USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 830 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0999) USER MOD Single : A 2 MET CE :methyl -138:sc= -0.0019 (180deg=-0.518) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -160:sc=-0.00696 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0416 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -150:sc= -1 (180deg=-1.77) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 112:sc= -2.13! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= 1.3 (180deg=1.15) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 57 LYS NZ :NH3+ -169:sc= 1.15 (180deg=1.05) USER MOD Single : A 58 GLN : amide:sc= -0.0346 X(o=-0.035,f=-0.035) USER MOD Single : A 59 THR OG1 : rot 136:sc= 1.3 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.486 K(o=0.49,f=-0.85) USER MOD Single : A 69 SER OG : rot 72:sc= 1.22 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.0419 X(o=-0.042,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -140:sc= 0.689 (180deg=0.107) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 167:sc= 0.312 (180deg=0.193) USER MOD Single : A 90 TYR OH : rot 180:sc= 0.23 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc=-0.000763 X(o=-0.00076,f=-0.011) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.24) USER MOD Single : A 101 HIS : no HD1:sc=-0.00269 X(o=-0.0027,f=-0.0027) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.231 6.004 -24.213 1.00 0.00 N ATOM 2 CA MET A 1 12.336 7.012 -23.136 1.00 0.00 C ATOM 3 C MET A 1 12.207 6.352 -21.770 1.00 0.00 C ATOM 4 O MET A 1 11.237 5.642 -21.500 1.00 0.00 O ATOM 5 CB MET A 1 11.251 8.084 -23.290 1.00 0.00 C ATOM 6 CG MET A 1 11.377 8.913 -24.557 1.00 0.00 C ATOM 7 SD MET A 1 10.088 10.165 -24.691 1.00 0.00 S ATOM 8 CE MET A 1 10.584 10.999 -26.194 1.00 0.00 C ATOM 0 H1 MET A 1 12.488 6.439 -25.122 1.00 0.00 H new ATOM 0 H2 MET A 1 12.876 5.213 -24.013 1.00 0.00 H new ATOM 0 H3 MET A 1 11.254 5.650 -24.263 1.00 0.00 H new ATOM 0 HA MET A 1 13.316 7.484 -23.214 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.274 7.601 -23.280 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.287 8.749 -22.427 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.353 9.397 -24.575 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.332 8.255 -25.425 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.882 11.804 -26.412 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.584 11.414 -26.067 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.589 10.288 -27.020 1.00 0.00 H new ATOM 20 N MET A 2 13.197 6.571 -20.917 1.00 0.00 N ATOM 21 CA MET A 2 13.173 6.034 -19.564 1.00 0.00 C ATOM 22 C MET A 2 14.026 6.893 -18.639 1.00 0.00 C ATOM 23 O MET A 2 15.241 6.991 -18.811 1.00 0.00 O ATOM 24 CB MET A 2 13.672 4.586 -19.543 1.00 0.00 C ATOM 25 CG MET A 2 13.632 3.951 -18.161 1.00 0.00 C ATOM 26 SD MET A 2 14.175 2.234 -18.171 1.00 0.00 S ATOM 27 CE MET A 2 13.986 1.813 -16.442 1.00 0.00 C ATOM 0 H MET A 2 14.029 7.118 -21.138 1.00 0.00 H new ATOM 0 HA MET A 2 12.142 6.048 -19.211 1.00 0.00 H new ATOM 0 HB2 MET A 2 13.065 3.991 -20.225 1.00 0.00 H new ATOM 0 HB3 MET A 2 14.695 4.557 -19.918 1.00 0.00 H new ATOM 0 HG2 MET A 2 14.265 4.524 -17.484 1.00 0.00 H new ATOM 0 HG3 MET A 2 12.616 4.004 -17.770 1.00 0.00 H new ATOM 0 HE1 MET A 2 14.843 1.224 -16.115 1.00 0.00 H new ATOM 0 HE2 MET A 2 13.926 2.726 -15.850 1.00 0.00 H new ATOM 0 HE3 MET A 2 13.074 1.232 -16.307 1.00 0.00 H new ATOM 37 N PHE A 3 13.382 7.519 -17.667 1.00 0.00 N ATOM 38 CA PHE A 3 14.080 8.360 -16.707 1.00 0.00 C ATOM 39 C PHE A 3 14.430 7.558 -15.460 1.00 0.00 C ATOM 40 O PHE A 3 13.662 7.508 -14.502 1.00 0.00 O ATOM 41 CB PHE A 3 13.224 9.573 -16.336 1.00 0.00 C ATOM 42 CG PHE A 3 12.883 10.445 -17.512 1.00 0.00 C ATOM 43 CD1 PHE A 3 13.861 11.214 -18.124 1.00 0.00 C ATOM 44 CD2 PHE A 3 11.589 10.497 -18.004 1.00 0.00 C ATOM 45 CE1 PHE A 3 13.552 12.018 -19.207 1.00 0.00 C ATOM 46 CE2 PHE A 3 11.274 11.299 -19.085 1.00 0.00 C ATOM 47 CZ PHE A 3 12.259 12.061 -19.688 1.00 0.00 C ATOM 0 H PHE A 3 12.374 7.460 -17.522 1.00 0.00 H new ATOM 0 HA PHE A 3 15.003 8.716 -17.164 1.00 0.00 H new ATOM 0 HB2 PHE A 3 12.301 9.228 -15.869 1.00 0.00 H new ATOM 0 HB3 PHE A 3 13.754 10.169 -15.593 1.00 0.00 H new ATOM 0 HD1 PHE A 3 14.874 11.185 -17.752 1.00 0.00 H new ATOM 0 HD2 PHE A 3 10.817 9.904 -17.537 1.00 0.00 H new ATOM 0 HE1 PHE A 3 14.323 12.612 -19.676 1.00 0.00 H new ATOM 0 HE2 PHE A 3 10.261 11.331 -19.458 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.017 12.688 -20.533 1.00 0.00 H new ATOM 57 N LEU A 4 15.579 6.898 -15.503 1.00 0.00 N ATOM 58 CA LEU A 4 16.027 6.062 -14.399 1.00 0.00 C ATOM 59 C LEU A 4 17.176 6.733 -13.659 1.00 0.00 C ATOM 60 O LEU A 4 17.154 6.859 -12.436 1.00 0.00 O ATOM 61 CB LEU A 4 16.475 4.695 -14.924 1.00 0.00 C ATOM 62 CG LEU A 4 16.943 3.702 -13.857 1.00 0.00 C ATOM 63 CD1 LEU A 4 15.788 3.303 -12.951 1.00 0.00 C ATOM 64 CD2 LEU A 4 17.554 2.474 -14.510 1.00 0.00 C ATOM 0 H LEU A 4 16.221 6.926 -16.295 1.00 0.00 H new ATOM 0 HA LEU A 4 15.196 5.924 -13.707 1.00 0.00 H new ATOM 0 HB2 LEU A 4 15.648 4.247 -15.474 1.00 0.00 H new ATOM 0 HB3 LEU A 4 17.286 4.846 -15.636 1.00 0.00 H new ATOM 0 HG LEU A 4 17.705 4.187 -13.246 1.00 0.00 H new ATOM 0 HD11 LEU A 4 16.142 2.597 -12.200 1.00 0.00 H new ATOM 0 HD12 LEU A 4 15.390 4.189 -12.457 1.00 0.00 H new ATOM 0 HD13 LEU A 4 15.003 2.836 -13.546 1.00 0.00 H new ATOM 0 HD21 LEU A 4 17.882 1.777 -13.739 1.00 0.00 H new ATOM 0 HD22 LEU A 4 16.810 1.991 -15.143 1.00 0.00 H new ATOM 0 HD23 LEU A 4 18.409 2.772 -15.117 1.00 0.00 H new ATOM 76 N ARG A 5 18.170 7.179 -14.418 1.00 0.00 N ATOM 77 CA ARG A 5 19.358 7.808 -13.844 1.00 0.00 C ATOM 78 C ARG A 5 19.090 9.276 -13.527 1.00 0.00 C ATOM 79 O ARG A 5 19.964 9.991 -13.036 1.00 0.00 O ATOM 80 CB ARG A 5 20.535 7.671 -14.809 1.00 0.00 C ATOM 81 CG ARG A 5 20.906 6.223 -15.083 1.00 0.00 C ATOM 82 CD ARG A 5 21.804 6.083 -16.301 1.00 0.00 C ATOM 83 NE ARG A 5 23.144 6.635 -16.104 1.00 0.00 N ATOM 84 CZ ARG A 5 24.181 6.350 -16.894 1.00 0.00 C ATOM 85 NH1 ARG A 5 24.025 5.558 -17.952 1.00 0.00 N ATOM 86 NH2 ARG A 5 25.371 6.872 -16.634 1.00 0.00 N ATOM 0 H ARG A 5 18.178 7.117 -15.436 1.00 0.00 H new ATOM 0 HA ARG A 5 19.607 7.303 -12.911 1.00 0.00 H new ATOM 0 HB2 ARG A 5 20.287 8.162 -15.750 1.00 0.00 H new ATOM 0 HB3 ARG A 5 21.400 8.191 -14.397 1.00 0.00 H new ATOM 0 HG2 ARG A 5 21.411 5.808 -14.211 1.00 0.00 H new ATOM 0 HG3 ARG A 5 19.998 5.639 -15.234 1.00 0.00 H new ATOM 0 HD2 ARG A 5 21.889 5.028 -16.561 1.00 0.00 H new ATOM 0 HD3 ARG A 5 21.335 6.583 -17.148 1.00 0.00 H new ATOM 0 HE ARG A 5 23.294 7.272 -15.321 1.00 0.00 H new ATOM 0 HH11 ARG A 5 23.108 5.164 -18.164 1.00 0.00 H new ATOM 0 HH12 ARG A 5 24.822 5.345 -18.551 1.00 0.00 H new ATOM 0 HH21 ARG A 5 25.493 7.490 -15.832 1.00 0.00 H new ATOM 0 HH22 ARG A 5 26.165 6.656 -17.236 1.00 0.00 H new ATOM 100 N LYS A 6 17.870 9.709 -13.811 1.00 0.00 N ATOM 101 CA LYS A 6 17.430 11.061 -13.518 1.00 0.00 C ATOM 102 C LYS A 6 15.912 11.099 -13.564 1.00 0.00 C ATOM 103 O LYS A 6 15.318 11.055 -14.637 1.00 0.00 O ATOM 104 CB LYS A 6 18.014 12.075 -14.510 1.00 0.00 C ATOM 105 CG LYS A 6 17.625 13.515 -14.197 1.00 0.00 C ATOM 106 CD LYS A 6 18.194 14.495 -15.210 1.00 0.00 C ATOM 107 CE LYS A 6 19.713 14.476 -15.216 1.00 0.00 C ATOM 108 NZ LYS A 6 20.273 15.536 -16.092 1.00 0.00 N ATOM 0 H LYS A 6 17.157 9.129 -14.253 1.00 0.00 H new ATOM 0 HA LYS A 6 17.786 11.338 -12.526 1.00 0.00 H new ATOM 0 HB2 LYS A 6 19.101 11.991 -14.508 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.677 11.825 -15.516 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.539 13.601 -14.181 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.980 13.777 -13.200 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.823 14.247 -16.204 1.00 0.00 H new ATOM 0 HD3 LYS A 6 17.843 15.501 -14.980 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.082 14.611 -14.199 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.063 13.501 -15.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.312 15.491 -16.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.941 15.392 -17.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.959 16.468 -15.753 1.00 0.00 H new ATOM 122 N VAL A 7 15.291 11.156 -12.403 1.00 0.00 N ATOM 123 CA VAL A 7 13.842 11.099 -12.313 1.00 0.00 C ATOM 124 C VAL A 7 13.302 12.399 -11.703 1.00 0.00 C ATOM 125 O VAL A 7 12.320 12.419 -10.957 1.00 0.00 O ATOM 126 CB VAL A 7 13.407 9.852 -11.501 1.00 0.00 C ATOM 127 CG1 VAL A 7 13.737 9.993 -10.023 1.00 0.00 C ATOM 128 CG2 VAL A 7 11.935 9.548 -11.720 1.00 0.00 C ATOM 0 H VAL A 7 15.767 11.242 -11.505 1.00 0.00 H new ATOM 0 HA VAL A 7 13.418 11.003 -13.313 1.00 0.00 H new ATOM 0 HB VAL A 7 13.982 9.003 -11.871 1.00 0.00 H new ATOM 0 HG11 VAL A 7 13.415 9.097 -9.491 1.00 0.00 H new ATOM 0 HG12 VAL A 7 14.813 10.121 -9.901 1.00 0.00 H new ATOM 0 HG13 VAL A 7 13.220 10.862 -9.616 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.655 8.669 -11.140 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.336 10.400 -11.400 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.757 9.356 -12.778 1.00 0.00 H new ATOM 138 N GLU A 8 13.939 13.501 -12.081 1.00 0.00 N ATOM 139 CA GLU A 8 13.602 14.818 -11.548 1.00 0.00 C ATOM 140 C GLU A 8 12.407 15.422 -12.292 1.00 0.00 C ATOM 141 O GLU A 8 12.037 16.575 -12.067 1.00 0.00 O ATOM 142 CB GLU A 8 14.810 15.756 -11.672 1.00 0.00 C ATOM 143 CG GLU A 8 16.107 15.172 -11.126 1.00 0.00 C ATOM 144 CD GLU A 8 16.058 14.900 -9.635 1.00 0.00 C ATOM 145 OE1 GLU A 8 16.372 15.818 -8.852 1.00 0.00 O ATOM 146 OE2 GLU A 8 15.721 13.763 -9.242 1.00 0.00 O ATOM 0 H GLU A 8 14.699 13.509 -12.761 1.00 0.00 H new ATOM 0 HA GLU A 8 13.334 14.701 -10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.952 16.011 -12.722 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.591 16.685 -11.145 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.329 14.243 -11.651 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.925 15.861 -11.337 1.00 0.00 H new ATOM 153 N GLY A 9 11.819 14.644 -13.189 1.00 0.00 N ATOM 154 CA GLY A 9 10.699 15.125 -13.976 1.00 0.00 C ATOM 155 C GLY A 9 9.366 14.508 -13.570 1.00 0.00 C ATOM 156 O GLY A 9 8.454 15.225 -13.155 1.00 0.00 O ATOM 0 H GLY A 9 12.098 13.683 -13.387 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.634 16.209 -13.878 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.885 14.910 -15.028 1.00 0.00 H new ATOM 160 N PRO A 10 9.213 13.176 -13.689 1.00 0.00 N ATOM 161 CA PRO A 10 7.951 12.498 -13.396 1.00 0.00 C ATOM 162 C PRO A 10 7.662 12.401 -11.899 1.00 0.00 C ATOM 163 O PRO A 10 8.534 12.040 -11.106 1.00 0.00 O ATOM 164 CB PRO A 10 8.133 11.089 -13.985 1.00 0.00 C ATOM 165 CG PRO A 10 9.433 11.112 -14.722 1.00 0.00 C ATOM 166 CD PRO A 10 10.241 12.221 -14.118 1.00 0.00 C ATOM 0 HA PRO A 10 7.109 13.047 -13.818 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.145 10.336 -13.197 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.310 10.837 -14.654 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.951 10.158 -14.627 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.273 11.283 -15.787 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.844 11.872 -13.280 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.926 12.662 -14.841 1.00 0.00 H new ATOM 174 N ARG A 11 6.436 12.736 -11.518 1.00 0.00 N ATOM 175 CA ARG A 11 5.987 12.546 -10.145 1.00 0.00 C ATOM 176 C ARG A 11 5.073 11.329 -10.065 1.00 0.00 C ATOM 177 O ARG A 11 3.847 11.464 -10.047 1.00 0.00 O ATOM 178 CB ARG A 11 5.247 13.778 -9.604 1.00 0.00 C ATOM 179 CG ARG A 11 6.143 14.946 -9.219 1.00 0.00 C ATOM 180 CD ARG A 11 6.717 15.659 -10.432 1.00 0.00 C ATOM 181 NE ARG A 11 7.340 16.928 -10.067 1.00 0.00 N ATOM 182 CZ ARG A 11 7.069 18.088 -10.666 1.00 0.00 C ATOM 183 NH1 ARG A 11 6.252 18.131 -11.712 1.00 0.00 N ATOM 184 NH2 ARG A 11 7.628 19.207 -10.229 1.00 0.00 N ATOM 0 H ARG A 11 5.736 13.140 -12.140 1.00 0.00 H new ATOM 0 HA ARG A 11 6.873 12.392 -9.529 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.537 14.117 -10.358 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.667 13.481 -8.730 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.573 15.656 -8.620 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.959 14.584 -8.594 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.454 15.018 -10.916 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.924 15.838 -11.158 1.00 0.00 H new ATOM 0 HE ARG A 11 8.023 16.927 -9.309 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.827 17.273 -12.063 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.050 19.022 -12.165 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.266 19.181 -9.434 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.420 20.094 -10.688 1.00 0.00 H new ATOM 198 N SER A 12 5.672 10.148 -10.070 1.00 0.00 N ATOM 199 CA SER A 12 4.924 8.903 -9.993 1.00 0.00 C ATOM 200 C SER A 12 5.836 7.757 -9.580 1.00 0.00 C ATOM 201 O SER A 12 7.056 7.826 -9.751 1.00 0.00 O ATOM 202 CB SER A 12 4.268 8.592 -11.342 1.00 0.00 C ATOM 203 OG SER A 12 5.205 8.698 -12.399 1.00 0.00 O ATOM 0 H SER A 12 6.683 10.026 -10.127 1.00 0.00 H new ATOM 0 HA SER A 12 4.144 9.017 -9.240 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.848 7.586 -11.323 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.440 9.280 -11.515 1.00 0.00 H new ATOM 0 HG SER A 12 4.729 8.812 -13.248 1.00 0.00 H new ATOM 209 N VAL A 13 5.242 6.712 -9.028 1.00 0.00 N ATOM 210 CA VAL A 13 5.987 5.534 -8.620 1.00 0.00 C ATOM 211 C VAL A 13 5.611 4.341 -9.485 1.00 0.00 C ATOM 212 O VAL A 13 4.451 3.933 -9.524 1.00 0.00 O ATOM 213 CB VAL A 13 5.742 5.178 -7.137 1.00 0.00 C ATOM 214 CG1 VAL A 13 6.593 6.049 -6.228 1.00 0.00 C ATOM 215 CG2 VAL A 13 4.266 5.320 -6.776 1.00 0.00 C ATOM 0 H VAL A 13 4.239 6.656 -8.852 1.00 0.00 H new ATOM 0 HA VAL A 13 7.044 5.768 -8.747 1.00 0.00 H new ATOM 0 HB VAL A 13 6.031 4.137 -6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.405 5.782 -5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.647 5.894 -6.458 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.338 7.097 -6.385 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.122 5.063 -5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.947 6.349 -6.945 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.673 4.650 -7.398 1.00 0.00 H new ATOM 225 N THR A 14 6.578 3.798 -10.199 1.00 0.00 N ATOM 226 CA THR A 14 6.330 2.614 -10.993 1.00 0.00 C ATOM 227 C THR A 14 6.306 1.381 -10.110 1.00 0.00 C ATOM 228 O THR A 14 7.312 1.027 -9.493 1.00 0.00 O ATOM 229 CB THR A 14 7.377 2.410 -12.100 1.00 0.00 C ATOM 230 OG1 THR A 14 7.532 3.615 -12.862 1.00 0.00 O ATOM 231 CG2 THR A 14 6.958 1.268 -13.023 1.00 0.00 C ATOM 0 H THR A 14 7.533 4.154 -10.245 1.00 0.00 H new ATOM 0 HA THR A 14 5.361 2.762 -11.469 1.00 0.00 H new ATOM 0 HB THR A 14 8.329 2.157 -11.633 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.202 3.475 -13.563 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.709 1.135 -13.802 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.868 0.348 -12.446 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.998 1.504 -13.481 1.00 0.00 H new ATOM 239 N LEU A 15 5.150 0.744 -10.041 1.00 0.00 N ATOM 240 CA LEU A 15 5.016 -0.505 -9.318 1.00 0.00 C ATOM 241 C LEU A 15 5.836 -1.571 -10.037 1.00 0.00 C ATOM 242 O LEU A 15 6.050 -1.457 -11.244 1.00 0.00 O ATOM 243 CB LEU A 15 3.540 -0.918 -9.244 1.00 0.00 C ATOM 244 CG LEU A 15 2.578 0.171 -8.767 1.00 0.00 C ATOM 245 CD1 LEU A 15 1.162 -0.376 -8.696 1.00 0.00 C ATOM 246 CD2 LEU A 15 3.016 0.720 -7.415 1.00 0.00 C ATOM 0 H LEU A 15 4.290 1.074 -10.479 1.00 0.00 H new ATOM 0 HA LEU A 15 5.383 -0.387 -8.298 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.223 -1.251 -10.232 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.453 -1.775 -8.576 1.00 0.00 H new ATOM 0 HG LEU A 15 2.596 0.991 -9.484 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.486 0.408 -8.355 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.854 -0.717 -9.684 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.130 -1.212 -7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.319 1.493 -7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.028 -0.086 -6.681 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.016 1.146 -7.502 1.00 0.00 H new ATOM 258 N PRO A 16 6.292 -2.617 -9.323 1.00 0.00 N ATOM 259 CA PRO A 16 7.136 -3.679 -9.894 1.00 0.00 C ATOM 260 C PRO A 16 6.606 -4.196 -11.232 1.00 0.00 C ATOM 261 O PRO A 16 7.376 -4.605 -12.102 1.00 0.00 O ATOM 262 CB PRO A 16 7.099 -4.793 -8.832 1.00 0.00 C ATOM 263 CG PRO A 16 6.111 -4.348 -7.801 1.00 0.00 C ATOM 264 CD PRO A 16 6.034 -2.854 -7.903 1.00 0.00 C ATOM 0 HA PRO A 16 8.141 -3.317 -10.110 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.800 -5.743 -9.274 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.084 -4.943 -8.389 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.135 -4.800 -7.978 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.427 -4.653 -6.803 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.057 -2.477 -7.600 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.775 -2.366 -7.270 1.00 0.00 H new ATOM 272 N ASP A 17 5.291 -4.157 -11.390 1.00 0.00 N ATOM 273 CA ASP A 17 4.651 -4.579 -12.625 1.00 0.00 C ATOM 274 C ASP A 17 3.467 -3.679 -12.946 1.00 0.00 C ATOM 275 O ASP A 17 2.689 -3.967 -13.851 1.00 0.00 O ATOM 276 CB ASP A 17 4.154 -6.018 -12.494 1.00 0.00 C ATOM 277 CG ASP A 17 3.005 -6.141 -11.507 1.00 0.00 C ATOM 278 OD1 ASP A 17 3.236 -5.971 -10.289 1.00 0.00 O ATOM 279 OD2 ASP A 17 1.862 -6.399 -11.945 1.00 0.00 O ATOM 0 H ASP A 17 4.643 -3.834 -10.671 1.00 0.00 H new ATOM 0 HA ASP A 17 5.386 -4.513 -13.427 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.832 -6.380 -13.471 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.977 -6.657 -12.173 1.00 0.00 H new ATOM 284 N GLY A 18 3.355 -2.563 -12.236 1.00 0.00 N ATOM 285 CA GLY A 18 2.118 -1.817 -12.270 1.00 0.00 C ATOM 286 C GLY A 18 2.244 -0.434 -12.856 1.00 0.00 C ATOM 287 O GLY A 18 1.434 0.440 -12.545 1.00 0.00 O ATOM 0 H GLY A 18 4.088 -2.168 -11.647 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.384 -2.379 -12.848 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.729 -1.735 -11.255 1.00 0.00 H new ATOM 291 N SER A 19 3.249 -0.235 -13.701 1.00 0.00 N ATOM 292 CA SER A 19 3.399 1.018 -14.431 1.00 0.00 C ATOM 293 C SER A 19 3.613 2.199 -13.484 1.00 0.00 C ATOM 294 O SER A 19 3.784 2.021 -12.277 1.00 0.00 O ATOM 295 CB SER A 19 2.157 1.255 -15.288 1.00 0.00 C ATOM 296 OG SER A 19 1.979 0.217 -16.239 1.00 0.00 O ATOM 0 H SER A 19 3.973 -0.926 -13.898 1.00 0.00 H new ATOM 0 HA SER A 19 4.281 0.941 -15.067 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.278 1.318 -14.647 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.246 2.211 -15.803 1.00 0.00 H new ATOM 0 HG SER A 19 1.176 0.395 -16.771 1.00 0.00 H new ATOM 302 N ILE A 20 3.608 3.403 -14.040 1.00 0.00 N ATOM 303 CA ILE A 20 3.759 4.612 -13.247 1.00 0.00 C ATOM 304 C ILE A 20 2.458 4.947 -12.524 1.00 0.00 C ATOM 305 O ILE A 20 1.473 5.373 -13.136 1.00 0.00 O ATOM 306 CB ILE A 20 4.210 5.815 -14.114 1.00 0.00 C ATOM 307 CG1 ILE A 20 3.354 5.928 -15.384 1.00 0.00 C ATOM 308 CG2 ILE A 20 5.685 5.689 -14.471 1.00 0.00 C ATOM 309 CD1 ILE A 20 3.722 7.101 -16.266 1.00 0.00 C ATOM 0 H ILE A 20 3.500 3.567 -15.041 1.00 0.00 H new ATOM 0 HA ILE A 20 4.538 4.420 -12.509 1.00 0.00 H new ATOM 0 HB ILE A 20 4.071 6.726 -13.532 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.452 5.008 -15.960 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.306 6.015 -15.098 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.986 6.541 -15.080 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.280 5.667 -13.558 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.846 4.768 -15.031 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.074 7.114 -17.143 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.597 8.029 -15.708 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.760 7.006 -16.584 1.00 0.00 H new ATOM 321 N MET A 21 2.444 4.723 -11.224 1.00 0.00 N ATOM 322 CA MET A 21 1.277 5.027 -10.419 1.00 0.00 C ATOM 323 C MET A 21 1.437 6.395 -9.778 1.00 0.00 C ATOM 324 O MET A 21 2.426 6.664 -9.094 1.00 0.00 O ATOM 325 CB MET A 21 1.070 3.952 -9.346 1.00 0.00 C ATOM 326 CG MET A 21 -0.204 4.138 -8.538 1.00 0.00 C ATOM 327 SD MET A 21 -0.467 2.817 -7.342 1.00 0.00 S ATOM 328 CE MET A 21 -2.032 3.316 -6.630 1.00 0.00 C ATOM 0 H MET A 21 3.228 4.331 -10.703 1.00 0.00 H new ATOM 0 HA MET A 21 0.397 5.039 -11.062 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.048 2.973 -9.824 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.924 3.957 -8.669 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.161 5.093 -8.015 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.056 4.184 -9.216 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.085 2.979 -5.595 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.117 4.402 -6.663 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.849 2.871 -7.198 1.00 0.00 H new ATOM 338 N THR A 22 0.476 7.264 -10.018 1.00 0.00 N ATOM 339 CA THR A 22 0.519 8.604 -9.477 1.00 0.00 C ATOM 340 C THR A 22 -0.422 8.687 -8.278 1.00 0.00 C ATOM 341 O THR A 22 -1.311 7.849 -8.128 1.00 0.00 O ATOM 342 CB THR A 22 0.115 9.632 -10.554 1.00 0.00 C ATOM 343 OG1 THR A 22 0.760 9.308 -11.794 1.00 0.00 O ATOM 344 CG2 THR A 22 0.508 11.038 -10.140 1.00 0.00 C ATOM 0 H THR A 22 -0.347 7.063 -10.587 1.00 0.00 H new ATOM 0 HA THR A 22 1.535 8.835 -9.156 1.00 0.00 H new ATOM 0 HB THR A 22 -0.968 9.594 -10.673 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.501 9.961 -12.478 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.212 11.742 -10.917 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.008 11.296 -9.207 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.588 11.087 -9.998 1.00 0.00 H new ATOM 352 N ARG A 23 -0.237 9.684 -7.421 1.00 0.00 N ATOM 353 CA ARG A 23 -1.071 9.812 -6.230 1.00 0.00 C ATOM 354 C ARG A 23 -2.484 10.261 -6.605 1.00 0.00 C ATOM 355 O ARG A 23 -3.373 10.322 -5.761 1.00 0.00 O ATOM 356 CB ARG A 23 -0.441 10.778 -5.222 1.00 0.00 C ATOM 357 CG ARG A 23 -0.504 12.240 -5.624 1.00 0.00 C ATOM 358 CD ARG A 23 0.255 13.112 -4.639 1.00 0.00 C ATOM 359 NE ARG A 23 -0.088 12.799 -3.250 1.00 0.00 N ATOM 360 CZ ARG A 23 -0.719 13.637 -2.428 1.00 0.00 C ATOM 361 NH1 ARG A 23 -1.120 14.828 -2.860 1.00 0.00 N ATOM 362 NH2 ARG A 23 -0.954 13.272 -1.174 1.00 0.00 N ATOM 0 H ARG A 23 0.474 10.408 -7.525 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.140 8.832 -5.758 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.941 10.657 -4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.603 10.500 -5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.084 12.364 -6.622 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.544 12.562 -5.673 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.327 12.977 -4.787 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.035 14.161 -4.839 1.00 0.00 H new ATOM 0 HE ARG A 23 0.173 11.881 -2.889 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.945 15.105 -3.826 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.602 15.465 -2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.652 12.355 -0.845 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.436 13.908 -0.539 1.00 0.00 H new ATOM 376 N ALA A 24 -2.681 10.564 -7.884 1.00 0.00 N ATOM 377 CA ALA A 24 -4.004 10.884 -8.404 1.00 0.00 C ATOM 378 C ALA A 24 -4.787 9.601 -8.671 1.00 0.00 C ATOM 379 O ALA A 24 -6.005 9.627 -8.864 1.00 0.00 O ATOM 380 CB ALA A 24 -3.888 11.714 -9.675 1.00 0.00 C ATOM 0 H ALA A 24 -1.937 10.594 -8.581 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.541 11.471 -7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.885 11.945 -10.051 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.359 12.642 -9.457 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.337 11.151 -10.428 1.00 0.00 H new ATOM 386 N ASP A 25 -4.070 8.477 -8.674 1.00 0.00 N ATOM 387 CA ASP A 25 -4.679 7.164 -8.863 1.00 0.00 C ATOM 388 C ASP A 25 -5.124 6.593 -7.521 1.00 0.00 C ATOM 389 O ASP A 25 -5.676 5.496 -7.450 1.00 0.00 O ATOM 390 CB ASP A 25 -3.687 6.185 -9.515 1.00 0.00 C ATOM 391 CG ASP A 25 -3.262 6.579 -10.919 1.00 0.00 C ATOM 392 OD1 ASP A 25 -4.040 6.348 -11.870 1.00 0.00 O ATOM 393 OD2 ASP A 25 -2.129 7.078 -11.087 1.00 0.00 O ATOM 0 H ASP A 25 -3.058 8.452 -8.546 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.541 7.288 -9.519 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.800 6.110 -8.886 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.139 5.194 -9.548 1.00 0.00 H new ATOM 398 N LEU A 26 -4.874 7.346 -6.457 1.00 0.00 N ATOM 399 CA LEU A 26 -5.156 6.879 -5.107 1.00 0.00 C ATOM 400 C LEU A 26 -6.624 7.063 -4.741 1.00 0.00 C ATOM 401 O LEU A 26 -7.191 8.144 -4.916 1.00 0.00 O ATOM 402 CB LEU A 26 -4.277 7.607 -4.084 1.00 0.00 C ATOM 403 CG LEU A 26 -2.781 7.291 -4.159 1.00 0.00 C ATOM 404 CD1 LEU A 26 -2.016 8.079 -3.107 1.00 0.00 C ATOM 405 CD2 LEU A 26 -2.537 5.799 -3.985 1.00 0.00 C ATOM 0 H LEU A 26 -4.476 8.284 -6.504 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.928 5.813 -5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.411 8.681 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.633 7.360 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.419 7.586 -5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.954 7.842 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.161 9.146 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.384 7.815 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.468 5.596 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.916 5.479 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.052 5.252 -4.774 1.00 0.00 H new ATOM 417 N PRO A 27 -7.249 5.981 -4.248 1.00 0.00 N ATOM 418 CA PRO A 27 -8.602 6.008 -3.668 1.00 0.00 C ATOM 419 C PRO A 27 -8.772 7.127 -2.640 1.00 0.00 C ATOM 420 O PRO A 27 -8.013 7.218 -1.673 1.00 0.00 O ATOM 421 CB PRO A 27 -8.682 4.643 -2.986 1.00 0.00 C ATOM 422 CG PRO A 27 -7.849 3.769 -3.846 1.00 0.00 C ATOM 423 CD PRO A 27 -6.680 4.618 -4.240 1.00 0.00 C ATOM 0 HA PRO A 27 -9.377 6.193 -4.412 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.300 4.682 -1.966 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.710 4.285 -2.928 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.526 2.877 -3.308 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.404 3.430 -4.721 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.858 4.528 -3.530 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.289 4.338 -5.218 1.00 0.00 H new ATOM 431 N PRO A 28 -9.782 7.988 -2.837 1.00 0.00 N ATOM 432 CA PRO A 28 -10.028 9.160 -1.981 1.00 0.00 C ATOM 433 C PRO A 28 -10.654 8.801 -0.634 1.00 0.00 C ATOM 434 O PRO A 28 -11.537 9.515 -0.155 1.00 0.00 O ATOM 435 CB PRO A 28 -11.012 9.986 -2.807 1.00 0.00 C ATOM 436 CG PRO A 28 -11.748 8.986 -3.627 1.00 0.00 C ATOM 437 CD PRO A 28 -10.768 7.886 -3.928 1.00 0.00 C ATOM 0 HA PRO A 28 -9.100 9.673 -1.729 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.691 10.550 -2.167 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.492 10.709 -3.436 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.612 8.600 -3.087 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.122 9.436 -4.546 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.253 6.910 -3.939 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.301 8.022 -4.904 1.00 0.00 H new ATOM 445 N ALA A 29 -10.172 7.713 -0.031 1.00 0.00 N ATOM 446 CA ALA A 29 -10.700 7.194 1.236 1.00 0.00 C ATOM 447 C ALA A 29 -12.101 6.610 1.053 1.00 0.00 C ATOM 448 O ALA A 29 -12.319 5.421 1.280 1.00 0.00 O ATOM 449 CB ALA A 29 -10.694 8.263 2.325 1.00 0.00 C ATOM 0 H ALA A 29 -9.400 7.163 -0.408 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.039 6.390 1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.092 7.843 3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.673 8.606 2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.313 9.104 2.013 1.00 0.00 H new ATOM 455 N ASN A 30 -13.043 7.439 0.619 1.00 0.00 N ATOM 456 CA ASN A 30 -14.413 6.990 0.387 1.00 0.00 C ATOM 457 C ASN A 30 -14.592 6.611 -1.072 1.00 0.00 C ATOM 458 O ASN A 30 -15.546 7.029 -1.729 1.00 0.00 O ATOM 459 CB ASN A 30 -15.429 8.063 0.783 1.00 0.00 C ATOM 460 CG ASN A 30 -15.467 8.300 2.279 1.00 0.00 C ATOM 461 OD1 ASN A 30 -16.189 7.621 3.011 1.00 0.00 O ATOM 462 ND2 ASN A 30 -14.696 9.267 2.740 1.00 0.00 N ATOM 0 H ASN A 30 -12.884 8.427 0.420 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.593 6.116 1.013 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -15.183 8.996 0.276 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.420 7.765 0.440 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.683 9.477 3.738 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.114 9.805 2.098 1.00 0.00 H new ATOM 469 N THR A 31 -13.649 5.825 -1.562 1.00 0.00 N ATOM 470 CA THR A 31 -13.670 5.310 -2.924 1.00 0.00 C ATOM 471 C THR A 31 -15.014 4.651 -3.239 1.00 0.00 C ATOM 472 O THR A 31 -15.505 3.837 -2.458 1.00 0.00 O ATOM 473 CB THR A 31 -12.567 4.263 -3.088 1.00 0.00 C ATOM 474 OG1 THR A 31 -11.451 4.644 -2.283 1.00 0.00 O ATOM 475 CG2 THR A 31 -12.140 4.143 -4.541 1.00 0.00 C ATOM 0 H THR A 31 -12.838 5.522 -1.022 1.00 0.00 H new ATOM 0 HA THR A 31 -13.513 6.145 -3.606 1.00 0.00 H new ATOM 0 HB THR A 31 -12.947 3.292 -2.770 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.348 4.008 -1.545 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.355 3.392 -4.629 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.995 3.847 -5.148 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.763 5.104 -4.890 1.00 0.00 H new ATOM 483 N ARG A 32 -15.606 4.994 -4.373 1.00 0.00 N ATOM 484 CA ARG A 32 -16.883 4.399 -4.756 1.00 0.00 C ATOM 485 C ARG A 32 -16.674 3.059 -5.451 1.00 0.00 C ATOM 486 O ARG A 32 -17.620 2.302 -5.663 1.00 0.00 O ATOM 487 CB ARG A 32 -17.682 5.346 -5.651 1.00 0.00 C ATOM 488 CG ARG A 32 -18.219 6.563 -4.914 1.00 0.00 C ATOM 489 CD ARG A 32 -19.209 7.340 -5.768 1.00 0.00 C ATOM 490 NE ARG A 32 -20.347 6.514 -6.169 1.00 0.00 N ATOM 491 CZ ARG A 32 -21.517 7.000 -6.579 1.00 0.00 C ATOM 492 NH1 ARG A 32 -21.709 8.312 -6.675 1.00 0.00 N ATOM 493 NH2 ARG A 32 -22.501 6.177 -6.905 1.00 0.00 N ATOM 0 H ARG A 32 -15.232 5.671 -5.038 1.00 0.00 H new ATOM 0 HA ARG A 32 -17.455 4.226 -3.844 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -17.048 5.679 -6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -18.516 4.800 -6.092 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -18.704 6.246 -3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -17.391 7.214 -4.632 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -19.567 8.206 -5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.704 7.718 -6.657 1.00 0.00 H new ATOM 0 HE ARG A 32 -20.238 5.501 -6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.956 8.957 -6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -22.609 8.674 -6.990 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -22.364 5.168 -6.842 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -23.396 6.552 -7.219 1.00 0.00 H new ATOM 507 N ARG A 33 -15.428 2.767 -5.807 1.00 0.00 N ATOM 508 CA ARG A 33 -15.093 1.487 -6.417 1.00 0.00 C ATOM 509 C ARG A 33 -13.970 0.808 -5.644 1.00 0.00 C ATOM 510 O ARG A 33 -12.795 0.971 -5.971 1.00 0.00 O ATOM 511 CB ARG A 33 -14.667 1.639 -7.888 1.00 0.00 C ATOM 512 CG ARG A 33 -15.697 2.297 -8.793 1.00 0.00 C ATOM 513 CD ARG A 33 -15.632 3.812 -8.704 1.00 0.00 C ATOM 514 NE ARG A 33 -16.523 4.462 -9.660 1.00 0.00 N ATOM 515 CZ ARG A 33 -16.434 5.747 -10.002 1.00 0.00 C ATOM 516 NH1 ARG A 33 -15.512 6.520 -9.443 1.00 0.00 N ATOM 517 NH2 ARG A 33 -17.263 6.264 -10.898 1.00 0.00 N ATOM 0 H ARG A 33 -14.636 3.398 -5.684 1.00 0.00 H new ATOM 0 HA ARG A 33 -15.995 0.876 -6.383 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.747 2.223 -7.925 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -14.434 0.652 -8.287 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -15.529 1.985 -9.824 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -16.695 1.958 -8.516 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.895 4.126 -7.694 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.608 4.141 -8.883 1.00 0.00 H new ATOM 0 HE ARG A 33 -17.257 3.900 -10.092 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.871 6.131 -8.751 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.444 7.503 -9.705 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.976 5.677 -11.331 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.188 7.249 -11.154 1.00 0.00 H new ATOM 531 N TRP A 34 -14.324 0.073 -4.601 1.00 0.00 N ATOM 532 CA TRP A 34 -13.340 -0.692 -3.853 1.00 0.00 C ATOM 533 C TRP A 34 -13.175 -2.081 -4.449 1.00 0.00 C ATOM 534 O TRP A 34 -13.547 -3.082 -3.836 1.00 0.00 O ATOM 535 CB TRP A 34 -13.707 -0.813 -2.370 1.00 0.00 C ATOM 536 CG TRP A 34 -13.350 0.385 -1.547 1.00 0.00 C ATOM 537 CD1 TRP A 34 -14.209 1.276 -0.975 1.00 0.00 C ATOM 538 CD2 TRP A 34 -12.030 0.818 -1.197 1.00 0.00 C ATOM 539 NE1 TRP A 34 -13.504 2.236 -0.289 1.00 0.00 N ATOM 540 CE2 TRP A 34 -12.164 1.975 -0.410 1.00 0.00 C ATOM 541 CE3 TRP A 34 -10.747 0.336 -1.472 1.00 0.00 C ATOM 542 CZ2 TRP A 34 -11.062 2.657 0.104 1.00 0.00 C ATOM 543 CZ3 TRP A 34 -9.657 1.013 -0.964 1.00 0.00 C ATOM 544 CH2 TRP A 34 -9.821 2.160 -0.183 1.00 0.00 C ATOM 0 H TRP A 34 -15.280 -0.010 -4.255 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.398 -0.148 -3.924 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.779 -0.990 -2.286 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -13.206 -1.687 -1.954 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -15.286 1.234 -1.050 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -13.912 3.016 0.226 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -10.611 -0.552 -2.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.184 3.545 0.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.661 0.651 -1.173 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -8.948 2.665 0.203 1.00 0.00 H new ATOM 555 N VAL A 35 -12.641 -2.135 -5.659 1.00 0.00 N ATOM 556 CA VAL A 35 -12.342 -3.409 -6.288 1.00 0.00 C ATOM 557 C VAL A 35 -11.028 -3.945 -5.737 1.00 0.00 C ATOM 558 O VAL A 35 -10.223 -3.178 -5.196 1.00 0.00 O ATOM 559 CB VAL A 35 -12.271 -3.293 -7.830 1.00 0.00 C ATOM 560 CG1 VAL A 35 -13.594 -2.788 -8.387 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.129 -2.388 -8.264 1.00 0.00 C ATOM 0 H VAL A 35 -12.407 -1.317 -6.221 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.152 -4.101 -6.056 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.079 -4.288 -8.232 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.527 -2.712 -9.472 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.390 -3.483 -8.120 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.814 -1.806 -7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.106 -2.327 -9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.276 -1.391 -7.848 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.185 -2.796 -7.903 1.00 0.00 H new ATOM 571 N ALA A 36 -10.818 -5.247 -5.861 1.00 0.00 N ATOM 572 CA ALA A 36 -9.630 -5.893 -5.314 1.00 0.00 C ATOM 573 C ALA A 36 -8.363 -5.236 -5.840 1.00 0.00 C ATOM 574 O ALA A 36 -7.485 -4.863 -5.066 1.00 0.00 O ATOM 575 CB ALA A 36 -9.628 -7.378 -5.643 1.00 0.00 C ATOM 0 H ALA A 36 -11.458 -5.882 -6.338 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.653 -5.776 -4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.734 -7.842 -5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.514 -7.847 -5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.635 -7.511 -6.725 1.00 0.00 H new ATOM 581 N SER A 37 -8.300 -5.062 -7.153 1.00 0.00 N ATOM 582 CA SER A 37 -7.139 -4.458 -7.798 1.00 0.00 C ATOM 583 C SER A 37 -6.866 -3.048 -7.265 1.00 0.00 C ATOM 584 O SER A 37 -5.720 -2.595 -7.244 1.00 0.00 O ATOM 585 CB SER A 37 -7.356 -4.406 -9.311 1.00 0.00 C ATOM 586 OG SER A 37 -7.705 -5.683 -9.819 1.00 0.00 O ATOM 0 H SER A 37 -9.044 -5.332 -7.797 1.00 0.00 H new ATOM 0 HA SER A 37 -6.271 -5.076 -7.570 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.144 -3.690 -9.544 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.449 -4.052 -9.800 1.00 0.00 H new ATOM 0 HG SER A 37 -7.840 -5.624 -10.788 1.00 0.00 H new ATOM 592 N ARG A 38 -7.910 -2.363 -6.808 1.00 0.00 N ATOM 593 CA ARG A 38 -7.769 -0.987 -6.352 1.00 0.00 C ATOM 594 C ARG A 38 -7.247 -0.930 -4.923 1.00 0.00 C ATOM 595 O ARG A 38 -6.348 -0.149 -4.631 1.00 0.00 O ATOM 596 CB ARG A 38 -9.089 -0.223 -6.481 1.00 0.00 C ATOM 597 CG ARG A 38 -9.005 1.214 -6.000 1.00 0.00 C ATOM 598 CD ARG A 38 -9.997 2.106 -6.724 1.00 0.00 C ATOM 599 NE ARG A 38 -9.644 2.289 -8.132 1.00 0.00 N ATOM 600 CZ ARG A 38 -10.116 3.270 -8.898 1.00 0.00 C ATOM 601 NH1 ARG A 38 -10.980 4.146 -8.410 1.00 0.00 N ATOM 602 NH2 ARG A 38 -9.719 3.382 -10.156 1.00 0.00 N ATOM 0 H ARG A 38 -8.857 -2.737 -6.744 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.036 -0.501 -6.996 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.404 -0.231 -7.524 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.859 -0.744 -5.912 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.197 1.251 -4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.994 1.592 -6.156 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.994 1.671 -6.654 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.038 3.077 -6.231 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.996 1.623 -8.553 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.289 4.072 -7.441 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.337 4.895 -9.003 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.050 2.715 -10.541 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.083 4.135 -10.740 1.00 0.00 H new ATOM 616 N LYS A 39 -7.787 -1.756 -4.029 1.00 0.00 N ATOM 617 CA LYS A 39 -7.273 -1.789 -2.666 1.00 0.00 C ATOM 618 C LYS A 39 -5.861 -2.376 -2.630 1.00 0.00 C ATOM 619 O LYS A 39 -5.027 -1.950 -1.829 1.00 0.00 O ATOM 620 CB LYS A 39 -8.217 -2.531 -1.711 1.00 0.00 C ATOM 621 CG LYS A 39 -8.756 -3.856 -2.224 1.00 0.00 C ATOM 622 CD LYS A 39 -9.638 -4.534 -1.178 1.00 0.00 C ATOM 623 CE LYS A 39 -10.746 -3.608 -0.686 1.00 0.00 C ATOM 624 NZ LYS A 39 -11.613 -4.260 0.337 1.00 0.00 N ATOM 0 H LYS A 39 -8.560 -2.395 -4.218 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.218 -0.759 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.690 -2.711 -0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.060 -1.879 -1.482 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.330 -3.690 -3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.926 -4.513 -2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.079 -5.435 -1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.025 -4.848 -0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.303 -2.707 -0.263 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.358 -3.295 -1.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.561 -3.832 0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.686 -5.277 0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.197 -4.126 1.281 1.00 0.00 H new ATOM 638 N ILE A 40 -5.586 -3.326 -3.522 1.00 0.00 N ATOM 639 CA ILE A 40 -4.233 -3.841 -3.700 1.00 0.00 C ATOM 640 C ILE A 40 -3.303 -2.722 -4.181 1.00 0.00 C ATOM 641 O ILE A 40 -2.133 -2.656 -3.795 1.00 0.00 O ATOM 642 CB ILE A 40 -4.207 -5.021 -4.704 1.00 0.00 C ATOM 643 CG1 ILE A 40 -4.956 -6.231 -4.127 1.00 0.00 C ATOM 644 CG2 ILE A 40 -2.780 -5.402 -5.074 1.00 0.00 C ATOM 645 CD1 ILE A 40 -4.437 -6.693 -2.781 1.00 0.00 C ATOM 0 H ILE A 40 -6.283 -3.753 -4.132 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.884 -4.210 -2.736 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.712 -4.698 -5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.012 -5.979 -4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.889 -7.058 -4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.797 -6.233 -5.780 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.282 -4.547 -5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.238 -5.699 -4.176 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.018 -7.551 -2.442 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.389 -6.978 -2.874 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.530 -5.883 -2.058 1.00 0.00 H new ATOM 657 N ALA A 41 -3.836 -1.833 -5.010 1.00 0.00 N ATOM 658 CA ALA A 41 -3.077 -0.688 -5.495 1.00 0.00 C ATOM 659 C ALA A 41 -2.799 0.296 -4.366 1.00 0.00 C ATOM 660 O ALA A 41 -1.776 0.972 -4.369 1.00 0.00 O ATOM 661 CB ALA A 41 -3.816 0.000 -6.633 1.00 0.00 C ATOM 0 H ALA A 41 -4.792 -1.883 -5.361 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.121 -1.050 -5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.234 0.853 -6.982 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.957 -0.704 -7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.788 0.345 -6.280 1.00 0.00 H new ATOM 667 N VAL A 42 -3.706 0.365 -3.394 1.00 0.00 N ATOM 668 CA VAL A 42 -3.522 1.253 -2.249 1.00 0.00 C ATOM 669 C VAL A 42 -2.268 0.868 -1.479 1.00 0.00 C ATOM 670 O VAL A 42 -1.384 1.696 -1.270 1.00 0.00 O ATOM 671 CB VAL A 42 -4.731 1.235 -1.283 1.00 0.00 C ATOM 672 CG1 VAL A 42 -4.565 2.284 -0.194 1.00 0.00 C ATOM 673 CG2 VAL A 42 -6.023 1.471 -2.039 1.00 0.00 C ATOM 0 H VAL A 42 -4.569 -0.179 -3.376 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.426 2.262 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.774 0.251 -0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.426 2.254 0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.658 2.078 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.492 3.272 -0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.861 1.455 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.983 2.441 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.156 0.688 -2.785 1.00 0.00 H new ATOM 683 N VAL A 43 -2.187 -0.398 -1.081 1.00 0.00 N ATOM 684 CA VAL A 43 -1.019 -0.896 -0.353 1.00 0.00 C ATOM 685 C VAL A 43 0.253 -0.743 -1.182 1.00 0.00 C ATOM 686 O VAL A 43 1.297 -0.357 -0.657 1.00 0.00 O ATOM 687 CB VAL A 43 -1.169 -2.373 0.079 1.00 0.00 C ATOM 688 CG1 VAL A 43 -1.419 -2.467 1.571 1.00 0.00 C ATOM 689 CG2 VAL A 43 -2.287 -3.063 -0.681 1.00 0.00 C ATOM 0 H VAL A 43 -2.911 -1.097 -1.248 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.946 -0.287 0.548 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.235 -2.882 -0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.522 -3.514 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.581 -2.024 2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.334 -1.931 1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.365 -4.099 -0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.229 -2.550 -0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.071 -3.036 -1.749 1.00 0.00 H new ATOM 699 N ARG A 44 0.159 -1.036 -2.475 1.00 0.00 N ATOM 700 CA ARG A 44 1.296 -0.875 -3.376 1.00 0.00 C ATOM 701 C ARG A 44 1.719 0.591 -3.452 1.00 0.00 C ATOM 702 O ARG A 44 2.900 0.911 -3.330 1.00 0.00 O ATOM 703 CB ARG A 44 0.965 -1.385 -4.785 1.00 0.00 C ATOM 704 CG ARG A 44 0.817 -2.898 -4.885 1.00 0.00 C ATOM 705 CD ARG A 44 0.567 -3.331 -6.323 1.00 0.00 C ATOM 706 NE ARG A 44 0.508 -4.789 -6.471 1.00 0.00 N ATOM 707 CZ ARG A 44 1.161 -5.471 -7.415 1.00 0.00 C ATOM 708 NH1 ARG A 44 1.928 -4.832 -8.288 1.00 0.00 N ATOM 709 NH2 ARG A 44 1.038 -6.788 -7.492 1.00 0.00 N ATOM 0 H ARG A 44 -0.689 -1.385 -2.922 1.00 0.00 H new ATOM 0 HA ARG A 44 2.118 -1.467 -2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.039 -0.918 -5.119 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.750 -1.062 -5.469 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.719 -3.380 -4.508 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.008 -3.228 -4.254 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.370 -2.896 -6.672 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.359 -2.937 -6.960 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.067 -5.314 -5.812 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.020 -3.817 -8.239 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.426 -5.355 -9.008 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.443 -7.284 -6.829 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.538 -7.306 -8.215 1.00 0.00 H new ATOM 723 N GLY A 45 0.742 1.469 -3.635 1.00 0.00 N ATOM 724 CA GLY A 45 1.018 2.883 -3.796 1.00 0.00 C ATOM 725 C GLY A 45 1.586 3.528 -2.549 1.00 0.00 C ATOM 726 O GLY A 45 2.462 4.386 -2.636 1.00 0.00 O ATOM 0 H GLY A 45 -0.247 1.223 -3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.720 3.018 -4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.098 3.396 -4.075 1.00 0.00 H new ATOM 730 N VAL A 46 1.099 3.130 -1.383 1.00 0.00 N ATOM 731 CA VAL A 46 1.582 3.725 -0.145 1.00 0.00 C ATOM 732 C VAL A 46 2.935 3.138 0.267 1.00 0.00 C ATOM 733 O VAL A 46 3.926 3.863 0.324 1.00 0.00 O ATOM 734 CB VAL A 46 0.555 3.611 1.017 1.00 0.00 C ATOM 735 CG1 VAL A 46 -0.696 4.412 0.696 1.00 0.00 C ATOM 736 CG2 VAL A 46 0.183 2.165 1.321 1.00 0.00 C ATOM 0 H VAL A 46 0.384 2.412 -1.267 1.00 0.00 H new ATOM 0 HA VAL A 46 1.715 4.787 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 46 1.032 4.020 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.406 4.323 1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.431 5.460 0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.149 4.028 -0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.536 2.139 2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.259 1.709 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.078 1.611 1.606 1.00 0.00 H new ATOM 746 N ILE A 47 2.977 1.822 0.474 1.00 0.00 N ATOM 747 CA ILE A 47 4.150 1.148 1.033 1.00 0.00 C ATOM 748 C ILE A 47 5.352 1.228 0.096 1.00 0.00 C ATOM 749 O ILE A 47 6.458 1.566 0.512 1.00 0.00 O ATOM 750 CB ILE A 47 3.835 -0.340 1.327 1.00 0.00 C ATOM 751 CG1 ILE A 47 2.710 -0.460 2.360 1.00 0.00 C ATOM 752 CG2 ILE A 47 5.081 -1.079 1.808 1.00 0.00 C ATOM 753 CD1 ILE A 47 2.328 -1.891 2.673 1.00 0.00 C ATOM 0 H ILE A 47 2.202 1.194 0.260 1.00 0.00 H new ATOM 0 HA ILE A 47 4.400 1.663 1.961 1.00 0.00 H new ATOM 0 HB ILE A 47 3.503 -0.803 0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.019 0.035 3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.832 0.070 1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.832 -2.121 2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.852 -1.031 1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.450 -0.613 2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.526 -1.900 3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.988 -2.384 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.194 -2.420 3.071 1.00 0.00 H new ATOM 765 N TYR A 48 5.127 0.920 -1.172 1.00 0.00 N ATOM 766 CA TYR A 48 6.203 0.895 -2.150 1.00 0.00 C ATOM 767 C TYR A 48 6.442 2.287 -2.708 1.00 0.00 C ATOM 768 O TYR A 48 7.543 2.608 -3.165 1.00 0.00 O ATOM 769 CB TYR A 48 5.845 -0.069 -3.285 1.00 0.00 C ATOM 770 CG TYR A 48 6.920 -0.237 -4.335 1.00 0.00 C ATOM 771 CD1 TYR A 48 8.026 -1.046 -4.110 1.00 0.00 C ATOM 772 CD2 TYR A 48 6.821 0.411 -5.557 1.00 0.00 C ATOM 773 CE1 TYR A 48 9.004 -1.200 -5.074 1.00 0.00 C ATOM 774 CE2 TYR A 48 7.792 0.262 -6.526 1.00 0.00 C ATOM 775 CZ TYR A 48 8.882 -0.544 -6.282 1.00 0.00 C ATOM 776 OH TYR A 48 9.853 -0.694 -7.246 1.00 0.00 O ATOM 0 H TYR A 48 4.209 0.684 -1.548 1.00 0.00 H new ATOM 0 HA TYR A 48 7.116 0.554 -1.662 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.619 -1.045 -2.856 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.935 0.284 -3.770 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.123 -1.563 -3.167 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.968 1.044 -5.754 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.860 -1.831 -4.883 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.698 0.775 -7.472 1.00 0.00 H new ATOM 0 HH TYR A 48 9.614 -0.166 -8.036 1.00 0.00 H new ATOM 786 N GLY A 49 5.409 3.110 -2.658 1.00 0.00 N ATOM 787 CA GLY A 49 5.446 4.372 -3.350 1.00 0.00 C ATOM 788 C GLY A 49 5.736 5.575 -2.475 1.00 0.00 C ATOM 789 O GLY A 49 6.845 6.112 -2.503 1.00 0.00 O ATOM 0 H GLY A 49 4.545 2.924 -2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.204 4.319 -4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.488 4.525 -3.846 1.00 0.00 H new ATOM 793 N LEU A 50 4.745 6.008 -1.701 1.00 0.00 N ATOM 794 CA LEU A 50 4.780 7.350 -1.131 1.00 0.00 C ATOM 795 C LEU A 50 5.085 7.379 0.363 1.00 0.00 C ATOM 796 O LEU A 50 6.206 7.695 0.768 1.00 0.00 O ATOM 797 CB LEU A 50 3.459 8.090 -1.394 1.00 0.00 C ATOM 798 CG LEU A 50 3.244 8.598 -2.827 1.00 0.00 C ATOM 799 CD1 LEU A 50 2.945 7.453 -3.782 1.00 0.00 C ATOM 800 CD2 LEU A 50 2.119 9.620 -2.858 1.00 0.00 C ATOM 0 H LEU A 50 3.921 5.459 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 50 5.604 7.856 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.635 7.423 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.402 8.941 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 50 4.167 9.075 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.798 7.847 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.781 6.754 -3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.041 6.936 -3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.976 9.973 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.198 9.158 -2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.375 10.463 -2.216 1.00 0.00 H new ATOM 812 N ILE A 51 4.094 7.052 1.184 1.00 0.00 N ATOM 813 CA ILE A 51 4.180 7.334 2.610 1.00 0.00 C ATOM 814 C ILE A 51 4.084 6.072 3.456 1.00 0.00 C ATOM 815 O ILE A 51 3.822 4.982 2.949 1.00 0.00 O ATOM 816 CB ILE A 51 3.086 8.333 3.081 1.00 0.00 C ATOM 817 CG1 ILE A 51 1.697 7.673 3.172 1.00 0.00 C ATOM 818 CG2 ILE A 51 3.032 9.551 2.167 1.00 0.00 C ATOM 819 CD1 ILE A 51 1.116 7.212 1.849 1.00 0.00 C ATOM 0 H ILE A 51 3.230 6.596 0.890 1.00 0.00 H new ATOM 0 HA ILE A 51 5.162 7.786 2.753 1.00 0.00 H new ATOM 0 HB ILE A 51 3.363 8.656 4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.763 6.815 3.841 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.005 8.381 3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.259 10.235 2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.997 10.058 2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.801 9.233 1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.138 6.762 2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.011 8.066 1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.781 6.476 1.396 1.00 0.00 H new ATOM 831 N THR A 52 4.282 6.240 4.753 1.00 0.00 N ATOM 832 CA THR A 52 4.263 5.128 5.681 1.00 0.00 C ATOM 833 C THR A 52 2.833 4.720 6.032 1.00 0.00 C ATOM 834 O THR A 52 1.870 5.415 5.689 1.00 0.00 O ATOM 835 CB THR A 52 5.026 5.487 6.969 1.00 0.00 C ATOM 836 OG1 THR A 52 4.551 6.738 7.482 1.00 0.00 O ATOM 837 CG2 THR A 52 6.523 5.575 6.703 1.00 0.00 C ATOM 0 H THR A 52 4.459 7.146 5.187 1.00 0.00 H new ATOM 0 HA THR A 52 4.753 4.286 5.193 1.00 0.00 H new ATOM 0 HB THR A 52 4.851 4.702 7.704 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.038 6.961 8.302 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.042 5.830 7.627 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.885 4.614 6.337 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.715 6.344 5.955 1.00 0.00 H new ATOM 845 N LEU A 53 2.706 3.602 6.734 1.00 0.00 N ATOM 846 CA LEU A 53 1.404 3.074 7.121 1.00 0.00 C ATOM 847 C LEU A 53 0.689 4.019 8.084 1.00 0.00 C ATOM 848 O LEU A 53 -0.535 4.035 8.146 1.00 0.00 O ATOM 849 CB LEU A 53 1.567 1.683 7.758 1.00 0.00 C ATOM 850 CG LEU A 53 0.315 1.111 8.437 1.00 0.00 C ATOM 851 CD1 LEU A 53 -0.833 0.983 7.450 1.00 0.00 C ATOM 852 CD2 LEU A 53 0.622 -0.240 9.065 1.00 0.00 C ATOM 0 H LEU A 53 3.496 3.039 7.049 1.00 0.00 H new ATOM 0 HA LEU A 53 0.792 2.985 6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.890 0.985 6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.367 1.733 8.496 1.00 0.00 H new ATOM 0 HG LEU A 53 0.012 1.804 9.222 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.706 0.575 7.959 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.075 1.965 7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.542 0.317 6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.276 -0.632 9.542 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.954 -0.933 8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.408 -0.124 9.811 1.00 0.00 H new ATOM 864 N ALA A 54 1.457 4.809 8.823 1.00 0.00 N ATOM 865 CA ALA A 54 0.885 5.745 9.783 1.00 0.00 C ATOM 866 C ALA A 54 -0.081 6.708 9.097 1.00 0.00 C ATOM 867 O ALA A 54 -1.245 6.817 9.483 1.00 0.00 O ATOM 868 CB ALA A 54 1.991 6.507 10.497 1.00 0.00 C ATOM 0 H ALA A 54 2.476 4.821 8.777 1.00 0.00 H new ATOM 0 HA ALA A 54 0.321 5.178 10.523 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.551 7.203 11.211 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.635 5.804 11.025 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.581 7.061 9.767 1.00 0.00 H new ATOM 874 N GLU A 55 0.398 7.373 8.055 1.00 0.00 N ATOM 875 CA GLU A 55 -0.414 8.334 7.317 1.00 0.00 C ATOM 876 C GLU A 55 -1.587 7.616 6.648 1.00 0.00 C ATOM 877 O GLU A 55 -2.734 8.062 6.709 1.00 0.00 O ATOM 878 CB GLU A 55 0.457 9.042 6.269 1.00 0.00 C ATOM 879 CG GLU A 55 0.065 10.487 5.987 1.00 0.00 C ATOM 880 CD GLU A 55 -1.317 10.637 5.386 1.00 0.00 C ATOM 881 OE1 GLU A 55 -1.446 10.558 4.144 1.00 0.00 O ATOM 882 OE2 GLU A 55 -2.278 10.858 6.149 1.00 0.00 O ATOM 0 H GLU A 55 1.348 7.265 7.700 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.813 9.080 8.004 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.494 9.020 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.410 8.479 5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.111 11.055 6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.796 10.927 5.309 1.00 0.00 H new ATOM 889 N ALA A 56 -1.292 6.470 6.050 1.00 0.00 N ATOM 890 CA ALA A 56 -2.301 5.684 5.349 1.00 0.00 C ATOM 891 C ALA A 56 -3.291 5.045 6.316 1.00 0.00 C ATOM 892 O ALA A 56 -4.302 4.506 5.892 1.00 0.00 O ATOM 893 CB ALA A 56 -1.639 4.618 4.490 1.00 0.00 C ATOM 0 H ALA A 56 -0.358 6.061 6.036 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.860 6.364 4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.405 4.040 3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.988 5.094 3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.049 3.955 5.123 1.00 0.00 H new ATOM 899 N LYS A 57 -3.007 5.109 7.609 1.00 0.00 N ATOM 900 CA LYS A 57 -3.922 4.572 8.607 1.00 0.00 C ATOM 901 C LYS A 57 -4.836 5.670 9.133 1.00 0.00 C ATOM 902 O LYS A 57 -6.045 5.481 9.252 1.00 0.00 O ATOM 903 CB LYS A 57 -3.152 3.922 9.759 1.00 0.00 C ATOM 904 CG LYS A 57 -4.045 3.255 10.795 1.00 0.00 C ATOM 905 CD LYS A 57 -3.232 2.499 11.833 1.00 0.00 C ATOM 906 CE LYS A 57 -2.496 1.317 11.220 1.00 0.00 C ATOM 907 NZ LYS A 57 -3.432 0.264 10.735 1.00 0.00 N ATOM 0 H LYS A 57 -2.157 5.524 7.990 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.534 3.806 8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.466 3.179 9.352 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.544 4.681 10.251 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.655 4.010 11.290 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.729 2.568 10.298 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.513 3.175 12.295 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.892 2.146 12.625 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.881 1.665 10.390 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.820 0.888 11.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.896 -0.595 10.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.125 0.046 11.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.930 0.605 9.888 1.00 0.00 H new ATOM 921 N GLN A 58 -4.265 6.827 9.432 1.00 0.00 N ATOM 922 CA GLN A 58 -5.054 7.952 9.911 1.00 0.00 C ATOM 923 C GLN A 58 -5.982 8.470 8.819 1.00 0.00 C ATOM 924 O GLN A 58 -7.067 8.970 9.104 1.00 0.00 O ATOM 925 CB GLN A 58 -4.154 9.077 10.431 1.00 0.00 C ATOM 926 CG GLN A 58 -3.772 8.924 11.897 1.00 0.00 C ATOM 927 CD GLN A 58 -2.895 7.717 12.167 1.00 0.00 C ATOM 928 OE1 GLN A 58 -3.387 6.610 12.390 1.00 0.00 O ATOM 929 NE2 GLN A 58 -1.591 7.930 12.183 1.00 0.00 N ATOM 0 H GLN A 58 -3.265 7.011 9.352 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.666 7.598 10.741 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.246 9.112 9.829 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.663 10.031 10.295 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.251 9.823 12.225 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.680 8.846 12.495 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.224 8.863 11.993 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.951 7.162 12.386 1.00 0.00 H new ATOM 938 N THR A 59 -5.562 8.341 7.570 1.00 0.00 N ATOM 939 CA THR A 59 -6.383 8.779 6.456 1.00 0.00 C ATOM 940 C THR A 59 -7.116 7.609 5.786 1.00 0.00 C ATOM 941 O THR A 59 -8.339 7.628 5.665 1.00 0.00 O ATOM 942 CB THR A 59 -5.539 9.534 5.411 1.00 0.00 C ATOM 943 OG1 THR A 59 -4.859 10.632 6.037 1.00 0.00 O ATOM 944 CG2 THR A 59 -6.410 10.059 4.277 1.00 0.00 C ATOM 0 H THR A 59 -4.663 7.939 7.305 1.00 0.00 H new ATOM 0 HA THR A 59 -7.133 9.456 6.866 1.00 0.00 H new ATOM 0 HB THR A 59 -4.812 8.836 4.995 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.932 10.665 5.722 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.788 10.587 3.555 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.908 9.224 3.784 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.158 10.742 4.679 1.00 0.00 H new ATOM 952 N TYR A 60 -6.376 6.583 5.371 1.00 0.00 N ATOM 953 CA TYR A 60 -6.959 5.492 4.587 1.00 0.00 C ATOM 954 C TYR A 60 -7.120 4.225 5.417 1.00 0.00 C ATOM 955 O TYR A 60 -7.287 3.147 4.862 1.00 0.00 O ATOM 956 CB TYR A 60 -6.100 5.174 3.357 1.00 0.00 C ATOM 957 CG TYR A 60 -5.725 6.379 2.524 1.00 0.00 C ATOM 958 CD1 TYR A 60 -6.668 7.028 1.735 1.00 0.00 C ATOM 959 CD2 TYR A 60 -4.421 6.857 2.515 1.00 0.00 C ATOM 960 CE1 TYR A 60 -6.318 8.120 0.962 1.00 0.00 C ATOM 961 CE2 TYR A 60 -4.067 7.947 1.748 1.00 0.00 C ATOM 962 CZ TYR A 60 -5.017 8.577 0.974 1.00 0.00 C ATOM 963 OH TYR A 60 -4.662 9.662 0.206 1.00 0.00 O ATOM 0 H TYR A 60 -5.379 6.483 5.562 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.944 5.832 4.266 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.187 4.677 3.686 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.639 4.466 2.727 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.688 6.674 1.726 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.672 6.367 3.119 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.060 8.613 0.352 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.048 8.306 1.754 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.709 9.854 0.331 1.00 0.00 H new ATOM 973 N GLY A 61 -7.064 4.367 6.739 1.00 0.00 N ATOM 974 CA GLY A 61 -6.988 3.218 7.634 1.00 0.00 C ATOM 975 C GLY A 61 -8.086 2.188 7.456 1.00 0.00 C ATOM 976 O GLY A 61 -7.848 1.007 7.704 1.00 0.00 O ATOM 0 H GLY A 61 -7.070 5.270 7.214 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.025 2.728 7.489 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.012 3.577 8.663 1.00 0.00 H new ATOM 980 N LEU A 62 -9.270 2.629 7.017 1.00 0.00 N ATOM 981 CA LEU A 62 -10.460 1.765 6.879 1.00 0.00 C ATOM 982 C LEU A 62 -10.731 1.012 8.184 1.00 0.00 C ATOM 983 O LEU A 62 -11.450 1.484 9.066 1.00 0.00 O ATOM 984 CB LEU A 62 -10.317 0.737 5.736 1.00 0.00 C ATOM 985 CG LEU A 62 -9.332 1.085 4.618 1.00 0.00 C ATOM 986 CD1 LEU A 62 -8.100 0.192 4.696 1.00 0.00 C ATOM 987 CD2 LEU A 62 -9.990 0.946 3.261 1.00 0.00 C ATOM 0 H LEU A 62 -9.436 3.598 6.745 1.00 0.00 H new ATOM 0 HA LEU A 62 -11.293 2.427 6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.015 -0.216 6.171 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.300 0.586 5.289 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.023 2.122 4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.410 0.453 3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.608 0.334 5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.399 -0.851 4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.272 1.198 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.329 -0.081 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.844 1.621 3.200 1.00 0.00 H new ATOM 999 N SER A 63 -10.152 -0.175 8.273 1.00 0.00 N ATOM 1000 CA SER A 63 -10.113 -0.955 9.488 1.00 0.00 C ATOM 1001 C SER A 63 -8.815 -1.748 9.480 1.00 0.00 C ATOM 1002 O SER A 63 -8.355 -2.163 8.412 1.00 0.00 O ATOM 1003 CB SER A 63 -11.323 -1.890 9.572 1.00 0.00 C ATOM 1004 OG SER A 63 -12.537 -1.157 9.491 1.00 0.00 O ATOM 0 H SER A 63 -9.689 -0.627 7.485 1.00 0.00 H new ATOM 0 HA SER A 63 -10.153 -0.303 10.360 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.280 -2.620 8.764 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.292 -2.448 10.508 1.00 0.00 H new ATOM 0 HG SER A 63 -13.296 -1.774 9.545 1.00 0.00 H new ATOM 1010 N ASP A 64 -8.212 -1.932 10.645 1.00 0.00 N ATOM 1011 CA ASP A 64 -6.919 -2.603 10.736 1.00 0.00 C ATOM 1012 C ASP A 64 -6.953 -3.973 10.068 1.00 0.00 C ATOM 1013 O ASP A 64 -6.084 -4.291 9.259 1.00 0.00 O ATOM 1014 CB ASP A 64 -6.468 -2.737 12.194 1.00 0.00 C ATOM 1015 CG ASP A 64 -5.901 -1.442 12.747 1.00 0.00 C ATOM 1016 OD1 ASP A 64 -4.681 -1.214 12.592 1.00 0.00 O ATOM 1017 OD2 ASP A 64 -6.669 -0.646 13.327 1.00 0.00 O ATOM 0 H ASP A 64 -8.594 -1.628 11.540 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.196 -1.983 10.205 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.314 -3.050 12.806 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.714 -3.521 12.267 1.00 0.00 H new ATOM 1022 N GLU A 65 -7.974 -4.766 10.378 1.00 0.00 N ATOM 1023 CA GLU A 65 -8.090 -6.108 9.819 1.00 0.00 C ATOM 1024 C GLU A 65 -8.240 -6.063 8.296 1.00 0.00 C ATOM 1025 O GLU A 65 -7.718 -6.927 7.585 1.00 0.00 O ATOM 1026 CB GLU A 65 -9.277 -6.847 10.439 1.00 0.00 C ATOM 1027 CG GLU A 65 -9.138 -8.356 10.374 1.00 0.00 C ATOM 1028 CD GLU A 65 -8.025 -8.866 11.270 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -6.840 -8.551 11.005 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -8.330 -9.553 12.264 1.00 0.00 O ATOM 0 H GLU A 65 -8.730 -4.504 11.011 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.173 -6.647 10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.383 -6.542 11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.191 -6.550 9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.080 -8.819 10.667 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.941 -8.657 9.345 1.00 0.00 H new ATOM 1037 N GLU A 66 -8.947 -5.048 7.801 1.00 0.00 N ATOM 1038 CA GLU A 66 -9.105 -4.846 6.363 1.00 0.00 C ATOM 1039 C GLU A 66 -7.733 -4.694 5.715 1.00 0.00 C ATOM 1040 O GLU A 66 -7.374 -5.448 4.810 1.00 0.00 O ATOM 1041 CB GLU A 66 -9.957 -3.596 6.091 1.00 0.00 C ATOM 1042 CG GLU A 66 -10.135 -3.256 4.613 1.00 0.00 C ATOM 1043 CD GLU A 66 -10.960 -4.277 3.850 1.00 0.00 C ATOM 1044 OE1 GLU A 66 -12.055 -4.640 4.329 1.00 0.00 O ATOM 1045 OE2 GLU A 66 -10.528 -4.702 2.752 1.00 0.00 O ATOM 0 H GLU A 66 -9.420 -4.352 8.377 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.612 -5.711 5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.941 -3.739 6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.499 -2.744 6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.612 -2.279 4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.153 -3.173 4.147 1.00 0.00 H new ATOM 1052 N PHE A 67 -6.956 -3.746 6.228 1.00 0.00 N ATOM 1053 CA PHE A 67 -5.637 -3.451 5.684 1.00 0.00 C ATOM 1054 C PHE A 67 -4.720 -4.669 5.809 1.00 0.00 C ATOM 1055 O PHE A 67 -3.937 -4.963 4.904 1.00 0.00 O ATOM 1056 CB PHE A 67 -5.028 -2.248 6.412 1.00 0.00 C ATOM 1057 CG PHE A 67 -3.809 -1.686 5.734 1.00 0.00 C ATOM 1058 CD1 PHE A 67 -2.548 -2.184 6.014 1.00 0.00 C ATOM 1059 CD2 PHE A 67 -3.930 -0.657 4.814 1.00 0.00 C ATOM 1060 CE1 PHE A 67 -1.428 -1.666 5.390 1.00 0.00 C ATOM 1061 CE2 PHE A 67 -2.816 -0.134 4.187 1.00 0.00 C ATOM 1062 CZ PHE A 67 -1.564 -0.641 4.474 1.00 0.00 C ATOM 0 H PHE A 67 -7.220 -3.166 7.025 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.741 -3.208 4.627 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.781 -1.464 6.494 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.764 -2.544 7.427 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.438 -2.987 6.728 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.907 -0.259 4.584 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.449 -2.062 5.618 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.924 0.670 3.474 1.00 0.00 H new ATOM 0 HZ PHE A 67 -0.692 -0.236 3.983 1.00 0.00 H new ATOM 1072 N ASN A 68 -4.833 -5.379 6.932 1.00 0.00 N ATOM 1073 CA ASN A 68 -4.043 -6.592 7.160 1.00 0.00 C ATOM 1074 C ASN A 68 -4.296 -7.614 6.065 1.00 0.00 C ATOM 1075 O ASN A 68 -3.371 -8.272 5.587 1.00 0.00 O ATOM 1076 CB ASN A 68 -4.379 -7.237 8.511 1.00 0.00 C ATOM 1077 CG ASN A 68 -3.946 -6.409 9.704 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -2.997 -5.630 9.629 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -4.633 -6.595 10.822 1.00 0.00 N ATOM 0 H ASN A 68 -5.462 -5.137 7.697 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.995 -6.291 7.155 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.455 -7.404 8.567 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.901 -8.215 8.566 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.381 -6.081 11.667 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.413 -7.252 10.838 1.00 0.00 H new ATOM 1086 N SER A 69 -5.558 -7.740 5.674 1.00 0.00 N ATOM 1087 CA SER A 69 -5.960 -8.713 4.669 1.00 0.00 C ATOM 1088 C SER A 69 -5.278 -8.433 3.332 1.00 0.00 C ATOM 1089 O SER A 69 -4.927 -9.359 2.599 1.00 0.00 O ATOM 1090 CB SER A 69 -7.482 -8.692 4.508 1.00 0.00 C ATOM 1091 OG SER A 69 -8.126 -8.941 5.749 1.00 0.00 O ATOM 0 H SER A 69 -6.324 -7.176 6.041 1.00 0.00 H new ATOM 0 HA SER A 69 -5.649 -9.704 5.001 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.797 -7.724 4.118 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.785 -9.444 3.779 1.00 0.00 H new ATOM 0 HG SER A 69 -8.030 -8.158 6.330 1.00 0.00 H new ATOM 1097 N TRP A 70 -5.071 -7.154 3.031 1.00 0.00 N ATOM 1098 CA TRP A 70 -4.422 -6.755 1.787 1.00 0.00 C ATOM 1099 C TRP A 70 -2.982 -7.248 1.772 1.00 0.00 C ATOM 1100 O TRP A 70 -2.563 -7.956 0.855 1.00 0.00 O ATOM 1101 CB TRP A 70 -4.431 -5.230 1.621 1.00 0.00 C ATOM 1102 CG TRP A 70 -5.788 -4.597 1.692 1.00 0.00 C ATOM 1103 CD1 TRP A 70 -6.989 -5.227 1.856 1.00 0.00 C ATOM 1104 CD2 TRP A 70 -6.078 -3.201 1.597 1.00 0.00 C ATOM 1105 NE1 TRP A 70 -8.004 -4.304 1.890 1.00 0.00 N ATOM 1106 CE2 TRP A 70 -7.470 -3.053 1.724 1.00 0.00 C ATOM 1107 CE3 TRP A 70 -5.292 -2.060 1.418 1.00 0.00 C ATOM 1108 CZ2 TRP A 70 -8.093 -1.809 1.681 1.00 0.00 C ATOM 1109 CZ3 TRP A 70 -5.911 -0.826 1.374 1.00 0.00 C ATOM 1110 CH2 TRP A 70 -7.298 -0.709 1.503 1.00 0.00 C ATOM 0 H TRP A 70 -5.344 -6.376 3.632 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.978 -7.200 0.962 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.800 -4.791 2.394 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.979 -4.981 0.661 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.120 -6.295 1.946 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -8.994 -4.515 2.018 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.220 -2.141 1.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -9.164 -1.715 1.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -5.313 0.063 1.238 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.752 0.270 1.461 1.00 0.00 H new ATOM 1121 N VAL A 71 -2.239 -6.881 2.808 1.00 0.00 N ATOM 1122 CA VAL A 71 -0.829 -7.232 2.906 1.00 0.00 C ATOM 1123 C VAL A 71 -0.650 -8.743 3.019 1.00 0.00 C ATOM 1124 O VAL A 71 0.290 -9.305 2.464 1.00 0.00 O ATOM 1125 CB VAL A 71 -0.154 -6.552 4.113 1.00 0.00 C ATOM 1126 CG1 VAL A 71 1.350 -6.793 4.106 1.00 0.00 C ATOM 1127 CG2 VAL A 71 -0.454 -5.062 4.127 1.00 0.00 C ATOM 0 H VAL A 71 -2.592 -6.338 3.596 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.352 -6.876 1.993 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.564 -6.996 5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.801 -6.302 4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.547 -7.864 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.780 -6.385 3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.032 -4.601 4.987 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.078 -4.607 3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.531 -4.908 4.193 1.00 0.00 H new ATOM 1137 N SER A 72 -1.563 -9.398 3.724 1.00 0.00 N ATOM 1138 CA SER A 72 -1.488 -10.839 3.911 1.00 0.00 C ATOM 1139 C SER A 72 -1.624 -11.565 2.572 1.00 0.00 C ATOM 1140 O SER A 72 -0.992 -12.601 2.346 1.00 0.00 O ATOM 1141 CB SER A 72 -2.577 -11.302 4.884 1.00 0.00 C ATOM 1142 OG SER A 72 -2.375 -12.647 5.284 1.00 0.00 O ATOM 0 H SER A 72 -2.363 -8.954 4.175 1.00 0.00 H new ATOM 0 HA SER A 72 -0.513 -11.083 4.333 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.581 -10.656 5.762 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.555 -11.204 4.412 1.00 0.00 H new ATOM 0 HG SER A 72 -3.084 -12.913 5.906 1.00 0.00 H new ATOM 1148 N ALA A 73 -2.431 -11.007 1.675 1.00 0.00 N ATOM 1149 CA ALA A 73 -2.636 -11.606 0.365 1.00 0.00 C ATOM 1150 C ALA A 73 -1.463 -11.288 -0.550 1.00 0.00 C ATOM 1151 O ALA A 73 -1.076 -12.098 -1.394 1.00 0.00 O ATOM 1152 CB ALA A 73 -3.939 -11.113 -0.246 1.00 0.00 C ATOM 0 H ALA A 73 -2.951 -10.144 1.832 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.699 -12.688 0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.077 -11.570 -1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.771 -11.386 0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.903 -10.029 -0.354 1.00 0.00 H new ATOM 1158 N LEU A 74 -0.885 -10.111 -0.356 1.00 0.00 N ATOM 1159 CA LEU A 74 0.238 -9.652 -1.162 1.00 0.00 C ATOM 1160 C LEU A 74 1.539 -10.297 -0.701 1.00 0.00 C ATOM 1161 O LEU A 74 2.525 -10.344 -1.442 1.00 0.00 O ATOM 1162 CB LEU A 74 0.331 -8.128 -1.096 1.00 0.00 C ATOM 1163 CG LEU A 74 -0.823 -7.404 -1.790 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -0.712 -5.904 -1.604 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -0.851 -7.757 -3.266 1.00 0.00 C ATOM 0 H LEU A 74 -1.180 -9.449 0.362 1.00 0.00 H new ATOM 0 HA LEU A 74 0.072 -9.950 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.363 -7.821 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.270 -7.812 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.757 -7.731 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.545 -5.412 -2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.739 -5.666 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.228 -5.553 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.677 -7.235 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.089 -7.457 -3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.985 -8.833 -3.380 1.00 0.00 H new ATOM 1177 N ALA A 75 1.533 -10.803 0.521 1.00 0.00 N ATOM 1178 CA ALA A 75 2.669 -11.539 1.049 1.00 0.00 C ATOM 1179 C ALA A 75 2.704 -12.947 0.469 1.00 0.00 C ATOM 1180 O ALA A 75 3.694 -13.667 0.619 1.00 0.00 O ATOM 1181 CB ALA A 75 2.607 -11.594 2.567 1.00 0.00 C ATOM 0 H ALA A 75 0.750 -10.717 1.169 1.00 0.00 H new ATOM 0 HA ALA A 75 3.583 -11.020 0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.465 -12.149 2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.623 -10.581 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.688 -12.092 2.876 1.00 0.00 H new ATOM 1187 N GLU A 76 1.604 -13.316 -0.192 1.00 0.00 N ATOM 1188 CA GLU A 76 1.431 -14.630 -0.808 1.00 0.00 C ATOM 1189 C GLU A 76 1.302 -15.706 0.265 1.00 0.00 C ATOM 1190 O GLU A 76 0.232 -16.289 0.441 1.00 0.00 O ATOM 1191 CB GLU A 76 2.574 -14.933 -1.789 1.00 0.00 C ATOM 1192 CG GLU A 76 2.278 -16.069 -2.756 1.00 0.00 C ATOM 1193 CD GLU A 76 2.920 -17.377 -2.349 1.00 0.00 C ATOM 1194 OE1 GLU A 76 2.291 -18.153 -1.604 1.00 0.00 O ATOM 1195 OE2 GLU A 76 4.069 -17.630 -2.775 1.00 0.00 O ATOM 0 H GLU A 76 0.799 -12.701 -0.315 1.00 0.00 H new ATOM 0 HA GLU A 76 0.507 -14.626 -1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.796 -14.032 -2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.471 -15.179 -1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.199 -16.207 -2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.629 -15.793 -3.750 1.00 0.00 H new ATOM 1202 N HIS A 77 2.374 -15.949 0.999 1.00 0.00 N ATOM 1203 CA HIS A 77 2.331 -16.893 2.109 1.00 0.00 C ATOM 1204 C HIS A 77 1.908 -16.191 3.392 1.00 0.00 C ATOM 1205 O HIS A 77 1.059 -16.686 4.133 1.00 0.00 O ATOM 1206 CB HIS A 77 3.689 -17.569 2.321 1.00 0.00 C ATOM 1207 CG HIS A 77 3.967 -18.686 1.367 1.00 0.00 C ATOM 1208 ND1 HIS A 77 3.500 -19.967 1.556 1.00 0.00 N ATOM 1209 CD2 HIS A 77 4.668 -18.710 0.211 1.00 0.00 C ATOM 1210 CE1 HIS A 77 3.902 -20.730 0.558 1.00 0.00 C ATOM 1211 NE2 HIS A 77 4.609 -19.994 -0.277 1.00 0.00 N ATOM 0 H HIS A 77 3.282 -15.509 0.850 1.00 0.00 H new ATOM 0 HA HIS A 77 1.598 -17.659 1.857 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.475 -16.820 2.226 1.00 0.00 H new ATOM 0 HB3 HIS A 77 3.737 -17.954 3.340 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.180 -17.875 -0.245 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.688 -21.782 0.444 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.040 -20.323 -1.141 1.00 0.00 H new ATOM 1220 N GLY A 78 2.489 -15.026 3.637 1.00 0.00 N ATOM 1221 CA GLY A 78 2.223 -14.309 4.867 1.00 0.00 C ATOM 1222 C GLY A 78 2.864 -14.997 6.050 1.00 0.00 C ATOM 1223 O GLY A 78 3.972 -15.519 5.924 1.00 0.00 O ATOM 0 H GLY A 78 3.142 -14.563 3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.602 -13.290 4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.147 -14.237 5.024 1.00 0.00 H new ATOM 1227 N LYS A 79 2.162 -14.992 7.187 1.00 0.00 N ATOM 1228 CA LYS A 79 2.586 -15.690 8.409 1.00 0.00 C ATOM 1229 C LYS A 79 3.812 -15.028 9.031 1.00 0.00 C ATOM 1230 O LYS A 79 3.754 -14.470 10.127 1.00 0.00 O ATOM 1231 CB LYS A 79 2.888 -17.168 8.120 1.00 0.00 C ATOM 1232 CG LYS A 79 1.735 -17.923 7.473 1.00 0.00 C ATOM 1233 CD LYS A 79 0.528 -18.002 8.386 1.00 0.00 C ATOM 1234 CE LYS A 79 -0.587 -18.818 7.756 1.00 0.00 C ATOM 1235 NZ LYS A 79 -1.742 -18.980 8.675 1.00 0.00 N ATOM 0 H LYS A 79 1.275 -14.499 7.288 1.00 0.00 H new ATOM 0 HA LYS A 79 1.761 -15.628 9.119 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.759 -17.229 7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.154 -17.663 9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.455 -17.429 6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.061 -18.930 7.214 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.817 -18.450 9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.168 -16.997 8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.919 -18.332 6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.205 -19.800 7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.481 -19.543 8.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.432 -19.467 9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.123 -18.044 8.922 1.00 0.00 H new ATOM 1249 N ASP A 80 4.909 -15.095 8.306 1.00 0.00 N ATOM 1250 CA ASP A 80 6.188 -14.560 8.749 1.00 0.00 C ATOM 1251 C ASP A 80 6.287 -13.078 8.424 1.00 0.00 C ATOM 1252 O ASP A 80 6.539 -12.257 9.307 1.00 0.00 O ATOM 1253 CB ASP A 80 7.327 -15.328 8.075 1.00 0.00 C ATOM 1254 CG ASP A 80 8.684 -14.690 8.283 1.00 0.00 C ATOM 1255 OD1 ASP A 80 9.319 -14.940 9.335 1.00 0.00 O ATOM 1256 OD2 ASP A 80 9.130 -13.957 7.383 1.00 0.00 O ATOM 0 H ASP A 80 4.942 -15.526 7.382 1.00 0.00 H new ATOM 0 HA ASP A 80 6.266 -14.679 9.830 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.349 -16.346 8.463 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.126 -15.398 7.006 1.00 0.00 H new ATOM 1261 N ALA A 81 6.105 -12.764 7.141 1.00 0.00 N ATOM 1262 CA ALA A 81 6.056 -11.385 6.647 1.00 0.00 C ATOM 1263 C ALA A 81 7.405 -10.664 6.748 1.00 0.00 C ATOM 1264 O ALA A 81 7.516 -9.509 6.356 1.00 0.00 O ATOM 1265 CB ALA A 81 4.973 -10.593 7.371 1.00 0.00 C ATOM 0 H ALA A 81 5.986 -13.464 6.409 1.00 0.00 H new ATOM 0 HA ALA A 81 5.811 -11.444 5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.953 -9.572 6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.004 -11.063 7.202 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.187 -10.577 8.440 1.00 0.00 H new ATOM 1271 N LEU A 82 8.433 -11.345 7.232 1.00 0.00 N ATOM 1272 CA LEU A 82 9.737 -10.717 7.403 1.00 0.00 C ATOM 1273 C LEU A 82 10.564 -10.852 6.130 1.00 0.00 C ATOM 1274 O LEU A 82 11.329 -9.958 5.773 1.00 0.00 O ATOM 1275 CB LEU A 82 10.482 -11.345 8.585 1.00 0.00 C ATOM 1276 CG LEU A 82 11.850 -10.730 8.897 1.00 0.00 C ATOM 1277 CD1 LEU A 82 11.698 -9.277 9.325 1.00 0.00 C ATOM 1278 CD2 LEU A 82 12.565 -11.536 9.971 1.00 0.00 C ATOM 0 H LEU A 82 8.392 -12.325 7.512 1.00 0.00 H new ATOM 0 HA LEU A 82 9.584 -9.658 7.609 1.00 0.00 H new ATOM 0 HB2 LEU A 82 9.855 -11.265 9.473 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.617 -12.408 8.385 1.00 0.00 H new ATOM 0 HG LEU A 82 12.455 -10.757 7.991 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.680 -8.857 9.542 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.230 -8.708 8.522 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.075 -9.224 10.218 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.535 -11.084 10.180 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.965 -11.543 10.881 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.708 -12.559 9.623 1.00 0.00 H new ATOM 1290 N LYS A 83 10.405 -11.975 5.442 1.00 0.00 N ATOM 1291 CA LYS A 83 11.144 -12.214 4.209 1.00 0.00 C ATOM 1292 C LYS A 83 10.332 -11.786 2.990 1.00 0.00 C ATOM 1293 O LYS A 83 10.754 -11.985 1.850 1.00 0.00 O ATOM 1294 CB LYS A 83 11.555 -13.689 4.082 1.00 0.00 C ATOM 1295 CG LYS A 83 12.552 -14.146 5.142 1.00 0.00 C ATOM 1296 CD LYS A 83 11.861 -14.526 6.439 1.00 0.00 C ATOM 1297 CE LYS A 83 12.853 -14.727 7.572 1.00 0.00 C ATOM 1298 NZ LYS A 83 12.182 -15.197 8.814 1.00 0.00 N ATOM 0 H LYS A 83 9.776 -12.730 5.714 1.00 0.00 H new ATOM 0 HA LYS A 83 12.050 -11.609 4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.662 -14.311 4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.989 -13.852 3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.116 -15.000 4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.271 -13.349 5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.150 -13.747 6.713 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.289 -15.442 6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.609 -15.452 7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.373 -13.790 7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.603 -14.721 9.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.167 -14.973 8.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.306 -16.225 8.908 1.00 0.00 H new ATOM 1312 N VAL A 84 9.178 -11.180 3.236 1.00 0.00 N ATOM 1313 CA VAL A 84 8.319 -10.695 2.164 1.00 0.00 C ATOM 1314 C VAL A 84 8.805 -9.332 1.691 1.00 0.00 C ATOM 1315 O VAL A 84 8.927 -8.413 2.493 1.00 0.00 O ATOM 1316 CB VAL A 84 6.850 -10.589 2.625 1.00 0.00 C ATOM 1317 CG1 VAL A 84 5.958 -10.123 1.484 1.00 0.00 C ATOM 1318 CG2 VAL A 84 6.372 -11.923 3.179 1.00 0.00 C ATOM 0 H VAL A 84 8.814 -11.012 4.174 1.00 0.00 H new ATOM 0 HA VAL A 84 8.368 -11.411 1.343 1.00 0.00 H new ATOM 0 HB VAL A 84 6.790 -9.846 3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.927 -10.056 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.290 -9.143 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.017 -10.836 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.334 -11.833 3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.447 -12.686 2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.992 -12.207 4.030 1.00 0.00 H new ATOM 1328 N THR A 85 9.064 -9.210 0.393 1.00 0.00 N ATOM 1329 CA THR A 85 9.679 -8.012 -0.181 1.00 0.00 C ATOM 1330 C THR A 85 8.952 -6.723 0.223 1.00 0.00 C ATOM 1331 O THR A 85 9.590 -5.764 0.646 1.00 0.00 O ATOM 1332 CB THR A 85 9.742 -8.117 -1.717 1.00 0.00 C ATOM 1333 OG1 THR A 85 10.381 -9.347 -2.088 1.00 0.00 O ATOM 1334 CG2 THR A 85 10.510 -6.948 -2.321 1.00 0.00 C ATOM 0 H THR A 85 8.855 -9.936 -0.292 1.00 0.00 H new ATOM 0 HA THR A 85 10.690 -7.957 0.223 1.00 0.00 H new ATOM 0 HB THR A 85 8.722 -8.093 -2.101 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.419 -9.414 -3.065 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.536 -7.052 -3.406 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.016 -6.013 -2.058 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.528 -6.942 -1.932 1.00 0.00 H new ATOM 1342 N ALA A 86 7.625 -6.707 0.104 1.00 0.00 N ATOM 1343 CA ALA A 86 6.835 -5.517 0.447 1.00 0.00 C ATOM 1344 C ALA A 86 7.106 -5.035 1.876 1.00 0.00 C ATOM 1345 O ALA A 86 7.252 -3.836 2.125 1.00 0.00 O ATOM 1346 CB ALA A 86 5.350 -5.801 0.268 1.00 0.00 C ATOM 0 H ALA A 86 7.073 -7.499 -0.225 1.00 0.00 H new ATOM 0 HA ALA A 86 7.139 -4.721 -0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.776 -4.911 0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.154 -6.072 -0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.056 -6.624 0.920 1.00 0.00 H new ATOM 1352 N LEU A 87 7.225 -5.975 2.798 1.00 0.00 N ATOM 1353 CA LEU A 87 7.347 -5.650 4.212 1.00 0.00 C ATOM 1354 C LEU A 87 8.818 -5.483 4.554 1.00 0.00 C ATOM 1355 O LEU A 87 9.201 -4.597 5.323 1.00 0.00 O ATOM 1356 CB LEU A 87 6.696 -6.756 5.061 1.00 0.00 C ATOM 1357 CG LEU A 87 6.409 -6.415 6.534 1.00 0.00 C ATOM 1358 CD1 LEU A 87 7.677 -6.432 7.374 1.00 0.00 C ATOM 1359 CD2 LEU A 87 5.728 -5.060 6.645 1.00 0.00 C ATOM 0 H LEU A 87 7.240 -6.974 2.593 1.00 0.00 H new ATOM 0 HA LEU A 87 6.829 -4.716 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.756 -7.040 4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.344 -7.632 5.034 1.00 0.00 H new ATOM 0 HG LEU A 87 5.741 -7.184 6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.432 -6.186 8.407 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.127 -7.424 7.334 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.382 -5.698 6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.533 -4.836 7.694 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.376 -4.291 6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.786 -5.080 6.097 1.00 0.00 H new ATOM 1371 N LYS A 88 9.636 -6.336 3.957 1.00 0.00 N ATOM 1372 CA LYS A 88 11.075 -6.240 4.084 1.00 0.00 C ATOM 1373 C LYS A 88 11.537 -4.856 3.665 1.00 0.00 C ATOM 1374 O LYS A 88 12.315 -4.225 4.367 1.00 0.00 O ATOM 1375 CB LYS A 88 11.762 -7.304 3.225 1.00 0.00 C ATOM 1376 CG LYS A 88 13.274 -7.152 3.159 1.00 0.00 C ATOM 1377 CD LYS A 88 13.892 -8.144 2.190 1.00 0.00 C ATOM 1378 CE LYS A 88 13.760 -9.571 2.689 1.00 0.00 C ATOM 1379 NZ LYS A 88 14.251 -10.551 1.687 1.00 0.00 N ATOM 0 H LYS A 88 9.319 -7.110 3.374 1.00 0.00 H new ATOM 0 HA LYS A 88 11.346 -6.409 5.126 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.522 -8.290 3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.357 -7.260 2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.525 -6.137 2.852 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.699 -7.299 4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.409 -8.052 1.217 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.946 -7.905 2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.322 -9.686 3.616 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.716 -9.780 2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 14.145 -11.515 2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 13.698 -10.458 0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.254 -10.367 1.484 1.00 0.00 H new ATOM 1393 N LYS A 89 11.023 -4.374 2.536 1.00 0.00 N ATOM 1394 CA LYS A 89 11.424 -3.066 2.027 1.00 0.00 C ATOM 1395 C LYS A 89 10.946 -1.962 2.948 1.00 0.00 C ATOM 1396 O LYS A 89 11.683 -1.014 3.209 1.00 0.00 O ATOM 1397 CB LYS A 89 10.901 -2.811 0.613 1.00 0.00 C ATOM 1398 CG LYS A 89 11.583 -3.644 -0.457 1.00 0.00 C ATOM 1399 CD LYS A 89 11.379 -3.034 -1.835 1.00 0.00 C ATOM 1400 CE LYS A 89 12.124 -1.714 -1.974 1.00 0.00 C ATOM 1401 NZ LYS A 89 11.899 -1.078 -3.300 1.00 0.00 N ATOM 0 H LYS A 89 10.336 -4.863 1.962 1.00 0.00 H new ATOM 0 HA LYS A 89 12.513 -3.065 1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.830 -3.015 0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.030 -1.755 0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.649 -3.717 -0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.185 -4.659 -0.442 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.725 -3.731 -2.598 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.315 -2.873 -2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 89 11.802 -1.032 -1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.191 -1.884 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.236 -0.094 -3.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.420 -1.604 -4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.883 -1.091 -3.523 1.00 0.00 H new ATOM 1415 N TYR A 90 9.720 -2.091 3.439 1.00 0.00 N ATOM 1416 CA TYR A 90 9.171 -1.123 4.379 1.00 0.00 C ATOM 1417 C TYR A 90 10.064 -1.013 5.614 1.00 0.00 C ATOM 1418 O TYR A 90 10.485 0.077 5.995 1.00 0.00 O ATOM 1419 CB TYR A 90 7.750 -1.528 4.788 1.00 0.00 C ATOM 1420 CG TYR A 90 7.014 -0.473 5.583 1.00 0.00 C ATOM 1421 CD1 TYR A 90 6.410 0.603 4.944 1.00 0.00 C ATOM 1422 CD2 TYR A 90 6.917 -0.551 6.966 1.00 0.00 C ATOM 1423 CE1 TYR A 90 5.731 1.568 5.658 1.00 0.00 C ATOM 1424 CE2 TYR A 90 6.238 0.411 7.689 1.00 0.00 C ATOM 1425 CZ TYR A 90 5.650 1.469 7.031 1.00 0.00 C ATOM 1426 OH TYR A 90 4.968 2.428 7.742 1.00 0.00 O ATOM 0 H TYR A 90 9.088 -2.856 3.202 1.00 0.00 H new ATOM 0 HA TYR A 90 9.132 -0.149 3.891 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.176 -1.758 3.890 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.800 -2.444 5.377 1.00 0.00 H new ATOM 0 HD1 TYR A 90 6.473 0.685 3.869 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.380 -1.377 7.485 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.265 2.396 5.145 1.00 0.00 H new ATOM 0 HE2 TYR A 90 6.169 0.334 8.764 1.00 0.00 H new ATOM 0 HH TYR A 90 5.003 2.213 8.698 1.00 0.00 H new ATOM 1436 N ARG A 91 10.374 -2.152 6.218 1.00 0.00 N ATOM 1437 CA ARG A 91 11.185 -2.181 7.428 1.00 0.00 C ATOM 1438 C ARG A 91 12.632 -1.785 7.132 1.00 0.00 C ATOM 1439 O ARG A 91 13.231 -0.991 7.858 1.00 0.00 O ATOM 1440 CB ARG A 91 11.156 -3.577 8.048 1.00 0.00 C ATOM 1441 CG ARG A 91 11.855 -3.648 9.393 1.00 0.00 C ATOM 1442 CD ARG A 91 12.077 -5.083 9.843 1.00 0.00 C ATOM 1443 NE ARG A 91 12.683 -5.141 11.175 1.00 0.00 N ATOM 1444 CZ ARG A 91 13.963 -4.868 11.429 1.00 0.00 C ATOM 1445 NH1 ARG A 91 14.791 -4.539 10.443 1.00 0.00 N ATOM 1446 NH2 ARG A 91 14.420 -4.931 12.673 1.00 0.00 N ATOM 0 H ARG A 91 10.075 -3.070 5.889 1.00 0.00 H new ATOM 0 HA ARG A 91 10.764 -1.461 8.130 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.120 -3.893 8.167 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.628 -4.282 7.363 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.815 -3.135 9.331 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.260 -3.122 10.139 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.125 -5.614 9.852 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.720 -5.594 9.127 1.00 0.00 H new ATOM 0 HE ARG A 91 12.087 -5.407 11.959 1.00 0.00 H new ATOM 0 HH11 ARG A 91 14.449 -4.494 9.483 1.00 0.00 H new ATOM 0 HH12 ARG A 91 15.769 -4.332 10.646 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.792 -5.188 13.435 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.399 -4.722 12.868 1.00 0.00 H new ATOM 1460 N GLN A 92 13.184 -2.345 6.061 1.00 0.00 N ATOM 1461 CA GLN A 92 14.572 -2.100 5.686 1.00 0.00 C ATOM 1462 C GLN A 92 14.792 -0.636 5.312 1.00 0.00 C ATOM 1463 O GLN A 92 15.883 -0.106 5.485 1.00 0.00 O ATOM 1464 CB GLN A 92 14.975 -3.012 4.519 1.00 0.00 C ATOM 1465 CG GLN A 92 16.366 -2.747 3.972 1.00 0.00 C ATOM 1466 CD GLN A 92 16.699 -3.636 2.792 1.00 0.00 C ATOM 1467 OE1 GLN A 92 17.270 -4.712 2.953 1.00 0.00 O ATOM 1468 NE2 GLN A 92 16.318 -3.204 1.599 1.00 0.00 N ATOM 0 H GLN A 92 12.687 -2.976 5.433 1.00 0.00 H new ATOM 0 HA GLN A 92 15.200 -2.327 6.548 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.918 -4.050 4.847 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.251 -2.893 3.713 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.442 -1.702 3.670 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.101 -2.905 4.762 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.846 -2.304 1.509 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.496 -3.771 0.770 1.00 0.00 H new ATOM 1477 N LEU A 93 13.755 0.014 4.806 1.00 0.00 N ATOM 1478 CA LEU A 93 13.852 1.422 4.439 1.00 0.00 C ATOM 1479 C LEU A 93 13.920 2.303 5.687 1.00 0.00 C ATOM 1480 O LEU A 93 14.687 3.268 5.732 1.00 0.00 O ATOM 1481 CB LEU A 93 12.668 1.819 3.553 1.00 0.00 C ATOM 1482 CG LEU A 93 12.596 3.298 3.168 1.00 0.00 C ATOM 1483 CD1 LEU A 93 13.797 3.686 2.315 1.00 0.00 C ATOM 1484 CD2 LEU A 93 11.295 3.593 2.434 1.00 0.00 C ATOM 0 H LEU A 93 12.841 -0.406 4.640 1.00 0.00 H new ATOM 0 HA LEU A 93 14.772 1.572 3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.706 1.226 2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.746 1.551 4.069 1.00 0.00 H new ATOM 0 HG LEU A 93 12.618 3.896 4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.730 4.741 2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.714 3.511 2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.808 3.084 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.259 4.649 2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.243 2.988 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.450 3.353 3.080 1.00 0.00 H new ATOM 1496 N LEU A 94 13.131 1.958 6.700 1.00 0.00 N ATOM 1497 CA LEU A 94 13.134 2.700 7.960 1.00 0.00 C ATOM 1498 C LEU A 94 14.427 2.452 8.730 1.00 0.00 C ATOM 1499 O LEU A 94 15.015 3.382 9.286 1.00 0.00 O ATOM 1500 CB LEU A 94 11.924 2.318 8.828 1.00 0.00 C ATOM 1501 CG LEU A 94 10.634 3.106 8.558 1.00 0.00 C ATOM 1502 CD1 LEU A 94 10.143 2.893 7.136 1.00 0.00 C ATOM 1503 CD2 LEU A 94 9.555 2.712 9.555 1.00 0.00 C ATOM 0 H LEU A 94 12.482 1.171 6.675 1.00 0.00 H new ATOM 0 HA LEU A 94 13.066 3.761 7.720 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.717 1.258 8.683 1.00 0.00 H new ATOM 0 HB3 LEU A 94 12.196 2.450 9.875 1.00 0.00 H new ATOM 0 HG LEU A 94 10.858 4.166 8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.228 3.464 6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.906 3.228 6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.941 1.834 6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.647 3.279 9.351 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.346 1.646 9.463 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.898 2.928 10.567 1.00 0.00 H new ATOM 1515 N GLU A 95 14.865 1.196 8.766 1.00 0.00 N ATOM 1516 CA GLU A 95 16.127 0.846 9.406 1.00 0.00 C ATOM 1517 C GLU A 95 17.280 1.454 8.612 1.00 0.00 C ATOM 1518 O GLU A 95 18.073 2.238 9.138 1.00 0.00 O ATOM 1519 CB GLU A 95 16.276 -0.680 9.491 1.00 0.00 C ATOM 1520 CG GLU A 95 17.496 -1.141 10.277 1.00 0.00 C ATOM 1521 CD GLU A 95 17.585 -2.651 10.380 1.00 0.00 C ATOM 1522 OE1 GLU A 95 16.937 -3.231 11.277 1.00 0.00 O ATOM 1523 OE2 GLU A 95 18.305 -3.268 9.572 1.00 0.00 O ATOM 0 H GLU A 95 14.364 0.406 8.360 1.00 0.00 H new ATOM 0 HA GLU A 95 16.142 1.245 10.420 1.00 0.00 H new ATOM 0 HB2 GLU A 95 15.381 -1.097 9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 95 16.333 -1.086 8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 95 18.398 -0.759 9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 95 17.461 -0.713 11.279 1.00 0.00 H new ATOM 1530 N HIS A 96 17.357 1.065 7.341 1.00 0.00 N ATOM 1531 CA HIS A 96 18.265 1.661 6.357 1.00 0.00 C ATOM 1532 C HIS A 96 19.732 1.318 6.629 1.00 0.00 C ATOM 1533 O HIS A 96 20.602 1.611 5.815 1.00 0.00 O ATOM 1534 CB HIS A 96 18.070 3.181 6.303 1.00 0.00 C ATOM 1535 CG HIS A 96 18.576 3.818 5.046 1.00 0.00 C ATOM 1536 ND1 HIS A 96 19.456 4.874 5.040 1.00 0.00 N ATOM 1537 CD2 HIS A 96 18.295 3.560 3.749 1.00 0.00 C ATOM 1538 CE1 HIS A 96 19.693 5.241 3.795 1.00 0.00 C ATOM 1539 NE2 HIS A 96 19.001 4.458 2.989 1.00 0.00 N ATOM 0 H HIS A 96 16.782 0.315 6.957 1.00 0.00 H new ATOM 0 HA HIS A 96 18.013 1.231 5.387 1.00 0.00 H new ATOM 0 HB2 HIS A 96 17.008 3.404 6.409 1.00 0.00 H new ATOM 0 HB3 HIS A 96 18.577 3.632 7.156 1.00 0.00 H new ATOM 0 HD2 HIS A 96 17.636 2.789 3.379 1.00 0.00 H new ATOM 0 HE1 HIS A 96 20.344 6.046 3.487 1.00 0.00 H new ATOM 0 HE2 HIS A 96 18.992 4.512 1.970 1.00 0.00 H new ATOM 1548 N HIS A 97 20.004 0.698 7.768 1.00 0.00 N ATOM 1549 CA HIS A 97 21.363 0.324 8.132 1.00 0.00 C ATOM 1550 C HIS A 97 21.386 -1.017 8.852 1.00 0.00 C ATOM 1551 O HIS A 97 20.772 -1.174 9.906 1.00 0.00 O ATOM 1552 CB HIS A 97 22.011 1.392 9.028 1.00 0.00 C ATOM 1553 CG HIS A 97 22.609 2.547 8.281 1.00 0.00 C ATOM 1554 ND1 HIS A 97 23.960 2.665 8.043 1.00 0.00 N ATOM 1555 CD2 HIS A 97 22.037 3.644 7.731 1.00 0.00 C ATOM 1556 CE1 HIS A 97 24.194 3.783 7.381 1.00 0.00 C ATOM 1557 NE2 HIS A 97 23.045 4.395 7.181 1.00 0.00 N ATOM 0 H HIS A 97 19.298 0.442 8.459 1.00 0.00 H new ATOM 0 HA HIS A 97 21.934 0.243 7.207 1.00 0.00 H new ATOM 0 HB2 HIS A 97 21.260 1.772 9.720 1.00 0.00 H new ATOM 0 HB3 HIS A 97 22.789 0.921 9.629 1.00 0.00 H new ATOM 0 HD2 HIS A 97 20.984 3.883 7.726 1.00 0.00 H new ATOM 0 HE1 HIS A 97 25.162 4.136 7.058 1.00 0.00 H new ATOM 0 HE2 HIS A 97 22.924 5.284 6.696 1.00 0.00 H new ATOM 1566 N HIS A 98 22.095 -1.980 8.275 1.00 0.00 N ATOM 1567 CA HIS A 98 22.322 -3.261 8.934 1.00 0.00 C ATOM 1568 C HIS A 98 23.538 -3.150 9.846 1.00 0.00 C ATOM 1569 O HIS A 98 23.983 -4.136 10.438 1.00 0.00 O ATOM 1570 CB HIS A 98 22.533 -4.384 7.913 1.00 0.00 C ATOM 1571 CG HIS A 98 21.319 -4.716 7.097 1.00 0.00 C ATOM 1572 ND1 HIS A 98 21.278 -4.597 5.727 1.00 0.00 N ATOM 1573 CD2 HIS A 98 20.110 -5.195 7.464 1.00 0.00 C ATOM 1574 CE1 HIS A 98 20.098 -4.989 5.286 1.00 0.00 C ATOM 1575 NE2 HIS A 98 19.367 -5.360 6.321 1.00 0.00 N ATOM 0 H HIS A 98 22.523 -1.898 7.353 1.00 0.00 H new ATOM 0 HA HIS A 98 21.439 -3.508 9.523 1.00 0.00 H new ATOM 0 HB2 HIS A 98 23.341 -4.099 7.240 1.00 0.00 H new ATOM 0 HB3 HIS A 98 22.858 -5.281 8.440 1.00 0.00 H new ATOM 0 HD2 HIS A 98 19.787 -5.409 8.472 1.00 0.00 H new ATOM 0 HE1 HIS A 98 19.783 -5.004 4.253 1.00 0.00 H new ATOM 0 HE2 HIS A 98 18.410 -5.711 6.279 1.00 0.00 H new ATOM 1584 N HIS A 99 24.080 -1.932 9.906 1.00 0.00 N ATOM 1585 CA HIS A 99 25.157 -1.553 10.820 1.00 0.00 C ATOM 1586 C HIS A 99 26.520 -2.054 10.339 1.00 0.00 C ATOM 1587 O HIS A 99 27.476 -1.283 10.283 1.00 0.00 O ATOM 1588 CB HIS A 99 24.877 -2.041 12.244 1.00 0.00 C ATOM 1589 CG HIS A 99 25.560 -1.224 13.295 1.00 0.00 C ATOM 1590 ND1 HIS A 99 24.947 -0.168 13.929 1.00 0.00 N ATOM 1591 CD2 HIS A 99 26.805 -1.304 13.823 1.00 0.00 C ATOM 1592 CE1 HIS A 99 25.780 0.365 14.798 1.00 0.00 C ATOM 1593 NE2 HIS A 99 26.914 -0.304 14.757 1.00 0.00 N ATOM 0 H HIS A 99 23.775 -1.165 9.307 1.00 0.00 H new ATOM 0 HA HIS A 99 25.191 -0.464 10.831 1.00 0.00 H new ATOM 0 HB2 HIS A 99 23.802 -2.023 12.422 1.00 0.00 H new ATOM 0 HB3 HIS A 99 25.198 -3.079 12.335 1.00 0.00 H new ATOM 0 HD2 HIS A 99 27.569 -2.020 13.559 1.00 0.00 H new ATOM 0 HE1 HIS A 99 25.569 1.209 15.437 1.00 0.00 H new ATOM 0 HE2 HIS A 99 27.738 -0.111 15.326 1.00 0.00 H new ATOM 1602 N HIS A 100 26.608 -3.333 10.005 1.00 0.00 N ATOM 1603 CA HIS A 100 27.861 -3.912 9.524 1.00 0.00 C ATOM 1604 C HIS A 100 27.599 -5.264 8.857 1.00 0.00 C ATOM 1605 O HIS A 100 28.428 -6.171 8.905 1.00 0.00 O ATOM 1606 CB HIS A 100 28.854 -4.065 10.687 1.00 0.00 C ATOM 1607 CG HIS A 100 30.262 -4.335 10.250 1.00 0.00 C ATOM 1608 ND1 HIS A 100 30.921 -5.512 10.524 1.00 0.00 N ATOM 1609 CD2 HIS A 100 31.140 -3.568 9.562 1.00 0.00 C ATOM 1610 CE1 HIS A 100 32.140 -5.459 10.027 1.00 0.00 C ATOM 1611 NE2 HIS A 100 32.300 -4.291 9.437 1.00 0.00 N ATOM 0 H HIS A 100 25.831 -3.991 10.057 1.00 0.00 H new ATOM 0 HA HIS A 100 28.297 -3.242 8.783 1.00 0.00 H new ATOM 0 HB2 HIS A 100 28.838 -3.156 11.288 1.00 0.00 H new ATOM 0 HB3 HIS A 100 28.521 -4.879 11.332 1.00 0.00 H new ATOM 0 HD2 HIS A 100 30.961 -2.573 9.182 1.00 0.00 H new ATOM 0 HE1 HIS A 100 32.883 -6.240 10.092 1.00 0.00 H new ATOM 0 HE2 HIS A 100 33.147 -3.976 8.965 1.00 0.00 H new ATOM 1620 N HIS A 101 26.451 -5.384 8.210 1.00 0.00 N ATOM 1621 CA HIS A 101 26.079 -6.627 7.552 1.00 0.00 C ATOM 1622 C HIS A 101 25.467 -6.323 6.188 1.00 0.00 C ATOM 1623 O HIS A 101 26.228 -6.009 5.253 1.00 0.00 O ATOM 1624 CB HIS A 101 25.103 -7.419 8.435 1.00 0.00 C ATOM 1625 CG HIS A 101 24.734 -8.770 7.896 1.00 0.00 C ATOM 1626 ND1 HIS A 101 25.542 -9.879 8.019 1.00 0.00 N ATOM 1627 CD2 HIS A 101 23.625 -9.190 7.241 1.00 0.00 C ATOM 1628 CE1 HIS A 101 24.948 -10.919 7.463 1.00 0.00 C ATOM 1629 NE2 HIS A 101 23.783 -10.528 6.984 1.00 0.00 N ATOM 1630 OXT HIS A 101 24.229 -6.380 6.061 1.00 0.00 O ATOM 0 H HIS A 101 25.761 -4.637 8.126 1.00 0.00 H new ATOM 0 HA HIS A 101 26.968 -7.240 7.401 1.00 0.00 H new ATOM 0 HB2 HIS A 101 25.546 -7.544 9.423 1.00 0.00 H new ATOM 0 HB3 HIS A 101 24.193 -6.833 8.566 1.00 0.00 H new ATOM 0 HD2 HIS A 101 22.773 -8.583 6.971 1.00 0.00 H new ATOM 0 HE1 HIS A 101 25.348 -11.921 7.410 1.00 0.00 H new ATOM 0 HE2 HIS A 101 23.110 -11.123 6.501 1.00 0.00 H new TER 1639 HIS A 101