.00 0.00 H new ATOM 0 HB3 GLU A 98 4.370 -10.107 -26.967 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.353 -9.595 -27.240 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.596 -11.152 -26.974 1.00 0.00 H new ATOM 1461 N LEU A 99 4.753 -6.830 -25.284 1.00 0.00 N ATOM 1462 CA LEU A 99 4.058 -6.054 -24.255 1.00 0.00 C ATOM 1463 C LEU A 99 3.422 -4.797 -24.857 1.00 0.00 C ATOM 1464 O LEU A 99 2.283 -4.455 -24.532 1.00 0.00 O ATOM 1465 CB LEU A 99 5.019 -5.702 -23.100 1.00 0.00 C ATOM 1466 CG LEU A 99 5.587 -4.274 -23.084 1.00 0.00 C ATOM 1467 CD1 LEU A 99 4.573 -3.292 -22.510 1.00 0.00 C ATOM 1468 CD2 LEU A 99 6.881 -4.229 -22.281 1.00 0.00 C ATOM 0 H LEU A 99 5.744 -6.981 -25.097 1.00 0.00 H new ATOM 0 HA LEU A 99 3.254 -6.665 -23.846 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.496 -5.870 -22.159 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.855 -6.400 -23.129 1.00 0.00 H new ATOM 0 HG LEU A 99 5.801 -3.980 -24.112 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.998 -2.288 -22.509 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.670 -3.303 -23.121 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.324 -3.581 -21.489 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.272 -3.212 -22.278 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.685 -4.545 -21.257 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.613 -4.898 -22.733 1.00 0.00 H new ATOM 1480 N ARG A 100 4.157 -4.125 -25.749 1.00 0.00 N ATOM 1481 CA ARG A 100 3.656 -2.921 -26.409 1.00 0.00 C ATOM 1482 C ARG A 100 2.604 -3.276 -27.461 1.00 0.00 C ATOM 1483 O ARG A 100 1.646 -2.532 -27.651 1.00 0.00 O ATOM 1484 CB ARG A 100 4.803 -2.118 -27.044 1.00 0.00 C ATOM 1485 CG ARG A 100 5.524 -2.830 -28.184 1.00 0.00 C ATOM 1486 CD ARG A 100 5.487 -2.015 -29.470 1.00 0.00 C ATOM 1487 NE ARG A 100 4.334 -2.356 -30.307 1.00 0.00 N ATOM 1488 CZ ARG A 100 4.290 -2.193 -31.634 1.00 0.00 C ATOM 1489 NH1 ARG A 100 5.324 -1.667 -32.290 1.00 0.00 N ATOM 1490 NH2 ARG A 100 3.200 -2.553 -32.307 1.00 0.00 N ATOM 0 H ARG A 100 5.100 -4.396 -26.029 1.00 0.00 H new ATOM 0 HA ARG A 100 3.187 -2.296 -25.649 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.405 -1.174 -27.417 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.530 -1.873 -26.269 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.560 -3.015 -27.900 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.062 -3.802 -28.356 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.455 -0.953 -29.225 1.00 0.00 H new ATOM 0 HD3 ARG A 100 6.405 -2.185 -30.032 1.00 0.00 H new ATOM 0 HE ARG A 100 3.510 -2.743 -29.847 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.161 -1.384 -31.780 1.00 0.00 H new ATOM 0 HH12 ARG A 100 5.279 -1.548 -33.302 1.00 0.00 H new ATOM 0 HH21 ARG A 100 2.403 -2.951 -31.811 1.00 0.00 H new ATOM 0 HH22 ARG A 100 3.162 -2.431 -33.319 1.00 0.00 H new ATOM 1504 N TYR A 101 2.776 -4.420 -28.134 1.00 0.00 N ATOM 1505 CA TYR A 101 1.822 -4.865 -29.155 1.00 0.00 C ATOM 1506 C TYR A 101 0.403 -4.948 -28.580 1.00 0.00 C ATOM 1507 O TYR A 101 -0.568 -4.604 -29.256 1.00 0.00 O ATOM 1508 CB TYR A 101 2.244 -6.226 -29.724 1.00 0.00 C ATOM 1509 CG TYR A 101 1.234 -6.837 -30.677 1.00 0.00 C ATOM 1510 CD1 TYR A 101 1.082 -6.347 -31.969 1.00 0.00 C ATOM 1511 CD2 TYR A 101 0.435 -7.903 -30.282 1.00 0.00 C ATOM 1512 CE1 TYR A 101 0.162 -6.901 -32.838 1.00 0.00 C ATOM 1513 CE2 TYR A 101 -0.487 -8.463 -31.147 1.00 0.00 C ATOM 1514 CZ TYR A 101 -0.619 -7.958 -32.423 1.00 0.00 C ATOM 1515 OH TYR A 101 -1.538 -8.512 -33.286 1.00 0.00 O ATOM 0 H TYR A 101 3.564 -5.052 -27.990 1.00 0.00 H new ATOM 0 HA TYR A 101 1.822 -4.131 -29.961 1.00 0.00 H new ATOM 0 HB2 TYR A 101 3.195 -6.112 -30.244 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.413 -6.917 -28.898 1.00 0.00 H new ATOM 0 HD1 TYR A 101 1.693 -5.520 -32.299 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.536 -8.301 -29.283 1.00 0.00 H new ATOM 0 HE1 TYR A 101 0.055 -6.508 -33.838 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -1.100 -9.291 -30.825 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.005 -9.248 -32.838 1.00 0.00 H new ATOM 1525 N VAL A 102 0.296 -5.401 -27.327 1.00 0.00 N ATOM 1526 CA VAL A 102 -1.002 -5.525 -26.660 1.00 0.00 C ATOM 1527 C VAL A 102 -1.499 -4.167 -26.157 1.00 0.00 C ATOM 1528 O VAL A 102 -2.664 -3.812 -26.349 1.00 0.00 O ATOM 1529 CB VAL A 102 -0.951 -6.498 -25.456 1.00 0.00 C ATOM 1530 CG1 VAL A 102 -2.348 -6.996 -25.116 1.00 0.00 C ATOM 1531 CG2 VAL A 102 -0.016 -7.672 -25.723 1.00 0.00 C ATOM 0 H VAL A 102 1.091 -5.687 -26.756 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.687 -5.921 -27.410 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.555 -5.948 -24.602 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -2.295 -7.679 -24.268 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -2.984 -6.149 -24.860 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.768 -7.518 -25.976 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.006 -8.333 -24.857 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.365 -8.223 -26.596 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.992 -7.300 -25.907 1.00 0.00 H new ATOM 1541 N LEU A 103 -0.609 -3.425 -25.494 1.00 0.00 N ATOM 1542 CA LEU A 103 -0.943 -2.113 -24.932 1.00 0.00 C ATOM 1543 C LEU A 103 -1.260 -1.077 -26.017 1.00 0.00 C ATOM 1544 O LEU A 103 -2.245 -0.349 -25.909 1.00 0.00 O ATOM 1545 CB LEU A 103 0.205 -1.620 -24.046 1.00 0.00 C ATOM 1546 CG LEU A 103 0.022 -1.881 -22.549 1.00 0.00 C ATOM 1547 CD1 LEU A 103 1.372 -2.039 -21.864 1.00 0.00 C ATOM 1548 CD2 LEU A 103 -0.777 -0.757 -21.907 1.00 0.00 C ATOM 0 H LEU A 103 0.356 -3.713 -25.332 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.845 -2.233 -24.332 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.128 -2.098 -24.373 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.329 -0.548 -24.201 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.533 -2.811 -22.427 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.221 -2.224 -20.800 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.908 -2.879 -22.306 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.955 -1.127 -21.995 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.898 -0.958 -20.843 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.249 0.187 -22.040 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.758 -0.693 -22.378 1.00 0.00 H new ATOM 1560 N THR A 104 -0.425 -1.011 -27.056 1.00 0.00 N ATOM 1561 CA THR A 104 -0.627 -0.059 -28.153 1.00 0.00 C ATOM 1562 C THR A 104 -2.014 -0.219 -28.785 1.00 0.00 C ATOM 1563 O THR A 104 -2.633 0.766 -29.191 1.00 0.00 O ATOM 1564 CB THR A 104 0.462 -0.233 -29.221 1.00 0.00 C ATOM 1565 OG1 THR A 104 1.751 -0.037 -28.664 1.00 0.00 O ATOM 1566 CG2 THR A 104 0.322 0.721 -30.389 1.00 0.00 C ATOM 0 H THR A 104 0.398 -1.605 -27.162 1.00 0.00 H new ATOM 0 HA THR A 104 -0.560 0.946 -27.736 1.00 0.00 H new ATOM 0 HB THR A 104 0.338 -1.252 -29.588 1.00 0.00 H new ATOM 0 HG1 THR A 104 2.025 -0.845 -28.181 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.125 0.541 -31.104 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.640 0.561 -30.876 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.380 1.748 -30.029 1.00 0.00 H new ATOM 1574 N SER A 105 -2.497 -1.464 -28.855 1.00 0.00 N ATOM 1575 CA SER A 105 -3.811 -1.752 -29.431 1.00 0.00 C ATOM 1576 C SER A 105 -4.952 -1.279 -28.517 1.00 0.00 C ATOM 1577 O SER A 105 -6.086 -1.119 -28.974 1.00 0.00 O ATOM 1578 CB SER A 105 -3.948 -3.252 -29.704 1.00 0.00 C ATOM 1579 OG SER A 105 -5.166 -3.545 -30.365 1.00 0.00 O ATOM 0 H SER A 105 -1.996 -2.287 -28.520 1.00 0.00 H new ATOM 0 HA SER A 105 -3.887 -1.202 -30.369 1.00 0.00 H new ATOM 0 HB2 SER A 105 -3.110 -3.591 -30.313 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.901 -3.801 -28.763 1.00 0.00 H new ATOM 0 HG SER A 105 -5.858 -2.918 -30.069 1.00 0.00 H new ATOM 1585 N LEU A 106 -4.652 -1.059 -27.231 1.00 0.00 N ATOM 1586 CA LEU A 106 -5.658 -0.609 -26.269 1.00 0.00 C ATOM 1587 C LEU A 106 -6.115 0.818 -26.568 1.00 0.00 C ATOM 1588 O LEU A 106 -7.263 1.037 -26.960 1.00 0.00 O ATOM 1589 CB LEU A 106 -5.113 -0.695 -24.838 1.00 0.00 C ATOM 1590 CG LEU A 106 -5.833 -1.688 -23.922 1.00 0.00 C ATOM 1591 CD1 LEU A 106 -5.139 -1.767 -22.571 1.00 0.00 C ATOM 1592 CD2 LEU A 106 -7.296 -1.298 -23.752 1.00 0.00 C ATOM 0 H LEU A 106 -3.720 -1.186 -26.836 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.520 -1.270 -26.361 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.059 -0.967 -24.884 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.167 0.296 -24.386 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.794 -2.674 -24.386 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.665 -2.478 -21.933 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.109 -2.096 -22.710 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.145 -0.784 -22.101 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.790 -2.016 -23.098 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.358 -0.303 -23.312 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.787 -1.296 -24.725 1.00 0.00 H new ATOM 1604 N GLY A 107 -5.214 1.786 -26.376 1.00 0.00 N ATOM 1605 CA GLY A 107 -5.547 3.179 -26.626 1.00 0.00 C ATOM 1606 C GLY A 107 -4.319 4.036 -26.874 1.00 0.00 C ATOM 1607 O GLY A 107 -4.105 5.034 -26.183 1.00 0.00 O ATOM 0 H GLY A 107 -4.260 1.627 -26.052 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.210 3.241 -27.489 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.097 3.576 -25.773 1.00 0.00 H new ATOM 1611 N GLU A 108 -3.512 3.639 -27.863 1.00 0.00 N ATOM 1612 CA GLU A 108 -2.287 4.365 -28.216 1.00 0.00 C ATOM 1613 C GLU A 108 -1.329 4.452 -27.026 1.00 0.00 C ATOM 1614 O GLU A 108 -0.762 5.511 -26.743 1.00 0.00 O ATOM 1615 CB GLU A 108 -2.627 5.764 -28.741 1.00 0.00 C ATOM 1616 CG GLU A 108 -3.045 5.781 -30.204 1.00 0.00 C ATOM 1617 CD GLU A 108 -3.377 7.176 -30.701 1.00 0.00 C ATOM 1618 OE1 GLU A 108 -4.525 7.622 -30.496 1.00 0.00 O ATOM 1619 OE2 GLU A 108 -2.488 7.820 -31.297 1.00 0.00 O ATOM 0 H GLU A 108 -3.686 2.814 -28.437 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.783 3.809 -29.007 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.431 6.184 -28.137 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.760 6.412 -28.612 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.242 5.364 -30.812 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.913 5.136 -30.337 1.00 0.00 H new ATOM 1626 N LYS A 109 -1.146 3.319 -26.341 1.00 0.00 N ATOM 1627 CA LYS A 109 -0.246 3.233 -25.191 1.00 0.00 C ATOM 1628 C LYS A 109 1.218 3.373 -25.649 1.00 0.00 C ATOM 1629 O LYS A 109 1.522 4.217 -26.493 1.00 0.00 O ATOM 1630 CB LYS A 109 -0.483 1.920 -24.432 1.00 0.00 C ATOM 1631 CG LYS A 109 -1.920 1.737 -23.967 1.00 0.00 C ATOM 1632 CD LYS A 109 -2.263 2.663 -22.810 1.00 0.00 C ATOM 1633 CE LYS A 109 -3.705 3.141 -22.885 1.00 0.00 C ATOM 1634 NZ LYS A 109 -4.663 2.141 -22.329 1.00 0.00 N ATOM 0 H LYS A 109 -1.615 2.442 -26.567 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.456 4.054 -24.506 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.209 1.084 -25.075 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.178 1.886 -23.566 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -2.598 1.928 -24.799 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.074 0.702 -23.662 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.100 2.143 -21.866 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -1.593 3.523 -22.820 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -3.804 4.078 -22.338 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.963 3.349 -23.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -5.611 2.314 -22.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.352 1.182 -22.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.694 2.228 -21.293 1.00 0.00 H new ATOM 1648 N LEU A 110 2.126 2.552 -25.100 1.00 0.00 N ATOM 1649 CA LEU A 110 3.540 2.609 -25.482 1.00 0.00 C ATOM 1650 C LEU A 110 3.731 2.103 -26.916 1.00 0.00 C ATOM 1651 O LEU A 110 4.143 0.962 -27.134 1.00 0.00 O ATOM 1652 CB LEU A 110 4.397 1.787 -24.509 1.00 0.00 C ATOM 1653 CG LEU A 110 4.325 2.225 -23.042 1.00 0.00 C ATOM 1654 CD1 LEU A 110 4.565 1.040 -22.118 1.00 0.00 C ATOM 1655 CD2 LEU A 110 5.330 3.334 -22.762 1.00 0.00 C ATOM 0 H LEU A 110 1.906 1.847 -24.396 1.00 0.00 H new ATOM 0 HA LEU A 110 3.864 3.649 -25.435 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.091 0.743 -24.575 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.436 1.836 -24.835 1.00 0.00 H new ATOM 0 HG LEU A 110 3.325 2.614 -22.850 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.510 1.370 -21.081 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.805 0.279 -22.297 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.552 0.620 -22.313 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.263 3.630 -21.715 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.337 2.974 -22.973 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.111 4.192 -23.397 1.00 0.00 H new ATOM 1667 N SER A 111 3.413 2.962 -27.889 1.00 0.00 N ATOM 1668 CA SER A 111 3.529 2.620 -29.309 1.00 0.00 C ATOM 1669 C SER A 111 4.985 2.377 -29.720 1.00 0.00 C ATOM 1670 O SER A 111 5.894 2.415 -28.886 1.00 0.00 O ATOM 1671 CB SER A 111 2.922 3.738 -30.166 1.00 0.00 C ATOM 1672 OG SER A 111 3.664 4.941 -30.043 1.00 0.00 O ATOM 0 H SER A 111 3.070 3.907 -27.716 1.00 0.00 H new ATOM 0 HA SER A 111 2.980 1.692 -29.473 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.899 3.427 -31.210 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.890 3.912 -29.863 1.00 0.00 H new ATOM 0 HG SER A 111 3.763 5.169 -29.095 1.00 0.00 H new ATOM 1678 N ASN A 112 5.192 2.128 -31.017 1.00 0.00 N ATOM 1679 CA ASN A 112 6.527 1.877 -31.564 1.00 0.00 C ATOM 1680 C ASN A 112 7.517 2.984 -31.180 1.00 0.00 C ATOM 1681 O ASN A 112 8.701 2.714 -31.004 1.00 0.00 O ATOM 1682 CB ASN A 112 6.455 1.737 -33.089 1.00 0.00 C ATOM 1683 CG ASN A 112 7.785 1.344 -33.713 1.00 0.00 C ATOM 1684 OD1 ASN A 112 8.564 0.594 -33.126 1.00 0.00 O ATOM 1685 ND2 ASN A 112 8.052 1.850 -34.914 1.00 0.00 N ATOM 0 H ASN A 112 4.445 2.095 -31.711 1.00 0.00 H new ATOM 0 HA ASN A 112 6.891 0.945 -31.133 1.00 0.00 H new ATOM 0 HB2 ASN A 112 5.705 0.989 -33.345 1.00 0.00 H new ATOM 0 HB3 ASN A 112 6.123 2.682 -33.520 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.929 1.619 -35.381 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.380 2.468 -35.368 1.00 0.00 H new ATOM 1692 N GLU A 113 7.028 4.222 -31.054 1.00 0.00 N ATOM 1693 CA GLU A 113 7.880 5.360 -30.693 1.00 0.00 C ATOM 1694 C GLU A 113 8.525 5.175 -29.315 1.00 0.00 C ATOM 1695 O GLU A 113 9.748 5.274 -29.181 1.00 0.00 O ATOM 1696 CB GLU A 113 7.067 6.655 -30.708 1.00 0.00 C ATOM 1697 CG GLU A 113 7.911 7.905 -30.915 1.00 0.00 C ATOM 1698 CD GLU A 113 7.768 8.482 -32.311 1.00 0.00 C ATOM 1699 OE1 GLU A 113 8.433 7.969 -33.238 1.00 0.00 O ATOM 1700 OE2 GLU A 113 6.994 9.447 -32.479 1.00 0.00 O ATOM 0 H GLU A 113 6.047 4.462 -31.197 1.00 0.00 H new ATOM 0 HA GLU A 113 8.677 5.417 -31.434 1.00 0.00 H new ATOM 0 HB2 GLU A 113 6.321 6.596 -31.500 1.00 0.00 H new ATOM 0 HB3 GLU A 113 6.526 6.745 -29.766 1.00 0.00 H new ATOM 0 HG2 GLU A 113 7.622 8.659 -30.183 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.958 7.666 -30.730 1.00 0.00 H new ATOM 1707 N GLU A 114 7.699 4.913 -28.295 1.00 0.00 N ATOM 1708 CA GLU A 114 8.200 4.723 -26.931 1.00 0.00 C ATOM 1709 C GLU A 114 9.217 3.583 -26.876 1.00 0.00 C ATOM 1710 O GLU A 114 10.325 3.756 -26.362 1.00 0.00 O ATOM 1711 CB GLU A 114 7.044 4.449 -25.963 1.00 0.00 C ATOM 1712 CG GLU A 114 6.359 5.715 -25.465 1.00 0.00 C ATOM 1713 CD GLU A 114 4.886 5.780 -25.834 1.00 0.00 C ATOM 1714 OE1 GLU A 114 4.571 5.745 -27.044 1.00 0.00 O ATOM 1715 OE2 GLU A 114 4.048 5.869 -24.911 1.00 0.00 O ATOM 0 H GLU A 114 6.687 4.828 -28.388 1.00 0.00 H new ATOM 0 HA GLU A 114 8.699 5.643 -26.626 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.307 3.817 -26.459 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.421 3.888 -25.108 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.459 5.773 -24.381 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.870 6.584 -25.879 1.00 0.00 H new ATOM 1722 N MET A 115 8.839 2.423 -27.418 1.00 0.00 N ATOM 1723 CA MET A 115 9.727 1.261 -27.440 1.00 0.00 C ATOM 1724 C MET A 115 10.938 1.500 -28.350 1.00 0.00 C ATOM 1725 O MET A 115 11.999 0.920 -28.128 1.00 0.00 O ATOM 1726 CB MET A 115 8.967 0.001 -27.882 1.00 0.00 C ATOM 1727 CG MET A 115 8.519 0.022 -29.337 1.00 0.00 C ATOM 1728 SD MET A 115 9.783 -0.597 -30.464 1.00 0.00 S ATOM 1729 CE MET A 115 8.941 -2.011 -31.172 1.00 0.00 C ATOM 0 H MET A 115 7.927 2.265 -27.846 1.00 0.00 H new ATOM 0 HA MET A 115 10.093 1.108 -26.425 1.00 0.00 H new ATOM 0 HB2 MET A 115 9.604 -0.869 -27.722 1.00 0.00 H new ATOM 0 HB3 MET A 115 8.091 -0.124 -27.245 1.00 0.00 H new ATOM 0 HG2 MET A 115 7.617 -0.580 -29.444 1.00 0.00 H new ATOM 0 HG3 MET A 115 8.256 1.042 -29.617 1.00 0.00 H new ATOM 0 HE1 MET A 115 9.631 -2.563 -31.810 1.00 0.00 H new ATOM 0 HE2 MET A 115 8.587 -2.662 -30.372 1.00 0.00 H new ATOM 0 HE3 MET A 115 8.092 -1.670 -31.765 1.00 0.00 H new ATOM 1739 N ASP A 116 10.782 2.361 -29.369 1.00 0.00 N ATOM 1740 CA ASP A 116 11.879 2.669 -30.291 1.00 0.00 C ATOM 1741 C ASP A 116 13.074 3.232 -29.529 1.00 0.00 C ATOM 1742 O ASP A 116 14.204 2.777 -29.709 1.00 0.00 O ATOM 1743 CB ASP A 116 11.433 3.672 -31.363 1.00 0.00 C ATOM 1744 CG ASP A 116 11.106 3.023 -32.700 1.00 0.00 C ATOM 1745 OD1 ASP A 116 11.768 2.027 -33.065 1.00 0.00 O ATOM 1746 OD2 ASP A 116 10.189 3.520 -33.386 1.00 0.00 O ATOM 0 H ASP A 116 9.911 2.852 -29.572 1.00 0.00 H new ATOM 0 HA ASP A 116 12.171 1.741 -30.782 1.00 0.00 H new ATOM 0 HB2 ASP A 116 10.555 4.209 -31.004 1.00 0.00 H new ATOM 0 HB3 ASP A 116 12.221 4.411 -31.509 1.00 0.00 H new ATOM 1751 N GLU A 117 12.809 4.219 -28.670 1.00 0.00 N ATOM 1752 CA GLU A 117 13.856 4.846 -27.863 1.00 0.00 C ATOM 1753 C GLU A 117 14.424 3.854 -26.847 1.00 0.00 C ATOM 1754 O GLU A 117 15.638 3.792 -26.643 1.00 0.00 O ATOM 1755 CB GLU A 117 13.313 6.081 -27.138 1.00 0.00 C ATOM 1756 CG GLU A 117 12.653 7.096 -28.060 1.00 0.00 C ATOM 1757 CD GLU A 117 13.249 8.483 -27.924 1.00 0.00 C ATOM 1758 OE1 GLU A 117 14.217 8.788 -28.652 1.00 0.00 O ATOM 1759 OE2 GLU A 117 12.747 9.266 -27.090 1.00 0.00 O ATOM 0 H GLU A 117 11.876 4.601 -28.516 1.00 0.00 H new ATOM 0 HA GLU A 117 14.657 5.156 -28.535 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.589 5.761 -26.388 1.00 0.00 H new ATOM 0 HB3 GLU A 117 14.131 6.566 -26.605 1.00 0.00 H new ATOM 0 HG2 GLU A 117 12.753 6.762 -29.093 1.00 0.00 H new ATOM 0 HG3 GLU A 117 11.586 7.140 -27.841 1.00 0.00 H new ATOM 1766 N LEU A 118 13.535 3.075 -26.217 1.00 0.00 N ATOM 1767 CA LEU A 118 13.945 2.078 -25.226 1.00 0.00 C ATOM 1768 C LEU A 118 14.850 1.016 -25.859 1.00 0.00 C ATOM 1769 O LEU A 118 15.867 0.633 -25.279 1.00 0.00 O ATOM 1770 CB LEU A 118 12.705 1.436 -24.570 1.00 0.00 C ATOM 1771 CG LEU A 118 12.419 -0.030 -24.928 1.00 0.00 C ATOM 1772 CD1 LEU A 118 13.329 -0.969 -24.145 1.00 0.00 C ATOM 1773 CD2 LEU A 118 10.958 -0.360 -24.662 1.00 0.00 C ATOM 0 H LEU A 118 12.529 3.118 -26.377 1.00 0.00 H new ATOM 0 HA LEU A 118 14.522 2.579 -24.449 1.00 0.00 H new ATOM 0 HB2 LEU A 118 12.817 1.507 -23.488 1.00 0.00 H new ATOM 0 HB3 LEU A 118 11.831 2.029 -24.840 1.00 0.00 H new ATOM 0 HG LEU A 118 12.623 -0.170 -25.990 1.00 0.00 H new ATOM 0 HD11 LEU A 118 13.107 -2.001 -24.416 1.00 0.00 H new ATOM 0 HD12 LEU A 118 14.370 -0.748 -24.381 1.00 0.00 H new ATOM 0 HD13 LEU A 118 13.162 -0.831 -23.077 1.00 0.00 H new ATOM 0 HD21 LEU A 118 10.768 -1.402 -24.920 1.00 0.00 H new ATOM 0 HD22 LEU A 118 10.735 -0.201 -23.607 1.00 0.00 H new ATOM 0 HD23 LEU A 118 10.323 0.286 -25.269 1.00 0.00 H new ATOM 1785 N LEU A 119 14.473 0.553 -27.053 1.00 0.00 N ATOM 1786 CA LEU A 119 15.247 -0.458 -27.771 1.00 0.00 C ATOM 1787 C LEU A 119 16.560 0.121 -28.300 1.00 0.00 C ATOM 1788 O LEU A 119 17.563 -0.585 -28.385 1.00 0.00 O ATOM 1789 CB LEU A 119 14.429 -1.040 -28.927 1.00 0.00 C ATOM 1790 CG LEU A 119 13.768 -2.387 -28.636 1.00 0.00 C ATOM 1791 CD1 LEU A 119 12.496 -2.550 -29.454 1.00 0.00 C ATOM 1792 CD2 LEU A 119 14.742 -3.520 -28.920 1.00 0.00 C ATOM 0 H LEU A 119 13.634 0.864 -27.543 1.00 0.00 H new ATOM 0 HA LEU A 119 15.484 -1.255 -27.067 1.00 0.00 H new ATOM 0 HB2 LEU A 119 13.654 -0.324 -29.201 1.00 0.00 H new ATOM 0 HB3 LEU A 119 15.081 -1.152 -29.793 1.00 0.00 H new ATOM 0 HG LEU A 119 13.495 -2.421 -27.581 1.00 0.00 H new ATOM 0 HD11 LEU A 119 12.042 -3.515 -29.232 1.00 0.00 H new ATOM 0 HD12 LEU A 119 11.797 -1.753 -29.202 1.00 0.00 H new ATOM 0 HD13 LEU A 119 12.737 -2.498 -30.516 1.00 0.00 H new ATOM 0 HD21 LEU A 119 14.261 -4.475 -28.709 1.00 0.00 H new ATOM 0 HD22 LEU A 119 15.042 -3.488 -29.967 1.00 0.00 H new ATOM 0 HD23 LEU A 119 15.623 -3.410 -28.287 1.00 0.00 H new ATOM 1804 N LYS A 120 16.548 1.411 -28.647 1.00 0.00 N ATOM 1805 CA LYS A 120 17.745 2.082 -29.157 1.00 0.00 C ATOM 1806 C LYS A 120 18.858 2.071 -28.107 1.00 0.00 C ATOM 1807 O LYS A 120 20.027 1.852 -28.435 1.00 0.00 O ATOM 1808 CB LYS A 120 17.417 3.524 -29.563 1.00 0.00 C ATOM 1809 CG LYS A 120 18.568 4.243 -30.255 1.00 0.00 C ATOM 1810 CD LYS A 120 19.268 5.214 -29.316 1.00 0.00 C ATOM 1811 CE LYS A 120 20.554 5.749 -29.927 1.00 0.00 C ATOM 1812 NZ LYS A 120 21.180 6.803 -29.079 1.00 0.00 N ATOM 0 H LYS A 120 15.724 2.010 -28.584 1.00 0.00 H new ATOM 0 HA LYS A 120 18.092 1.540 -30.036 1.00 0.00 H new ATOM 0 HB2 LYS A 120 16.553 3.517 -30.227 1.00 0.00 H new ATOM 0 HB3 LYS A 120 17.131 4.086 -28.674 1.00 0.00 H new ATOM 0 HG2 LYS A 120 19.286 3.511 -30.623 1.00 0.00 H new ATOM 0 HG3 LYS A 120 18.191 4.784 -31.123 1.00 0.00 H new ATOM 0 HD2 LYS A 120 18.600 6.044 -29.085 1.00 0.00 H new ATOM 0 HD3 LYS A 120 19.492 4.714 -28.374 1.00 0.00 H new ATOM 0 HE2 LYS A 120 21.259 4.929 -30.064 1.00 0.00 H new ATOM 0 HE3 LYS A 120 20.343 6.157 -30.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 22.053 7.140 -29.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 20.519 7.598 -28.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 21.406 6.408 -28.144 1.00 0.00 H new ATOM 1826 N GLY A 121 18.485 2.302 -26.844 1.00 0.00 N ATOM 1827 CA GLY A 121 19.455 2.311 -25.761 1.00 0.00 C ATOM 1828 C GLY A 121 19.926 0.917 -25.376 1.00 0.00 C ATOM 1829 O GLY A 121 21.126 0.692 -25.210 1.00 0.00 O ATOM 0 H GLY A 121 17.524 2.483 -26.555 1.00 0.00 H new ATOM 0 HA2 GLY A 121 20.316 2.911 -26.056 1.00 0.00 H new ATOM 0 HA3 GLY A 121 19.014 2.794 -24.889 1.00 0.00 H new ATOM 1833 N VAL A 122 18.983 -0.018 -25.229 1.00 0.00 N ATOM 1834 CA VAL A 122 19.313 -1.393 -24.856 1.00 0.00 C ATOM 1835 C VAL A 122 19.675 -2.226 -26.086 1.00 0.00 C ATOM 1836 O VAL A 122 18.855 -2.396 -26.988 1.00 0.00 O ATOM 1837 CB VAL A 122 18.143 -2.080 -24.118 1.00 0.00 C ATOM 1838 CG1 VAL A 122 18.578 -3.428 -23.564 1.00 0.00 C ATOM 1839 CG2 VAL A 122 17.604 -1.191 -23.006 1.00 0.00 C ATOM 0 H VAL A 122 17.986 0.154 -25.363 1.00 0.00 H new ATOM 0 HA VAL A 122 20.172 -1.336 -24.187 1.00 0.00 H new ATOM 0 HB VAL A 122 17.340 -2.246 -24.836 1.00 0.00 H new ATOM 0 HG11 VAL A 122 17.740 -3.897 -23.048 1.00 0.00 H new ATOM 0 HG12 VAL A 122 18.904 -4.070 -24.382 1.00 0.00 H new ATOM 0 HG13 VAL A 122 19.401 -3.285 -22.864 1.00 0.00 H new ATOM 0 HG21 VAL A 122 16.781 -1.698 -22.502 1.00 0.00 H new ATOM 0 HG22 VAL A 122 18.398 -0.985 -22.288 1.00 0.00 H new ATOM 0 HG23 VAL A 122 17.247 -0.253 -23.431 1.00 0.00 H new ATOM 1849 N PRO A 123 20.913 -2.762 -26.140 1.00 0.00 N ATOM 1850 CA PRO A 123 21.370 -3.583 -27.268 1.00 0.00 C ATOM 1851 C PRO A 123 20.789 -5.003 -27.237 1.00 0.00 C ATOM 1852 O PRO A 123 21.521 -5.986 -27.097 1.00 0.00 O ATOM 1853 CB PRO A 123 22.885 -3.600 -27.085 1.00 0.00 C ATOM 1854 CG PRO A 123 23.091 -3.467 -25.615 1.00 0.00 C ATOM 1855 CD PRO A 123 21.959 -2.615 -25.106 1.00 0.00 C ATOM 0 HA PRO A 123 21.049 -3.183 -28.230 1.00 0.00 H new ATOM 0 HB2 PRO A 123 23.319 -4.526 -27.463 1.00 0.00 H new ATOM 0 HB3 PRO A 123 23.358 -2.781 -27.627 1.00 0.00 H new ATOM 0 HG2 PRO A 123 23.090 -4.444 -25.132 1.00 0.00 H new ATOM 0 HG3 PRO A 123 24.054 -3.005 -25.397 1.00 0.00 H new ATOM 0 HD2 PRO A 123 21.609 -2.956 -24.132 1.00 0.00 H new ATOM 0 HD3 PRO A 123 22.263 -1.575 -24.989 1.00 0.00 H new ATOM 1863 N VAL A 124 19.462 -5.095 -27.365 1.00 0.00 N ATOM 1864 CA VAL A 124 18.764 -6.381 -27.351 1.00 0.00 C ATOM 1865 C VAL A 124 17.793 -6.499 -28.531 1.00 0.00 C ATOM 1866 O VAL A 124 17.727 -5.609 -29.383 1.00 0.00 O ATOM 1867 CB VAL A 124 17.989 -6.582 -26.027 1.00 0.00 C ATOM 1868 CG1 VAL A 124 18.948 -6.717 -24.854 1.00 0.00 C ATOM 1869 CG2 VAL A 124 17.009 -5.439 -25.792 1.00 0.00 C ATOM 0 H VAL A 124 18.848 -4.289 -27.480 1.00 0.00 H new ATOM 0 HA VAL A 124 19.524 -7.158 -27.439 1.00 0.00 H new ATOM 0 HB VAL A 124 17.418 -7.507 -26.108 1.00 0.00 H new ATOM 0 HG11 VAL A 124 18.380 -6.857 -23.934 1.00 0.00 H new ATOM 0 HG12 VAL A 124 19.599 -7.577 -25.013 1.00 0.00 H new ATOM 0 HG13 VAL A 124 19.553 -5.814 -24.773 1.00 0.00 H new ATOM 0 HG21 VAL A 124 16.476 -5.603 -24.855 1.00 0.00 H new ATOM 0 HG22 VAL A 124 17.555 -4.497 -25.739 1.00 0.00 H new ATOM 0 HG23 VAL A 124 16.294 -5.398 -26.614 1.00 0.00 H new ATOM 1879 N LYS A 125 17.038 -7.601 -28.572 1.00 0.00 N ATOM 1880 CA LYS A 125 16.067 -7.834 -29.640 1.00 0.00 C ATOM 1881 C LYS A 125 14.655 -7.943 -29.068 1.00 0.00 C ATOM 1882 O LYS A 125 14.411 -8.712 -28.135 1.00 0.00 O ATOM 1883 CB LYS A 125 16.424 -9.106 -30.417 1.00 0.00 C ATOM 1884 CG LYS A 125 17.415 -8.871 -31.548 1.00 0.00 C ATOM 1885 CD LYS A 125 17.970 -10.181 -32.090 1.00 0.00 C ATOM 1886 CE LYS A 125 17.166 -10.682 -33.283 1.00 0.00 C ATOM 1887 NZ LYS A 125 17.536 -9.980 -34.544 1.00 0.00 N ATOM 0 H LYS A 125 17.082 -8.345 -27.876 1.00 0.00 H new ATOM 0 HA LYS A 125 16.098 -6.986 -30.324 1.00 0.00 H new ATOM 0 HB2 LYS A 125 16.841 -9.839 -29.726 1.00 0.00 H new ATOM 0 HB3 LYS A 125 15.512 -9.539 -30.828 1.00 0.00 H new ATOM 0 HG2 LYS A 125 16.926 -8.322 -32.353 1.00 0.00 H new ATOM 0 HG3 LYS A 125 18.235 -8.248 -31.190 1.00 0.00 H new ATOM 0 HD2 LYS A 125 19.010 -10.042 -32.385 1.00 0.00 H new ATOM 0 HD3 LYS A 125 17.960 -10.934 -31.302 1.00 0.00 H new ATOM 0 HE2 LYS A 125 17.328 -11.753 -33.404 1.00 0.00 H new ATOM 0 HE3 LYS A 125 16.103 -10.540 -33.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 16.965 -10.352 -35.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 17.358 -8.961 -34.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 18.544 -10.136 -34.745 1.00 0.00 H new ATOM 1901 N ASP A 126 13.735 -7.143 -29.624 1.00 0.00 N ATOM 1902 CA ASP A 126 12.337 -7.111 -29.174 1.00 0.00 C ATOM 1903 C ASP A 126 12.191 -6.419 -27.811 1.00 0.00 C ATOM 1904 O ASP A 126 11.105 -6.413 -27.234 1.00 0.00 O ATOM 1905 CB ASP A 126 11.746 -8.526 -29.104 1.00 0.00 C ATOM 1906 CG ASP A 126 10.238 -8.536 -29.288 1.00 0.00 C ATOM 1907 OD1 ASP A 126 9.779 -8.466 -30.448 1.00 0.00 O ATOM 1908 OD2 ASP A 126 9.514 -8.611 -28.271 1.00 0.00 O ATOM 0 H ASP A 126 13.937 -6.504 -30.393 1.00 0.00 H new ATOM 0 HA ASP A 126 11.782 -6.531 -29.912 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.207 -9.147 -29.872 1.00 0.00 H new ATOM 0 HB3 ASP A 126 11.994 -8.973 -28.141 1.00 0.00 H new ATOM 1913 N GLY A 127 13.280 -5.831 -27.299 1.00 0.00 N ATOM 1914 CA GLY A 127 13.230 -5.151 -26.017 1.00 0.00 C ATOM 1915 C GLY A 127 13.135 -6.109 -24.843 1.00 0.00 C ATOM 1916 O GLY A 127 12.237 -5.984 -24.011 1.00 0.00 O ATOM 0 H GLY A 127 14.193 -5.817 -27.754 1.00 0.00 H new ATOM 0 HA2 GLY A 127 14.121 -4.533 -25.904 1.00 0.00 H new ATOM 0 HA3 GLY A 127 12.372 -4.479 -26.001 1.00 0.00 H new ATOM 1920 N MET A 128 14.063 -7.065 -24.771 1.00 0.00 N ATOM 1921 CA MET A 128 14.071 -8.040 -23.685 1.00 0.00 C ATOM 1922 C MET A 128 15.162 -7.712 -22.669 1.00 0.00 C ATOM 1923 O MET A 128 16.354 -7.718 -22.989 1.00 0.00 O ATOM 1924 CB MET A 128 14.231 -9.466 -24.247 1.00 0.00 C ATOM 1925 CG MET A 128 15.185 -10.361 -23.463 1.00 0.00 C ATOM 1926 SD MET A 128 15.429 -11.965 -24.247 1.00 0.00 S ATOM 1927 CE MET A 128 16.742 -11.578 -25.402 1.00 0.00 C ATOM 0 H MET A 128 14.815 -7.183 -25.450 1.00 0.00 H new ATOM 0 HA MET A 128 13.115 -7.990 -23.164 1.00 0.00 H new ATOM 0 HB2 MET A 128 13.251 -9.942 -24.276 1.00 0.00 H new ATOM 0 HB3 MET A 128 14.583 -9.398 -25.276 1.00 0.00 H new ATOM 0 HG2 MET A 128 16.148 -9.860 -23.362 1.00 0.00 H new ATOM 0 HG3 MET A 128 14.795 -10.508 -22.456 1.00 0.00 H new ATOM 0 HE1 MET A 128 17.007 -12.473 -25.965 1.00 0.00 H new ATOM 0 HE2 MET A 128 16.405 -10.803 -26.090 1.00 0.00 H new ATOM 0 HE3 MET A 128 17.615 -11.223 -24.855 1.00 0.00 H new ATOM 1937 N VAL A 129 14.733 -7.418 -21.444 1.00 0.00 N ATOM 1938 CA VAL A 129 15.648 -7.082 -20.357 1.00 0.00 C ATOM 1939 C VAL A 129 15.156 -7.671 -19.025 1.00 0.00 C ATOM 1940 O VAL A 129 15.405 -7.114 -17.952 1.00 0.00 O ATOM 1941 CB VAL A 129 15.808 -5.550 -20.227 1.00 0.00 C ATOM 1942 CG1 VAL A 129 16.850 -5.197 -19.176 1.00 0.00 C ATOM 1943 CG2 VAL A 129 16.174 -4.926 -21.568 1.00 0.00 C ATOM 0 H VAL A 129 13.748 -7.406 -21.178 1.00 0.00 H new ATOM 0 HA VAL A 129 16.619 -7.517 -20.594 1.00 0.00 H new ATOM 0 HB VAL A 129 14.849 -5.142 -19.908 1.00 0.00 H new ATOM 0 HG11 VAL A 129 16.943 -4.113 -19.105 1.00 0.00 H new ATOM 0 HG12 VAL A 129 16.543 -5.599 -18.210 1.00 0.00 H new ATOM 0 HG13 VAL A 129 17.812 -5.625 -19.459 1.00 0.00 H new ATOM 0 HG21 VAL A 129 16.281 -3.848 -21.450 1.00 0.00 H new ATOM 0 HG22 VAL A 129 17.115 -5.348 -21.921 1.00 0.00 H new ATOM 0 HG23 VAL A 129 15.388 -5.136 -22.293 1.00 0.00 H new ATOM 1953 N ASN A 130 14.454 -8.809 -19.104 1.00 0.00 N ATOM 1954 CA ASN A 130 13.925 -9.485 -17.913 1.00 0.00 C ATOM 1955 C ASN A 130 12.927 -8.602 -17.147 1.00 0.00 C ATOM 1956 O ASN A 130 12.662 -8.846 -15.967 1.00 0.00 O ATOM 1957 CB ASN A 130 15.088 -9.874 -16.988 1.00 0.00 C ATOM 1958 CG ASN A 130 14.674 -10.826 -15.879 1.00 0.00 C ATOM 1959 OD1 ASN A 130 14.274 -11.958 -16.137 1.00 0.00 O ATOM 1960 ND2 ASN A 130 14.769 -10.368 -14.634 1.00 0.00 N ATOM 0 H ASN A 130 14.239 -9.281 -19.982 1.00 0.00 H new ATOM 0 HA ASN A 130 13.391 -10.376 -18.243 1.00 0.00 H new ATOM 0 HB2 ASN A 130 15.877 -10.337 -17.581 1.00 0.00 H new ATOM 0 HB3 ASN A 130 15.510 -8.972 -16.546 1.00 0.00 H new ATOM 0 HD21 ASN A 130 14.504 -10.964 -13.850 1.00 0.00 H new ATOM 0 HD22 ASN A 130 15.106 -9.421 -14.463 1.00 0.00 H new ATOM 1967 N TYR A 131 12.379 -7.573 -17.811 1.00 0.00 N ATOM 1968 CA TYR A 131 11.432 -6.658 -17.170 1.00 0.00 C ATOM 1969 C TYR A 131 12.058 -6.031 -15.916 1.00 0.00 C ATOM 1970 O TYR A 131 13.233 -6.267 -15.620 1.00 0.00 O ATOM 1971 CB TYR A 131 10.129 -7.394 -16.818 1.00 0.00 C ATOM 1972 CG TYR A 131 8.910 -6.495 -16.790 1.00 0.00 C ATOM 1973 CD1 TYR A 131 8.771 -5.450 -17.696 1.00 0.00 C ATOM 1974 CD2 TYR A 131 7.905 -6.683 -15.850 1.00 0.00 C ATOM 1975 CE1 TYR A 131 7.667 -4.622 -17.669 1.00 0.00 C ATOM 1976 CE2 TYR A 131 6.795 -5.860 -15.818 1.00 0.00 C ATOM 1977 CZ TYR A 131 6.682 -4.831 -16.728 1.00 0.00 C ATOM 1978 OH TYR A 131 5.581 -4.007 -16.697 1.00 0.00 O ATOM 0 H TYR A 131 12.577 -7.357 -18.788 1.00 0.00 H new ATOM 0 HA TYR A 131 11.194 -5.857 -17.870 1.00 0.00 H new ATOM 0 HB2 TYR A 131 9.965 -8.191 -17.543 1.00 0.00 H new ATOM 0 HB3 TYR A 131 10.242 -7.868 -15.843 1.00 0.00 H new ATOM 0 HD1 TYR A 131 9.541 -5.283 -18.435 1.00 0.00 H new ATOM 0 HD2 TYR A 131 7.992 -7.485 -15.132 1.00 0.00 H new ATOM 0 HE1 TYR A 131 7.576 -3.815 -18.381 1.00 0.00 H new ATOM 0 HE2 TYR A 131 6.020 -6.022 -15.084 1.00 0.00 H new ATOM 0 HH TYR A 131 4.935 -4.299 -17.373 1.00 0.00 H new ATOM 1988 N HIS A 132 11.279 -5.222 -15.187 1.00 0.00 N ATOM 1989 CA HIS A 132 11.758 -4.557 -13.969 1.00 0.00 C ATOM 1990 C HIS A 132 12.690 -3.388 -14.293 1.00 0.00 C ATOM 1991 O HIS A 132 12.479 -2.283 -13.804 1.00 0.00 O ATOM 1992 CB HIS A 132 12.460 -5.553 -13.035 1.00 0.00 C ATOM 1993 CG HIS A 132 11.944 -5.519 -11.629 1.00 0.00 C ATOM 1994 ND1 HIS A 132 11.265 -6.585 -11.091 1.00 0.00 N ATOM 1995 CD2 HIS A 132 12.033 -4.536 -10.700 1.00 0.00 C ATOM 1996 CE1 HIS A 132 10.956 -6.232 -9.857 1.00 0.00 C ATOM 1997 NE2 HIS A 132 11.401 -4.998 -9.574 1.00 0.00 N ATOM 0 H HIS A 132 10.309 -5.011 -15.422 1.00 0.00 H new ATOM 0 HA HIS A 132 10.883 -4.158 -13.457 1.00 0.00 H new ATOM 0 HB2 HIS A 132 12.339 -6.560 -13.434 1.00 0.00 H new ATOM 0 HB3 HIS A 132 13.529 -5.340 -13.027 1.00 0.00 H new ATOM 0 HD2 HIS A 132 12.510 -3.575 -10.823 1.00 0.00 H new ATOM 0 HE1 HIS A 132 10.414 -6.857 -9.163 1.00 0.00 H new ATOM 0 HE2 HIS A 132 11.290 -4.499 -8.691 1.00 0.00 H new ATOM 2005 N ASP A 133 13.721 -3.633 -15.111 1.00 0.00 N ATOM 2006 CA ASP A 133 14.679 -2.589 -15.492 1.00 0.00 C ATOM 2007 C ASP A 133 13.969 -1.351 -16.054 1.00 0.00 C ATOM 2008 O ASP A 133 14.289 -0.222 -15.677 1.00 0.00 O ATOM 2009 CB ASP A 133 15.668 -3.139 -16.528 1.00 0.00 C ATOM 2010 CG ASP A 133 16.719 -2.123 -16.934 1.00 0.00 C ATOM 2011 OD1 ASP A 133 17.677 -1.917 -16.160 1.00 0.00 O ATOM 2012 OD2 ASP A 133 16.585 -1.536 -18.029 1.00 0.00 O ATOM 0 H ASP A 133 13.913 -4.547 -15.522 1.00 0.00 H new ATOM 0 HA ASP A 133 15.220 -2.287 -14.595 1.00 0.00 H new ATOM 0 HB2 ASP A 133 16.161 -4.022 -16.120 1.00 0.00 H new ATOM 0 HB3 ASP A 133 15.119 -3.461 -17.413 1.00 0.00 H new ATOM 2017 N PHE A 134 13.001 -1.575 -16.949 1.00 0.00 N ATOM 2018 CA PHE A 134 12.237 -0.480 -17.557 1.00 0.00 C ATOM 2019 C PHE A 134 11.339 0.184 -16.516 1.00 0.00 C ATOM 2020 O PHE A 134 11.331 1.410 -16.376 1.00 0.00 O ATOM 2021 CB PHE A 134 11.370 -0.971 -18.731 1.00 0.00 C ATOM 2022 CG PHE A 134 11.942 -2.124 -19.513 1.00 0.00 C ATOM 2023 CD1 PHE A 134 12.949 -1.922 -20.444 1.00 0.00 C ATOM 2024 CD2 PHE A 134 11.455 -3.409 -19.328 1.00 0.00 C ATOM 2025 CE1 PHE A 134 13.459 -2.979 -21.174 1.00 0.00 C ATOM 2026 CE2 PHE A 134 11.965 -4.469 -20.053 1.00 0.00 C ATOM 2027 CZ PHE A 134 12.965 -4.254 -20.977 1.00 0.00 C ATOM 0 H PHE A 134 12.728 -2.504 -17.268 1.00 0.00 H new ATOM 0 HA PHE A 134 12.959 0.242 -17.939 1.00 0.00 H new ATOM 0 HB2 PHE A 134 10.394 -1.264 -18.343 1.00 0.00 H new ATOM 0 HB3 PHE A 134 11.204 -0.137 -19.413 1.00 0.00 H new ATOM 0 HD1 PHE A 134 13.339 -0.927 -20.601 1.00 0.00 H new ATOM 0 HD2 PHE A 134 10.668 -3.583 -18.609 1.00 0.00 H new ATOM 0 HE1 PHE A 134 14.243 -2.808 -21.897 1.00 0.00 H new ATOM 0 HE2 PHE A 134 11.580 -5.466 -19.896 1.00 0.00 H new ATOM 0 HZ PHE A 134 13.362 -5.081 -21.546 1.00 0.00 H new ATOM 2037 N VAL A 135 10.584 -0.645 -15.791 1.00 0.00 N ATOM 2038 CA VAL A 135 9.668 -0.169 -14.752 1.00 0.00 C ATOM 2039 C VAL A 135 10.422 0.553 -13.629 1.00 0.00 C ATOM 2040 O VAL A 135 9.892 1.480 -13.013 1.00 0.00 O ATOM 2041 CB VAL A 135 8.850 -1.332 -14.137 1.00 0.00 C ATOM 2042 CG1 VAL A 135 7.665 -0.797 -13.345 1.00 0.00 C ATOM 2043 CG2 VAL A 135 8.379 -2.305 -15.214 1.00 0.00 C ATOM 0 H VAL A 135 10.590 -1.658 -15.906 1.00 0.00 H new ATOM 0 HA VAL A 135 8.987 0.530 -15.237 1.00 0.00 H new ATOM 0 HB VAL A 135 9.504 -1.876 -13.455 1.00 0.00 H new ATOM 0 HG11 VAL A 135 7.104 -1.630 -12.922 1.00 0.00 H new ATOM 0 HG12 VAL A 135 8.025 -0.156 -12.540 1.00 0.00 H new ATOM 0 HG13 VAL A 135 7.016 -0.221 -14.005 1.00 0.00 H new ATOM 0 HG21 VAL A 135 7.808 -3.110 -14.752 1.00 0.00 H new ATOM 0 HG22 VAL A 135 7.749 -1.778 -15.930 1.00 0.00 H new ATOM 0 HG23 VAL A 135 9.243 -2.723 -15.730 1.00 0.00 H new ATOM 2053 N GLN A 136 11.658 0.120 -13.372 1.00 0.00 N ATOM 2054 CA GLN A 136 12.492 0.714 -12.326 1.00 0.00 C ATOM 2055 C GLN A 136 12.855 2.156 -12.672 1.00 0.00 C ATOM 2056 O GLN A 136 12.667 3.064 -11.859 1.00 0.00 O ATOM 2057 CB GLN A 136 13.767 -0.116 -12.126 1.00 0.00 C ATOM 2058 CG GLN A 136 14.704 0.439 -11.063 1.00 0.00 C ATOM 2059 CD GLN A 136 14.714 -0.395 -9.793 1.00 0.00 C ATOM 2060 OE1 GLN A 136 13.661 -0.737 -9.254 1.00 0.00 O ATOM 2061 NE2 GLN A 136 15.906 -0.726 -9.307 1.00 0.00 N ATOM 0 H GLN A 136 12.105 -0.645 -13.878 1.00 0.00 H new ATOM 0 HA GLN A 136 11.921 0.717 -11.398 1.00 0.00 H new ATOM 0 HB2 GLN A 136 13.487 -1.134 -11.854 1.00 0.00 H new ATOM 0 HB3 GLN A 136 14.303 -0.175 -13.073 1.00 0.00 H new ATOM 0 HG2 GLN A 136 15.715 0.489 -11.467 1.00 0.00 H new ATOM 0 HG3 GLN A 136 14.407 1.459 -10.820 1.00 0.00 H new ATOM 0 HE21 GLN A 136 16.754 -0.422 -9.785 1.00 0.00 H new ATOM 0 HE22 GLN A 136 15.973 -1.284 -8.456 1.00 0.00 H new ATOM 2070 N MET A 137 13.369 2.357 -13.887 1.00 0.00 N ATOM 2071 CA MET A 137 13.755 3.687 -14.353 1.00 0.00 C ATOM 2072 C MET A 137 12.541 4.619 -14.408 1.00 0.00 C ATOM 2073 O MET A 137 12.652 5.808 -14.113 1.00 0.00 O ATOM 2074 CB MET A 137 14.413 3.590 -15.733 1.00 0.00 C ATOM 2075 CG MET A 137 15.115 4.866 -16.172 1.00 0.00 C ATOM 2076 SD MET A 137 15.048 5.115 -17.956 1.00 0.00 S ATOM 2077 CE MET A 137 16.418 6.243 -18.194 1.00 0.00 C ATOM 0 H MET A 137 13.527 1.613 -14.566 1.00 0.00 H new ATOM 0 HA MET A 137 14.472 4.104 -13.646 1.00 0.00 H new ATOM 0 HB2 MET A 137 15.136 2.774 -15.724 1.00 0.00 H new ATOM 0 HB3 MET A 137 13.652 3.333 -16.470 1.00 0.00 H new ATOM 0 HG2 MET A 137 14.656 5.719 -15.672 1.00 0.00 H new ATOM 0 HG3 MET A 137 16.157 4.832 -15.852 1.00 0.00 H new ATOM 0 HE1 MET A 137 16.505 6.491 -19.252 1.00 0.00 H new ATOM 0 HE2 MET A 137 16.244 7.153 -17.621 1.00 0.00 H new ATOM 0 HE3 MET A 137 17.340 5.772 -17.855 1.00 0.00 H new