USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 652 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: T 16 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: T 20 LYS NZ :NH3+ 163:sc=-0.00369 (180deg=-0.472) USER MOD Single : T 3 TYR OH : rot 30:sc= 0 USER MOD Single : T 4 HIS : no HE2:sc= -3.6! C(o=-3.6!,f=-3.9!) USER MOD Single : T 9 SER OG : rot -156:sc= -0.968 USER MOD Single : T 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 12 TYR OH : rot 180:sc= -0.186 USER MOD Single : T 13 LYS NZ :NH3+ 180:sc=-0.00579 (180deg=-0.00579) USER MOD Single : T 15 THR OG1 : rot 180:sc= -0.906 USER MOD Single : T 29 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-2.8!) USER MOD Single : T 32 THR OG1 : rot 180:sc= -0.434 USER MOD Single : T 33 TYR OH : rot 180:sc= 0 USER MOD Single : T 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 35 GLN : amide:sc= 0.0378 K(o=0.038,f=-2.6!) USER MOD Single : T 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 45 HIS :FLIP no HD1:sc= -6.72! C(o=-8.3!,f=-6.7!) USER MOD Single : T 47 CYS SG : rot 180:sc= -0.551 USER MOD Single : T 52 MET CE :methyl -117:sc= -2.18 (180deg=-4.39!) USER MOD Single : T 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 59 TYR OH : rot 180:sc= 0 USER MOD Single : T 73 THR OG1 : rot -9:sc= 0.642 USER MOD Single : T 78 TYR OH : rot 180:sc= 0 USER MOD Single : T 83 ASN : amide:sc= -5.56! C(o=-5.6!,f=-11!) USER MOD Single : T 85 SER OG : rot 180:sc= 0 USER MOD Single : T 91 TYR OH : rot 133:sc= -1.68 USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD Single : T 94 ASN : amide:sc= -0.708 K(o=-0.71,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 10 N VAL T 2 -9.046 2.354 6.844 1.00 0.00 N ATOM 11 CA VAL T 2 -8.071 2.198 5.775 1.00 0.00 C ATOM 12 C VAL T 2 -8.435 1.037 4.854 1.00 0.00 C ATOM 13 O VAL T 2 -8.986 0.030 5.297 1.00 0.00 O ATOM 14 CB VAL T 2 -6.660 1.965 6.345 1.00 0.00 C ATOM 15 CG1 VAL T 2 -6.694 0.924 7.451 1.00 0.00 C ATOM 16 CG2 VAL T 2 -5.694 1.556 5.245 1.00 0.00 C ATOM 0 HA VAL T 2 -8.080 3.123 5.199 1.00 0.00 H new ATOM 0 HB VAL T 2 -6.306 2.903 6.772 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -5.687 0.774 7.840 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -7.346 1.267 8.254 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -7.073 -0.017 7.053 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -4.704 1.397 5.671 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -6.042 0.633 4.780 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -5.643 2.344 4.494 1.00 0.00 H new ATOM 26 N TYR T 3 -8.118 1.188 3.572 1.00 0.00 N ATOM 27 CA TYR T 3 -8.408 0.154 2.586 1.00 0.00 C ATOM 28 C TYR T 3 -7.408 0.205 1.434 1.00 0.00 C ATOM 29 O TYR T 3 -6.471 1.003 1.448 1.00 0.00 O ATOM 30 CB TYR T 3 -9.833 0.309 2.050 1.00 0.00 C ATOM 31 CG TYR T 3 -10.116 1.670 1.452 1.00 0.00 C ATOM 32 CD1 TYR T 3 -10.300 2.783 2.264 1.00 0.00 C ATOM 33 CD2 TYR T 3 -10.201 1.841 0.077 1.00 0.00 C ATOM 34 CE1 TYR T 3 -10.562 4.027 1.720 1.00 0.00 C ATOM 35 CE2 TYR T 3 -10.461 3.081 -0.474 1.00 0.00 C ATOM 36 CZ TYR T 3 -10.641 4.170 0.351 1.00 0.00 C ATOM 37 OH TYR T 3 -10.902 5.407 -0.193 1.00 0.00 O ATOM 0 H TYR T 3 -7.660 2.017 3.192 1.00 0.00 H new ATOM 0 HA TYR T 3 -8.320 -0.815 3.078 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -10.011 -0.454 1.293 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -10.538 0.125 2.861 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -10.237 2.674 3.337 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -10.061 0.990 -0.573 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -10.704 4.882 2.364 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -10.523 3.196 -1.546 1.00 0.00 H new ATOM 0 HH TYR T 3 -10.546 6.105 0.396 1.00 0.00 H new ATOM 47 N HIS T 4 -7.612 -0.655 0.441 1.00 0.00 N ATOM 48 CA HIS T 4 -6.726 -0.713 -0.716 1.00 0.00 C ATOM 49 C HIS T 4 -7.272 0.125 -1.867 1.00 0.00 C ATOM 50 O HIS T 4 -8.479 0.343 -1.971 1.00 0.00 O ATOM 51 CB HIS T 4 -6.538 -2.162 -1.169 1.00 0.00 C ATOM 52 CG HIS T 4 -5.815 -2.294 -2.473 1.00 0.00 C ATOM 53 ND1 HIS T 4 -6.358 -2.923 -3.574 1.00 0.00 N ATOM 54 CD2 HIS T 4 -4.585 -1.872 -2.851 1.00 0.00 C ATOM 55 CE1 HIS T 4 -5.492 -2.883 -4.572 1.00 0.00 C ATOM 56 NE2 HIS T 4 -4.410 -2.250 -4.159 1.00 0.00 N ATOM 0 H HIS T 4 -8.384 -1.322 0.415 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.760 -0.303 -0.421 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -5.987 -2.705 -0.401 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -7.516 -2.636 -1.256 1.00 0.00 H new ATOM 0 HD1 HIS T 4 -7.283 -3.352 -3.612 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -3.874 -1.338 -2.238 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -5.644 -3.298 -5.558 1.00 0.00 H new ATOM 65 N ARG T 5 -6.373 0.592 -2.727 1.00 0.00 N ATOM 66 CA ARG T 5 -6.762 1.406 -3.872 1.00 0.00 C ATOM 67 C ARG T 5 -5.836 1.159 -5.060 1.00 0.00 C ATOM 68 O ARG T 5 -4.665 0.823 -4.888 1.00 0.00 O ATOM 69 CB ARG T 5 -6.739 2.889 -3.497 1.00 0.00 C ATOM 70 CG ARG T 5 -7.439 3.786 -4.504 1.00 0.00 C ATOM 71 CD ARG T 5 -8.947 3.779 -4.302 1.00 0.00 C ATOM 72 NE ARG T 5 -9.402 4.927 -3.525 1.00 0.00 N ATOM 73 CZ ARG T 5 -10.455 5.668 -3.853 1.00 0.00 C ATOM 74 NH1 ARG T 5 -11.157 5.383 -4.941 1.00 0.00 N ATOM 75 NH2 ARG T 5 -10.807 6.697 -3.093 1.00 0.00 N ATOM 0 H ARG T 5 -5.370 0.421 -2.653 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.774 1.122 -4.159 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -7.210 3.015 -2.522 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -5.703 3.212 -3.394 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -7.063 4.805 -4.409 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -7.205 3.452 -5.515 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -9.442 3.780 -5.273 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -9.240 2.860 -3.795 1.00 0.00 H new ATOM 0 HE ARG T 5 -8.883 5.175 -2.683 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -10.889 4.593 -5.528 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -11.965 5.953 -5.191 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -10.269 6.920 -2.256 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -11.616 7.265 -3.346 1.00 0.00 H new ATOM 89 N GLU T 6 -6.371 1.329 -6.265 1.00 0.00 N ATOM 90 CA GLU T 6 -5.595 1.128 -7.483 1.00 0.00 C ATOM 91 C GLU T 6 -5.543 2.409 -8.308 1.00 0.00 C ATOM 92 O GLU T 6 -6.209 3.394 -7.988 1.00 0.00 O ATOM 93 CB GLU T 6 -6.194 -0.010 -8.315 1.00 0.00 C ATOM 94 CG GLU T 6 -5.607 -0.128 -9.712 1.00 0.00 C ATOM 95 CD GLU T 6 -6.153 -1.318 -10.474 1.00 0.00 C ATOM 96 OE1 GLU T 6 -5.769 -2.460 -10.147 1.00 0.00 O ATOM 97 OE2 GLU T 6 -6.965 -1.109 -11.400 1.00 0.00 O ATOM 0 H GLU T 6 -7.340 1.606 -6.424 1.00 0.00 H new ATOM 0 HA GLU T 6 -4.578 0.859 -7.198 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -6.042 -0.951 -7.787 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -7.271 0.140 -8.396 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -5.819 0.784 -10.270 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -4.523 -0.213 -9.641 1.00 0.00 H new ATOM 104 N ALA T 7 -4.748 2.387 -9.369 1.00 0.00 N ATOM 105 CA ALA T 7 -4.605 3.545 -10.243 1.00 0.00 C ATOM 106 C ALA T 7 -5.769 3.640 -11.222 1.00 0.00 C ATOM 107 O ALA T 7 -6.464 2.656 -11.473 1.00 0.00 O ATOM 108 CB ALA T 7 -3.285 3.478 -10.996 1.00 0.00 C ATOM 0 H ALA T 7 -4.191 1.579 -9.646 1.00 0.00 H new ATOM 0 HA ALA T 7 -4.612 4.441 -9.622 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -3.192 4.349 -11.645 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.460 3.466 -10.284 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -3.256 2.571 -11.600 1.00 0.00 H new ATOM 114 N ARG T 8 -5.977 4.831 -11.772 1.00 0.00 N ATOM 115 CA ARG T 8 -7.057 5.055 -12.725 1.00 0.00 C ATOM 116 C ARG T 8 -6.879 4.182 -13.961 1.00 0.00 C ATOM 117 O ARG T 8 -7.852 3.807 -14.615 1.00 0.00 O ATOM 118 CB ARG T 8 -7.111 6.530 -13.130 1.00 0.00 C ATOM 119 CG ARG T 8 -7.753 7.427 -12.085 1.00 0.00 C ATOM 120 CD ARG T 8 -9.264 7.486 -12.244 1.00 0.00 C ATOM 121 NE ARG T 8 -9.686 8.653 -13.013 1.00 0.00 N ATOM 122 CZ ARG T 8 -9.870 9.858 -12.482 1.00 0.00 C ATOM 123 NH1 ARG T 8 -9.673 10.050 -11.185 1.00 0.00 N ATOM 124 NH2 ARG T 8 -10.253 10.870 -13.247 1.00 0.00 N ATOM 0 H ARG T 8 -5.412 5.656 -11.574 1.00 0.00 H new ATOM 0 HA ARG T 8 -7.996 4.784 -12.243 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -6.098 6.882 -13.325 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -7.665 6.621 -14.064 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -7.506 7.059 -11.089 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -7.339 8.432 -12.165 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -9.612 6.580 -12.739 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -9.732 7.511 -11.260 1.00 0.00 H new ATOM 0 HE ARG T 8 -9.849 8.538 -14.013 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -9.380 9.273 -10.593 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -9.815 10.975 -10.779 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -10.407 10.725 -14.245 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -10.394 11.794 -12.838 1.00 0.00 H new ATOM 138 N SER T 9 -5.629 3.859 -14.274 1.00 0.00 N ATOM 139 CA SER T 9 -5.321 3.027 -15.430 1.00 0.00 C ATOM 140 C SER T 9 -5.266 1.555 -15.041 1.00 0.00 C ATOM 141 O SER T 9 -5.888 0.708 -15.682 1.00 0.00 O ATOM 142 CB SER T 9 -3.990 3.454 -16.052 1.00 0.00 C ATOM 143 OG SER T 9 -3.113 3.978 -15.070 1.00 0.00 O ATOM 0 H SER T 9 -4.812 4.161 -13.743 1.00 0.00 H new ATOM 0 HA SER T 9 -6.115 3.160 -16.164 1.00 0.00 H new ATOM 0 HB2 SER T 9 -3.523 2.600 -16.542 1.00 0.00 H new ATOM 0 HB3 SER T 9 -4.169 4.205 -16.822 1.00 0.00 H new ATOM 0 HG SER T 9 -2.462 4.574 -15.497 1.00 0.00 H new ATOM 149 N GLY T 10 -4.515 1.259 -13.988 1.00 0.00 N ATOM 150 CA GLY T 10 -4.385 -0.107 -13.529 1.00 0.00 C ATOM 151 C GLY T 10 -3.416 -0.240 -12.370 1.00 0.00 C ATOM 152 O GLY T 10 -2.756 0.726 -11.989 1.00 0.00 O ATOM 0 H GLY T 10 -3.992 1.945 -13.443 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -5.363 -0.480 -13.225 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -4.048 -0.734 -14.354 1.00 0.00 H new ATOM 156 N LYS T 11 -3.330 -1.444 -11.812 1.00 0.00 N ATOM 157 CA LYS T 11 -2.434 -1.708 -10.690 1.00 0.00 C ATOM 158 C LYS T 11 -0.980 -1.499 -11.097 1.00 0.00 C ATOM 159 O LYS T 11 -0.669 -1.369 -12.281 1.00 0.00 O ATOM 160 CB LYS T 11 -2.634 -3.136 -10.180 1.00 0.00 C ATOM 161 CG LYS T 11 -1.946 -3.406 -8.851 1.00 0.00 C ATOM 162 CD LYS T 11 -2.148 -4.844 -8.402 1.00 0.00 C ATOM 163 CE LYS T 11 -1.033 -5.748 -8.903 1.00 0.00 C ATOM 164 NZ LYS T 11 -1.427 -7.183 -8.879 1.00 0.00 N ATOM 0 H LYS T 11 -3.870 -2.253 -12.119 1.00 0.00 H new ATOM 0 HA LYS T 11 -2.672 -1.007 -9.890 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -3.701 -3.329 -10.074 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -2.256 -3.836 -10.925 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -0.880 -3.199 -8.943 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -2.338 -2.728 -8.093 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -2.188 -4.884 -7.313 1.00 0.00 H new ATOM 0 HD3 LYS T 11 -3.107 -5.210 -8.770 1.00 0.00 H new ATOM 0 HE2 LYS T 11 -0.764 -5.463 -9.920 1.00 0.00 H new ATOM 0 HE3 LYS T 11 -0.146 -5.605 -8.287 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 -0.639 -7.765 -9.228 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -1.659 -7.463 -7.905 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 -2.258 -7.325 -9.487 1.00 0.00 H new ATOM 178 N TYR T 12 -0.091 -1.470 -10.107 1.00 0.00 N ATOM 179 CA TYR T 12 1.332 -1.277 -10.361 1.00 0.00 C ATOM 180 C TYR T 12 1.558 -0.131 -11.340 1.00 0.00 C ATOM 181 O TYR T 12 2.307 -0.264 -12.308 1.00 0.00 O ATOM 182 CB TYR T 12 1.956 -2.563 -10.905 1.00 0.00 C ATOM 183 CG TYR T 12 2.191 -3.619 -9.847 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.703 -3.460 -8.556 1.00 0.00 C ATOM 185 CD2 TYR T 12 2.904 -4.776 -10.139 1.00 0.00 C ATOM 186 CE1 TYR T 12 1.916 -4.423 -7.587 1.00 0.00 C ATOM 187 CE2 TYR T 12 3.122 -5.743 -9.177 1.00 0.00 C ATOM 188 CZ TYR T 12 2.626 -5.562 -7.903 1.00 0.00 C ATOM 189 OH TYR T 12 2.841 -6.523 -6.942 1.00 0.00 O ATOM 0 H TYR T 12 -0.332 -1.578 -9.122 1.00 0.00 H new ATOM 0 HA TYR T 12 1.813 -1.023 -9.416 1.00 0.00 H new ATOM 0 HB2 TYR T 12 1.306 -2.973 -11.678 1.00 0.00 H new ATOM 0 HB3 TYR T 12 2.906 -2.322 -11.383 1.00 0.00 H new ATOM 0 HD1 TYR T 12 1.147 -2.569 -8.305 1.00 0.00 H new ATOM 0 HD2 TYR T 12 3.294 -4.921 -11.135 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.529 -4.284 -6.589 1.00 0.00 H new ATOM 0 HE2 TYR T 12 3.678 -6.636 -9.421 1.00 0.00 H new ATOM 0 HH TYR T 12 3.357 -7.262 -7.328 1.00 0.00 H new ATOM 199 N LYS T 13 0.896 0.992 -11.086 1.00 0.00 N ATOM 200 CA LYS T 13 1.012 2.159 -11.941 1.00 0.00 C ATOM 201 C LYS T 13 0.979 3.442 -11.114 1.00 0.00 C ATOM 202 O LYS T 13 1.014 4.545 -11.658 1.00 0.00 O ATOM 203 CB LYS T 13 -0.128 2.166 -12.955 1.00 0.00 C ATOM 204 CG LYS T 13 0.250 1.575 -14.304 1.00 0.00 C ATOM 205 CD LYS T 13 -0.420 2.318 -15.448 1.00 0.00 C ATOM 206 CE LYS T 13 -1.233 1.378 -16.324 1.00 0.00 C ATOM 207 NZ LYS T 13 -1.241 1.812 -17.748 1.00 0.00 N ATOM 0 H LYS T 13 0.271 1.115 -10.289 1.00 0.00 H new ATOM 0 HA LYS T 13 1.967 2.113 -12.465 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -0.969 1.607 -12.546 1.00 0.00 H new ATOM 0 HB3 LYS T 13 -0.467 3.192 -13.100 1.00 0.00 H new ATOM 0 HG2 LYS T 13 1.332 1.614 -14.428 1.00 0.00 H new ATOM 0 HG3 LYS T 13 -0.037 0.524 -14.335 1.00 0.00 H new ATOM 0 HD2 LYS T 13 -1.070 3.096 -15.047 1.00 0.00 H new ATOM 0 HD3 LYS T 13 0.338 2.816 -16.053 1.00 0.00 H new ATOM 0 HE2 LYS T 13 -0.822 0.371 -16.254 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -2.257 1.331 -15.953 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -1.806 1.145 -18.311 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 -1.656 2.763 -17.819 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 -0.266 1.832 -18.110 1.00 0.00 H new ATOM 221 N LEU T 14 0.903 3.287 -9.795 1.00 0.00 N ATOM 222 CA LEU T 14 0.856 4.429 -8.889 1.00 0.00 C ATOM 223 C LEU T 14 2.194 4.644 -8.192 1.00 0.00 C ATOM 224 O LEU T 14 2.845 3.692 -7.761 1.00 0.00 O ATOM 225 CB LEU T 14 -0.237 4.223 -7.841 1.00 0.00 C ATOM 226 CG LEU T 14 -1.636 4.683 -8.254 1.00 0.00 C ATOM 227 CD1 LEU T 14 -2.696 3.891 -7.504 1.00 0.00 C ATOM 228 CD2 LEU T 14 -1.802 6.174 -8.005 1.00 0.00 C ATOM 0 H LEU T 14 0.873 2.380 -9.330 1.00 0.00 H new ATOM 0 HA LEU T 14 0.634 5.315 -9.484 1.00 0.00 H new ATOM 0 HB2 LEU T 14 -0.281 3.163 -7.590 1.00 0.00 H new ATOM 0 HB3 LEU T 14 0.049 4.754 -6.933 1.00 0.00 H new ATOM 0 HG LEU T 14 -1.761 4.500 -9.321 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -3.686 4.230 -7.808 1.00 0.00 H new ATOM 0 HD12 LEU T 14 -2.588 2.831 -7.734 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -2.574 4.044 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -2.803 6.484 -8.305 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -1.659 6.384 -6.945 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -1.063 6.725 -8.587 1.00 0.00 H new ATOM 240 N THR T 15 2.584 5.907 -8.071 1.00 0.00 N ATOM 241 CA THR T 15 3.830 6.266 -7.410 1.00 0.00 C ATOM 242 C THR T 15 3.536 6.906 -6.060 1.00 0.00 C ATOM 243 O THR T 15 2.499 7.543 -5.889 1.00 0.00 O ATOM 244 CB THR T 15 4.664 7.240 -8.262 1.00 0.00 C ATOM 245 OG1 THR T 15 4.069 8.543 -8.239 1.00 0.00 O ATOM 246 CG2 THR T 15 4.769 6.751 -9.698 1.00 0.00 C ATOM 0 H THR T 15 2.052 6.702 -8.424 1.00 0.00 H new ATOM 0 HA THR T 15 4.406 5.351 -7.273 1.00 0.00 H new ATOM 0 HB THR T 15 5.667 7.291 -7.839 1.00 0.00 H new ATOM 0 HG1 THR T 15 4.606 9.157 -8.782 1.00 0.00 H new ATOM 0 HG21 THR T 15 5.363 7.456 -10.280 1.00 0.00 H new ATOM 0 HG22 THR T 15 5.248 5.772 -9.715 1.00 0.00 H new ATOM 0 HG23 THR T 15 3.771 6.674 -10.130 1.00 0.00 H new ATOM 254 N TYR T 16 4.439 6.733 -5.103 1.00 0.00 N ATOM 255 CA TYR T 16 4.248 7.300 -3.773 1.00 0.00 C ATOM 256 C TYR T 16 3.517 8.637 -3.847 1.00 0.00 C ATOM 257 O TYR T 16 2.622 8.912 -3.049 1.00 0.00 O ATOM 258 CB TYR T 16 5.590 7.483 -3.068 1.00 0.00 C ATOM 259 CG TYR T 16 5.486 8.243 -1.766 1.00 0.00 C ATOM 260 CD1 TYR T 16 4.858 7.682 -0.660 1.00 0.00 C ATOM 261 CD2 TYR T 16 6.013 9.522 -1.644 1.00 0.00 C ATOM 262 CE1 TYR T 16 4.759 8.377 0.531 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.917 10.222 -0.457 1.00 0.00 C ATOM 264 CZ TYR T 16 5.291 9.645 0.628 1.00 0.00 C ATOM 265 OH TYR T 16 5.195 10.339 1.812 1.00 0.00 O ATOM 0 H TYR T 16 5.306 6.208 -5.221 1.00 0.00 H new ATOM 0 HA TYR T 16 3.638 6.602 -3.200 1.00 0.00 H new ATOM 0 HB2 TYR T 16 6.027 6.503 -2.874 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.273 8.010 -3.734 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.441 6.688 -0.732 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.506 9.977 -2.491 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.267 7.929 1.382 1.00 0.00 H new ATOM 0 HE2 TYR T 16 6.330 11.217 -0.379 1.00 0.00 H new ATOM 0 HH TYR T 16 5.621 11.216 1.713 1.00 0.00 H new ATOM 275 N ALA T 17 3.909 9.465 -4.810 1.00 0.00 N ATOM 276 CA ALA T 17 3.294 10.775 -4.987 1.00 0.00 C ATOM 277 C ALA T 17 1.884 10.655 -5.560 1.00 0.00 C ATOM 278 O ALA T 17 0.970 11.353 -5.122 1.00 0.00 O ATOM 279 CB ALA T 17 4.163 11.645 -5.882 1.00 0.00 C ATOM 0 H ALA T 17 4.649 9.252 -5.479 1.00 0.00 H new ATOM 0 HA ALA T 17 3.213 11.246 -4.007 1.00 0.00 H new ATOM 0 HB1 ALA T 17 3.694 12.621 -6.007 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.145 11.770 -5.425 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.274 11.168 -6.856 1.00 0.00 H new ATOM 285 N GLU T 18 1.708 9.762 -6.533 1.00 0.00 N ATOM 286 CA GLU T 18 0.407 9.554 -7.145 1.00 0.00 C ATOM 287 C GLU T 18 -0.537 8.893 -6.151 1.00 0.00 C ATOM 288 O GLU T 18 -1.692 9.293 -6.006 1.00 0.00 O ATOM 289 CB GLU T 18 0.551 8.685 -8.393 1.00 0.00 C ATOM 290 CG GLU T 18 1.333 9.356 -9.510 1.00 0.00 C ATOM 291 CD GLU T 18 1.434 8.493 -10.752 1.00 0.00 C ATOM 292 OE1 GLU T 18 1.697 7.280 -10.613 1.00 0.00 O ATOM 293 OE2 GLU T 18 1.250 9.030 -11.865 1.00 0.00 O ATOM 0 H GLU T 18 2.452 9.175 -6.910 1.00 0.00 H new ATOM 0 HA GLU T 18 -0.008 10.520 -7.434 1.00 0.00 H new ATOM 0 HB2 GLU T 18 1.047 7.753 -8.122 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.441 8.423 -8.761 1.00 0.00 H new ATOM 0 HG2 GLU T 18 0.854 10.301 -9.767 1.00 0.00 H new ATOM 0 HG3 GLU T 18 2.336 9.593 -9.155 1.00 0.00 H new ATOM 300 N ALA T 19 -0.023 7.881 -5.462 1.00 0.00 N ATOM 301 CA ALA T 19 -0.791 7.155 -4.465 1.00 0.00 C ATOM 302 C ALA T 19 -1.337 8.105 -3.404 1.00 0.00 C ATOM 303 O ALA T 19 -2.464 7.950 -2.936 1.00 0.00 O ATOM 304 CB ALA T 19 0.080 6.088 -3.823 1.00 0.00 C ATOM 0 H ALA T 19 0.933 7.544 -5.580 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.638 6.676 -4.957 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.500 5.546 -3.076 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.427 5.393 -4.588 1.00 0.00 H new ATOM 0 HB3 ALA T 19 0.939 6.559 -3.344 1.00 0.00 H new ATOM 310 N LYS T 20 -0.523 9.089 -3.034 1.00 0.00 N ATOM 311 CA LYS T 20 -0.913 10.072 -2.032 1.00 0.00 C ATOM 312 C LYS T 20 -1.876 11.091 -2.622 1.00 0.00 C ATOM 313 O LYS T 20 -2.807 11.539 -1.955 1.00 0.00 O ATOM 314 CB LYS T 20 0.327 10.782 -1.488 1.00 0.00 C ATOM 315 CG LYS T 20 0.127 11.395 -0.112 1.00 0.00 C ATOM 316 CD LYS T 20 1.443 11.530 0.638 1.00 0.00 C ATOM 317 CE LYS T 20 1.219 11.784 2.119 1.00 0.00 C ATOM 318 NZ LYS T 20 1.428 10.556 2.934 1.00 0.00 N ATOM 0 H LYS T 20 0.413 9.226 -3.415 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.417 9.552 -1.217 1.00 0.00 H new ATOM 0 HB2 LYS T 20 1.151 10.070 -1.442 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.621 11.566 -2.186 1.00 0.00 H new ATOM 0 HG2 LYS T 20 -0.336 12.376 -0.214 1.00 0.00 H new ATOM 0 HG3 LYS T 20 -0.560 10.777 0.466 1.00 0.00 H new ATOM 0 HD2 LYS T 20 2.031 10.621 0.509 1.00 0.00 H new ATOM 0 HD3 LYS T 20 2.023 12.348 0.212 1.00 0.00 H new ATOM 0 HE2 LYS T 20 1.899 12.565 2.460 1.00 0.00 H new ATOM 0 HE3 LYS T 20 0.205 12.154 2.274 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 1.551 10.819 3.933 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 0.601 9.932 2.840 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 2.278 10.058 2.600 1.00 0.00 H new ATOM 332 N ALA T 21 -1.647 11.454 -3.879 1.00 0.00 N ATOM 333 CA ALA T 21 -2.500 12.422 -4.557 1.00 0.00 C ATOM 334 C ALA T 21 -3.943 11.937 -4.612 1.00 0.00 C ATOM 335 O ALA T 21 -4.876 12.722 -4.463 1.00 0.00 O ATOM 336 CB ALA T 21 -1.981 12.698 -5.960 1.00 0.00 C ATOM 0 H ALA T 21 -0.880 11.094 -4.447 1.00 0.00 H new ATOM 0 HA ALA T 21 -2.476 13.350 -3.986 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -2.630 13.423 -6.452 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -0.969 13.098 -5.901 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -1.972 11.771 -6.534 1.00 0.00 H new ATOM 342 N VAL T 22 -4.118 10.638 -4.829 1.00 0.00 N ATOM 343 CA VAL T 22 -5.450 10.047 -4.909 1.00 0.00 C ATOM 344 C VAL T 22 -6.064 9.872 -3.524 1.00 0.00 C ATOM 345 O VAL T 22 -7.182 10.321 -3.269 1.00 0.00 O ATOM 346 CB VAL T 22 -5.415 8.681 -5.620 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.629 7.846 -5.241 1.00 0.00 C ATOM 348 CG2 VAL T 22 -5.336 8.866 -7.128 1.00 0.00 C ATOM 0 H VAL T 22 -3.354 9.973 -4.953 1.00 0.00 H new ATOM 0 HA VAL T 22 -6.065 10.736 -5.488 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.522 8.147 -5.294 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.584 6.885 -5.754 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.636 7.682 -4.163 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.538 8.372 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -5.312 7.890 -7.614 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -6.208 9.422 -7.473 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.431 9.419 -7.380 1.00 0.00 H new ATOM 358 N CYS T 23 -5.330 9.213 -2.638 1.00 0.00 N ATOM 359 CA CYS T 23 -5.803 8.972 -1.282 1.00 0.00 C ATOM 360 C CYS T 23 -5.985 10.282 -0.524 1.00 0.00 C ATOM 361 O CYS T 23 -6.821 10.379 0.374 1.00 0.00 O ATOM 362 CB CYS T 23 -4.827 8.063 -0.539 1.00 0.00 C ATOM 363 SG CYS T 23 -4.907 6.317 -1.054 1.00 0.00 S ATOM 0 H CYS T 23 -4.403 8.835 -2.834 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.773 8.479 -1.343 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -3.813 8.431 -0.694 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -5.029 8.126 0.530 1.00 0.00 H new ATOM 368 N GLU T 24 -5.203 11.290 -0.895 1.00 0.00 N ATOM 369 CA GLU T 24 -5.288 12.598 -0.252 1.00 0.00 C ATOM 370 C GLU T 24 -6.117 13.552 -1.102 1.00 0.00 C ATOM 371 O GLU T 24 -6.460 14.653 -0.669 1.00 0.00 O ATOM 372 CB GLU T 24 -3.890 13.177 -0.024 1.00 0.00 C ATOM 373 CG GLU T 24 -3.880 14.433 0.831 1.00 0.00 C ATOM 374 CD GLU T 24 -2.495 14.782 1.340 1.00 0.00 C ATOM 375 OE1 GLU T 24 -1.666 15.249 0.532 1.00 0.00 O ATOM 376 OE2 GLU T 24 -2.241 14.590 2.548 1.00 0.00 O ATOM 0 H GLU T 24 -4.504 11.228 -1.636 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.775 12.474 0.715 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -3.266 12.420 0.451 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -3.438 13.402 -0.990 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -4.270 15.268 0.248 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -4.551 14.296 1.679 1.00 0.00 H new ATOM 383 N PHE T 25 -6.435 13.114 -2.314 1.00 0.00 N ATOM 384 CA PHE T 25 -7.226 13.914 -3.240 1.00 0.00 C ATOM 385 C PHE T 25 -8.503 14.413 -2.574 1.00 0.00 C ATOM 386 O PHE T 25 -8.892 15.570 -2.741 1.00 0.00 O ATOM 387 CB PHE T 25 -7.571 13.085 -4.477 1.00 0.00 C ATOM 388 CG PHE T 25 -7.568 13.877 -5.753 1.00 0.00 C ATOM 389 CD1 PHE T 25 -6.374 14.239 -6.353 1.00 0.00 C ATOM 390 CD2 PHE T 25 -8.758 14.257 -6.353 1.00 0.00 C ATOM 391 CE1 PHE T 25 -6.364 14.966 -7.527 1.00 0.00 C ATOM 392 CE2 PHE T 25 -8.755 14.984 -7.529 1.00 0.00 C ATOM 393 CZ PHE T 25 -7.555 15.339 -8.117 1.00 0.00 C ATOM 0 H PHE T 25 -6.155 12.204 -2.680 1.00 0.00 H new ATOM 0 HA PHE T 25 -6.636 14.780 -3.538 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -6.857 12.266 -4.566 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -8.555 12.636 -4.340 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -5.439 13.949 -5.897 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -9.698 13.982 -5.897 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -5.425 15.243 -7.983 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -9.689 15.274 -7.988 1.00 0.00 H new ATOM 0 HZ PHE T 25 -7.549 15.907 -9.036 1.00 0.00 H new ATOM 403 N GLU T 26 -9.148 13.532 -1.820 1.00 0.00 N ATOM 404 CA GLU T 26 -10.384 13.878 -1.125 1.00 0.00 C ATOM 405 C GLU T 26 -10.139 14.047 0.369 1.00 0.00 C ATOM 406 O GLU T 26 -10.738 13.356 1.192 1.00 0.00 O ATOM 407 CB GLU T 26 -11.442 12.805 -1.368 1.00 0.00 C ATOM 408 CG GLU T 26 -11.552 12.390 -2.824 1.00 0.00 C ATOM 409 CD GLU T 26 -12.633 11.354 -3.056 1.00 0.00 C ATOM 410 OE1 GLU T 26 -12.621 10.316 -2.362 1.00 0.00 O ATOM 411 OE2 GLU T 26 -13.494 11.581 -3.933 1.00 0.00 O ATOM 0 H GLU T 26 -8.837 12.572 -1.673 1.00 0.00 H new ATOM 0 HA GLU T 26 -10.744 14.828 -1.521 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -11.206 11.929 -0.764 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.410 13.175 -1.029 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -11.760 13.269 -3.434 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.594 11.991 -3.157 1.00 0.00 H new ATOM 418 N GLY T 27 -9.253 14.976 0.705 1.00 0.00 N ATOM 419 CA GLY T 27 -8.934 15.236 2.095 1.00 0.00 C ATOM 420 C GLY T 27 -8.609 13.967 2.857 1.00 0.00 C ATOM 421 O GLY T 27 -8.903 13.856 4.047 1.00 0.00 O ATOM 0 H GLY T 27 -8.748 15.557 0.036 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -8.085 15.917 2.149 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -9.776 15.738 2.571 1.00 0.00 H new ATOM 425 N GLY T 28 -8.000 13.007 2.169 1.00 0.00 N ATOM 426 CA GLY T 28 -7.645 11.750 2.802 1.00 0.00 C ATOM 427 C GLY T 28 -6.144 11.611 2.963 1.00 0.00 C ATOM 428 O GLY T 28 -5.400 12.575 2.782 1.00 0.00 O ATOM 0 H GLY T 28 -7.746 13.077 1.184 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -8.124 11.686 3.779 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -8.026 10.921 2.205 1.00 0.00 H new ATOM 432 N HIS T 29 -5.697 10.406 3.305 1.00 0.00 N ATOM 433 CA HIS T 29 -4.277 10.141 3.491 1.00 0.00 C ATOM 434 C HIS T 29 -3.960 8.683 3.186 1.00 0.00 C ATOM 435 O HIS T 29 -4.690 7.783 3.599 1.00 0.00 O ATOM 436 CB HIS T 29 -3.855 10.473 4.924 1.00 0.00 C ATOM 437 CG HIS T 29 -4.990 10.924 5.793 1.00 0.00 C ATOM 438 ND1 HIS T 29 -5.511 12.200 5.746 1.00 0.00 N ATOM 439 CD2 HIS T 29 -5.706 10.262 6.735 1.00 0.00 C ATOM 440 CE1 HIS T 29 -6.496 12.305 6.620 1.00 0.00 C ATOM 441 NE2 HIS T 29 -6.634 11.143 7.231 1.00 0.00 N ATOM 0 H HIS T 29 -6.300 9.598 3.459 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.720 10.775 2.801 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -3.393 9.593 5.371 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -3.095 11.254 4.899 1.00 0.00 H new ATOM 0 HD1 HIS T 29 -5.186 12.947 5.132 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -5.571 9.234 7.038 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -7.087 13.190 6.803 1.00 0.00 H new ATOM 450 N LEU T 30 -2.868 8.452 2.465 1.00 0.00 N ATOM 451 CA LEU T 30 -2.470 7.095 2.120 1.00 0.00 C ATOM 452 C LEU T 30 -1.972 6.358 3.357 1.00 0.00 C ATOM 453 O LEU T 30 -1.099 6.845 4.077 1.00 0.00 O ATOM 454 CB LEU T 30 -1.401 7.104 1.023 1.00 0.00 C ATOM 455 CG LEU T 30 -0.015 6.607 1.445 1.00 0.00 C ATOM 456 CD1 LEU T 30 0.190 5.166 1.008 1.00 0.00 C ATOM 457 CD2 LEU T 30 1.071 7.502 0.866 1.00 0.00 C ATOM 0 H LEU T 30 -2.248 9.181 2.111 1.00 0.00 H new ATOM 0 HA LEU T 30 -3.342 6.568 1.734 1.00 0.00 H new ATOM 0 HB2 LEU T 30 -1.751 6.488 0.194 1.00 0.00 H new ATOM 0 HB3 LEU T 30 -1.303 8.122 0.645 1.00 0.00 H new ATOM 0 HG LEU T 30 0.050 6.648 2.532 1.00 0.00 H new ATOM 0 HD11 LEU T 30 1.180 4.830 1.316 1.00 0.00 H new ATOM 0 HD12 LEU T 30 -0.568 4.534 1.471 1.00 0.00 H new ATOM 0 HD13 LEU T 30 0.106 5.099 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU T 30 2.049 7.134 1.176 1.00 0.00 H new ATOM 0 HD22 LEU T 30 1.008 7.493 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU T 30 0.935 8.521 1.229 1.00 0.00 H new ATOM 469 N ALA T 31 -2.548 5.189 3.606 1.00 0.00 N ATOM 470 CA ALA T 31 -2.184 4.383 4.764 1.00 0.00 C ATOM 471 C ALA T 31 -0.676 4.177 4.852 1.00 0.00 C ATOM 472 O ALA T 31 0.045 4.350 3.868 1.00 0.00 O ATOM 473 CB ALA T 31 -2.896 3.041 4.717 1.00 0.00 C ATOM 0 H ALA T 31 -3.273 4.776 3.018 1.00 0.00 H new ATOM 0 HA ALA T 31 -2.499 4.923 5.657 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.615 2.449 5.588 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -3.974 3.201 4.720 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -2.610 2.509 3.809 1.00 0.00 H new ATOM 479 N THR T 32 -0.206 3.805 6.038 1.00 0.00 N ATOM 480 CA THR T 32 1.214 3.571 6.261 1.00 0.00 C ATOM 481 C THR T 32 1.492 2.097 6.514 1.00 0.00 C ATOM 482 O THR T 32 0.643 1.241 6.263 1.00 0.00 O ATOM 483 CB THR T 32 1.736 4.374 7.465 1.00 0.00 C ATOM 484 OG1 THR T 32 1.217 3.820 8.683 1.00 0.00 O ATOM 485 CG2 THR T 32 1.338 5.836 7.357 1.00 0.00 C ATOM 0 H THR T 32 -0.791 3.659 6.861 1.00 0.00 H new ATOM 0 HA THR T 32 1.729 3.896 5.357 1.00 0.00 H new ATOM 0 HB THR T 32 2.824 4.312 7.471 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.554 4.334 9.446 1.00 0.00 H new ATOM 0 HG21 THR T 32 1.719 6.382 8.220 1.00 0.00 H new ATOM 0 HG22 THR T 32 1.757 6.261 6.445 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.251 5.916 7.328 1.00 0.00 H new ATOM 493 N TYR T 33 2.681 1.812 7.030 1.00 0.00 N ATOM 494 CA TYR T 33 3.069 0.443 7.340 1.00 0.00 C ATOM 495 C TYR T 33 2.358 -0.026 8.596 1.00 0.00 C ATOM 496 O TYR T 33 1.462 -0.869 8.544 1.00 0.00 O ATOM 497 CB TYR T 33 4.581 0.347 7.541 1.00 0.00 C ATOM 498 CG TYR T 33 5.037 -0.948 8.177 1.00 0.00 C ATOM 499 CD1 TYR T 33 4.874 -2.163 7.522 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.628 -0.955 9.434 1.00 0.00 C ATOM 501 CE1 TYR T 33 5.286 -3.346 8.102 1.00 0.00 C ATOM 502 CE2 TYR T 33 6.045 -2.136 10.021 1.00 0.00 C ATOM 503 CZ TYR T 33 5.872 -3.328 9.350 1.00 0.00 C ATOM 504 OH TYR T 33 6.285 -4.506 9.930 1.00 0.00 O ATOM 0 H TYR T 33 3.393 2.511 7.242 1.00 0.00 H new ATOM 0 HA TYR T 33 2.784 -0.194 6.503 1.00 0.00 H new ATOM 0 HB2 TYR T 33 5.073 0.458 6.575 1.00 0.00 H new ATOM 0 HB3 TYR T 33 4.908 1.180 8.163 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.418 -2.182 6.543 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.764 -0.023 9.962 1.00 0.00 H new ATOM 0 HE1 TYR T 33 5.150 -4.282 7.580 1.00 0.00 H new ATOM 0 HE2 TYR T 33 6.503 -2.125 10.999 1.00 0.00 H new ATOM 0 HH TYR T 33 6.678 -4.318 10.808 1.00 0.00 H new ATOM 514 N LYS T 34 2.769 0.534 9.725 1.00 0.00 N ATOM 515 CA LYS T 34 2.178 0.190 11.010 1.00 0.00 C ATOM 516 C LYS T 34 0.659 0.156 10.911 1.00 0.00 C ATOM 517 O LYS T 34 0.011 -0.737 11.456 1.00 0.00 O ATOM 518 CB LYS T 34 2.610 1.195 12.080 1.00 0.00 C ATOM 519 CG LYS T 34 4.075 1.098 12.472 1.00 0.00 C ATOM 520 CD LYS T 34 4.330 1.726 13.832 1.00 0.00 C ATOM 521 CE LYS T 34 5.738 2.291 13.930 1.00 0.00 C ATOM 522 NZ LYS T 34 6.767 1.217 13.984 1.00 0.00 N ATOM 0 H LYS T 34 3.512 1.231 9.777 1.00 0.00 H new ATOM 0 HA LYS T 34 2.530 -0.802 11.293 1.00 0.00 H new ATOM 0 HB2 LYS T 34 2.409 2.203 11.718 1.00 0.00 H new ATOM 0 HB3 LYS T 34 1.997 1.048 12.969 1.00 0.00 H new ATOM 0 HG2 LYS T 34 4.379 0.052 12.490 1.00 0.00 H new ATOM 0 HG3 LYS T 34 4.688 1.595 11.720 1.00 0.00 H new ATOM 0 HD2 LYS T 34 3.605 2.521 14.009 1.00 0.00 H new ATOM 0 HD3 LYS T 34 4.181 0.980 14.612 1.00 0.00 H new ATOM 0 HE2 LYS T 34 5.931 2.935 13.072 1.00 0.00 H new ATOM 0 HE3 LYS T 34 5.817 2.914 14.821 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 7.712 1.645 14.050 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 6.599 0.617 14.817 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 6.709 0.637 13.123 1.00 0.00 H new ATOM 536 N GLN T 35 0.092 1.132 10.205 1.00 0.00 N ATOM 537 CA GLN T 35 -1.349 1.203 10.031 1.00 0.00 C ATOM 538 C GLN T 35 -1.846 0.005 9.234 1.00 0.00 C ATOM 539 O GLN T 35 -2.770 -0.694 9.653 1.00 0.00 O ATOM 540 CB GLN T 35 -1.730 2.502 9.323 1.00 0.00 C ATOM 541 CG GLN T 35 -1.442 3.748 10.143 1.00 0.00 C ATOM 542 CD GLN T 35 -1.807 5.026 9.414 1.00 0.00 C ATOM 543 OE1 GLN T 35 -2.053 5.019 8.208 1.00 0.00 O ATOM 544 NE2 GLN T 35 -1.843 6.135 10.145 1.00 0.00 N ATOM 0 H GLN T 35 0.611 1.881 9.747 1.00 0.00 H new ATOM 0 HA GLN T 35 -1.820 1.187 11.014 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.188 2.565 8.380 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -2.792 2.475 9.079 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -1.997 3.698 11.080 1.00 0.00 H new ATOM 0 HG3 GLN T 35 -0.383 3.771 10.401 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -1.632 6.096 11.142 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -2.082 7.026 9.709 1.00 0.00 H new ATOM 553 N LEU T 36 -1.218 -0.237 8.087 1.00 0.00 N ATOM 554 CA LEU T 36 -1.592 -1.362 7.243 1.00 0.00 C ATOM 555 C LEU T 36 -1.521 -2.656 8.041 1.00 0.00 C ATOM 556 O LEU T 36 -2.237 -3.616 7.756 1.00 0.00 O ATOM 557 CB LEU T 36 -0.678 -1.446 6.019 1.00 0.00 C ATOM 558 CG LEU T 36 -1.394 -1.642 4.681 1.00 0.00 C ATOM 559 CD1 LEU T 36 -1.783 -3.100 4.495 1.00 0.00 C ATOM 560 CD2 LEU T 36 -2.622 -0.746 4.596 1.00 0.00 C ATOM 0 H LEU T 36 -0.451 0.329 7.724 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.615 -1.212 6.898 1.00 0.00 H new ATOM 0 HB2 LEU T 36 -0.086 -0.533 5.965 1.00 0.00 H new ATOM 0 HB3 LEU T 36 0.020 -2.271 6.163 1.00 0.00 H new ATOM 0 HG LEU T 36 -0.710 -1.363 3.880 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -2.291 -3.222 3.538 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -0.887 -3.721 4.512 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -2.450 -3.404 5.302 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -3.118 -0.899 3.638 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -3.310 -0.994 5.405 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -2.318 0.297 4.685 1.00 0.00 H new ATOM 572 N GLU T 37 -0.661 -2.665 9.053 1.00 0.00 N ATOM 573 CA GLU T 37 -0.501 -3.830 9.911 1.00 0.00 C ATOM 574 C GLU T 37 -1.775 -4.075 10.701 1.00 0.00 C ATOM 575 O GLU T 37 -2.419 -5.114 10.562 1.00 0.00 O ATOM 576 CB GLU T 37 0.671 -3.625 10.871 1.00 0.00 C ATOM 577 CG GLU T 37 0.995 -4.854 11.701 1.00 0.00 C ATOM 578 CD GLU T 37 1.990 -5.774 11.021 1.00 0.00 C ATOM 579 OE1 GLU T 37 1.607 -6.443 10.040 1.00 0.00 O ATOM 580 OE2 GLU T 37 3.155 -5.824 11.471 1.00 0.00 O ATOM 0 H GLU T 37 -0.063 -1.876 9.299 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.297 -4.698 9.284 1.00 0.00 H new ATOM 0 HB2 GLU T 37 1.554 -3.340 10.299 1.00 0.00 H new ATOM 0 HB3 GLU T 37 0.442 -2.795 11.539 1.00 0.00 H new ATOM 0 HG2 GLU T 37 1.396 -4.541 12.665 1.00 0.00 H new ATOM 0 HG3 GLU T 37 0.076 -5.404 11.902 1.00 0.00 H new ATOM 587 N ALA T 38 -2.133 -3.102 11.526 1.00 0.00 N ATOM 588 CA ALA T 38 -3.332 -3.191 12.342 1.00 0.00 C ATOM 589 C ALA T 38 -4.571 -3.369 11.472 1.00 0.00 C ATOM 590 O ALA T 38 -5.644 -3.718 11.966 1.00 0.00 O ATOM 591 CB ALA T 38 -3.470 -1.957 13.220 1.00 0.00 C ATOM 0 H ALA T 38 -1.606 -2.237 11.647 1.00 0.00 H new ATOM 0 HA ALA T 38 -3.241 -4.067 12.985 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -4.373 -2.040 13.825 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -2.602 -1.877 13.874 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -3.534 -1.069 12.592 1.00 0.00 H new ATOM 597 N ALA T 39 -4.410 -3.141 10.174 1.00 0.00 N ATOM 598 CA ALA T 39 -5.510 -3.291 9.229 1.00 0.00 C ATOM 599 C ALA T 39 -5.469 -4.675 8.609 1.00 0.00 C ATOM 600 O ALA T 39 -6.497 -5.248 8.256 1.00 0.00 O ATOM 601 CB ALA T 39 -5.434 -2.223 8.149 1.00 0.00 C ATOM 0 H ALA T 39 -3.528 -2.851 9.752 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.453 -3.170 9.763 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.263 -2.350 7.452 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -5.494 -1.236 8.608 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -4.490 -2.316 7.611 1.00 0.00 H new ATOM 607 N ARG T 40 -4.263 -5.207 8.498 1.00 0.00 N ATOM 608 CA ARG T 40 -4.051 -6.528 7.942 1.00 0.00 C ATOM 609 C ARG T 40 -4.498 -7.588 8.935 1.00 0.00 C ATOM 610 O ARG T 40 -4.980 -8.655 8.554 1.00 0.00 O ATOM 611 CB ARG T 40 -2.571 -6.709 7.621 1.00 0.00 C ATOM 612 CG ARG T 40 -2.190 -8.142 7.286 1.00 0.00 C ATOM 613 CD ARG T 40 -0.686 -8.302 7.127 1.00 0.00 C ATOM 614 NE ARG T 40 -0.283 -9.705 7.093 1.00 0.00 N ATOM 615 CZ ARG T 40 0.169 -10.368 8.151 1.00 0.00 C ATOM 616 NH1 ARG T 40 0.276 -9.757 9.324 1.00 0.00 N ATOM 617 NH2 ARG T 40 0.516 -11.643 8.040 1.00 0.00 N ATOM 0 H ARG T 40 -3.407 -4.735 8.791 1.00 0.00 H new ATOM 0 HA ARG T 40 -4.636 -6.634 7.029 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.309 -6.067 6.780 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -1.980 -6.375 8.474 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -2.545 -8.807 8.074 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -2.688 -8.445 6.365 1.00 0.00 H new ATOM 0 HD2 ARG T 40 -0.365 -7.811 6.209 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -0.179 -7.800 7.951 1.00 0.00 H new ATOM 0 HE ARG T 40 -0.353 -10.204 6.206 1.00 0.00 H new ATOM 0 HH11 ARG T 40 0.011 -8.776 9.414 1.00 0.00 H new ATOM 0 HH12 ARG T 40 0.623 -10.268 10.135 1.00 0.00 H new ATOM 0 HH21 ARG T 40 0.436 -12.117 7.140 1.00 0.00 H new ATOM 0 HH22 ARG T 40 0.863 -12.150 8.854 1.00 0.00 H new ATOM 631 N LYS T 41 -4.324 -7.282 10.217 1.00 0.00 N ATOM 632 CA LYS T 41 -4.699 -8.201 11.279 1.00 0.00 C ATOM 633 C LYS T 41 -6.214 -8.340 11.383 1.00 0.00 C ATOM 634 O LYS T 41 -6.717 -9.295 11.976 1.00 0.00 O ATOM 635 CB LYS T 41 -4.124 -7.731 12.614 1.00 0.00 C ATOM 636 CG LYS T 41 -2.642 -7.405 12.552 1.00 0.00 C ATOM 637 CD LYS T 41 -1.954 -7.675 13.881 1.00 0.00 C ATOM 638 CE LYS T 41 -1.033 -6.532 14.274 1.00 0.00 C ATOM 639 NZ LYS T 41 -0.638 -6.604 15.708 1.00 0.00 N ATOM 0 H LYS T 41 -3.925 -6.402 10.543 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.285 -9.179 11.035 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -4.669 -6.847 12.945 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -4.287 -8.505 13.364 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -2.170 -8.000 11.770 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -2.510 -6.358 12.279 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -2.705 -7.822 14.657 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -1.380 -8.599 13.814 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -0.140 -6.555 13.650 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -1.532 -5.582 14.082 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 -0.010 -5.807 15.936 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 -1.488 -6.556 16.305 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 -0.139 -7.499 15.886 1.00 0.00 H new ATOM 653 N ILE T 42 -6.938 -7.388 10.805 1.00 0.00 N ATOM 654 CA ILE T 42 -8.393 -7.417 10.838 1.00 0.00 C ATOM 655 C ILE T 42 -8.942 -8.222 9.666 1.00 0.00 C ATOM 656 O ILE T 42 -10.110 -8.613 9.659 1.00 0.00 O ATOM 657 CB ILE T 42 -8.976 -5.994 10.792 1.00 0.00 C ATOM 658 CG1 ILE T 42 -8.885 -5.437 9.373 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.238 -5.091 11.768 1.00 0.00 C ATOM 660 CD1 ILE T 42 -10.163 -4.782 8.894 1.00 0.00 C ATOM 0 H ILE T 42 -6.541 -6.589 10.310 1.00 0.00 H new ATOM 0 HA ILE T 42 -8.690 -7.891 11.773 1.00 0.00 H new ATOM 0 HB ILE T 42 -10.025 -6.032 11.084 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -8.075 -4.709 9.329 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -8.624 -6.246 8.691 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -8.660 -4.087 11.725 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.342 -5.486 12.779 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -7.182 -5.052 11.500 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -10.023 -4.410 7.879 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -10.972 -5.512 8.905 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.415 -3.951 9.553 1.00 0.00 H new ATOM 672 N GLY T 43 -8.089 -8.465 8.677 1.00 0.00 N ATOM 673 CA GLY T 43 -8.499 -9.223 7.510 1.00 0.00 C ATOM 674 C GLY T 43 -8.111 -8.534 6.218 1.00 0.00 C ATOM 675 O GLY T 43 -8.569 -8.920 5.142 1.00 0.00 O ATOM 0 H GLY T 43 -7.119 -8.150 8.663 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -8.044 -10.213 7.543 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -9.579 -9.367 7.533 1.00 0.00 H new ATOM 679 N PHE T 44 -7.264 -7.513 6.318 1.00 0.00 N ATOM 680 CA PHE T 44 -6.821 -6.777 5.140 1.00 0.00 C ATOM 681 C PHE T 44 -5.705 -7.528 4.420 1.00 0.00 C ATOM 682 O PHE T 44 -4.647 -7.785 4.993 1.00 0.00 O ATOM 683 CB PHE T 44 -6.344 -5.376 5.530 1.00 0.00 C ATOM 684 CG PHE T 44 -6.322 -4.400 4.386 1.00 0.00 C ATOM 685 CD1 PHE T 44 -6.665 -4.803 3.105 1.00 0.00 C ATOM 686 CD2 PHE T 44 -5.959 -3.078 4.594 1.00 0.00 C ATOM 687 CE1 PHE T 44 -6.647 -3.905 2.054 1.00 0.00 C ATOM 688 CE2 PHE T 44 -5.938 -2.178 3.546 1.00 0.00 C ATOM 689 CZ PHE T 44 -6.283 -2.592 2.275 1.00 0.00 C ATOM 0 H PHE T 44 -6.873 -7.179 7.199 1.00 0.00 H new ATOM 0 HA PHE T 44 -7.669 -6.683 4.462 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -6.993 -4.987 6.314 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -5.342 -5.448 5.952 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -6.949 -5.829 2.926 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -5.690 -2.748 5.586 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -6.918 -4.231 1.060 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -5.652 -1.151 3.721 1.00 0.00 H new ATOM 0 HZ PHE T 44 -6.268 -1.890 1.455 1.00 0.00 H new ATOM 699 N HIS T 45 -5.953 -7.876 3.163 1.00 0.00 N ATOM 700 CA HIS T 45 -4.973 -8.599 2.359 1.00 0.00 C ATOM 701 C HIS T 45 -4.890 -8.015 0.953 1.00 0.00 C ATOM 702 O HIS T 45 -5.907 -7.842 0.282 1.00 0.00 O ATOM 703 CB HIS T 45 -5.343 -10.083 2.288 1.00 0.00 C ATOM 704 CG HIS T 45 -4.388 -10.916 1.488 1.00 0.00 C ATOM 705 ND1 HIS T 45 -3.579 -10.592 0.450 1.00 0.00 N flip ATOM 706 CD2 HIS T 45 -4.188 -12.261 1.720 1.00 0.00 C flip ATOM 707 CE1 HIS T 45 -2.914 -11.735 0.080 1.00 0.00 C flip ATOM 708 NE2 HIS T 45 -3.297 -12.727 0.862 1.00 0.00 N flip ATOM 0 H HIS T 45 -6.826 -7.669 2.677 1.00 0.00 H new ATOM 0 HA HIS T 45 -3.997 -8.496 2.833 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.395 -10.482 3.301 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.340 -10.177 1.857 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -4.682 -12.843 2.484 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -2.194 -11.810 -0.721 1.00 0.00 H new ATOM 0 HE2 HIS T 45 -2.962 -13.689 0.813 1.00 0.00 H new ATOM 717 N VAL T 46 -3.671 -7.718 0.509 1.00 0.00 N ATOM 718 CA VAL T 46 -3.463 -7.159 -0.822 1.00 0.00 C ATOM 719 C VAL T 46 -2.187 -7.698 -1.460 1.00 0.00 C ATOM 720 O VAL T 46 -1.084 -7.274 -1.115 1.00 0.00 O ATOM 721 CB VAL T 46 -3.390 -5.619 -0.794 1.00 0.00 C ATOM 722 CG1 VAL T 46 -3.886 -5.041 -2.110 1.00 0.00 C ATOM 723 CG2 VAL T 46 -4.188 -5.055 0.373 1.00 0.00 C ATOM 0 H VAL T 46 -2.817 -7.855 1.049 1.00 0.00 H new ATOM 0 HA VAL T 46 -4.324 -7.463 -1.417 1.00 0.00 H new ATOM 0 HB VAL T 46 -2.348 -5.331 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -3.828 -3.953 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -3.266 -5.411 -2.927 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -4.920 -5.344 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -4.119 -3.967 0.369 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -5.232 -5.353 0.278 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -3.785 -5.440 1.310 1.00 0.00 H new ATOM 733 N CYS T 47 -2.345 -8.629 -2.397 1.00 0.00 N ATOM 734 CA CYS T 47 -1.205 -9.219 -3.091 1.00 0.00 C ATOM 735 C CYS T 47 -0.630 -8.237 -4.108 1.00 0.00 C ATOM 736 O CYS T 47 -0.696 -8.466 -5.315 1.00 0.00 O ATOM 737 CB CYS T 47 -1.623 -10.513 -3.793 1.00 0.00 C ATOM 738 SG CYS T 47 -0.580 -11.950 -3.383 1.00 0.00 S ATOM 0 H CYS T 47 -3.252 -8.991 -2.693 1.00 0.00 H new ATOM 0 HA CYS T 47 -0.436 -9.449 -2.354 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -2.656 -10.740 -3.529 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -1.597 -10.354 -4.871 1.00 0.00 H new ATOM 0 HG CYS T 47 -1.012 -12.996 -4.022 1.00 0.00 H new ATOM 743 N ALA T 48 -0.071 -7.141 -3.606 1.00 0.00 N ATOM 744 CA ALA T 48 0.512 -6.114 -4.460 1.00 0.00 C ATOM 745 C ALA T 48 1.182 -5.032 -3.620 1.00 0.00 C ATOM 746 O ALA T 48 0.650 -4.613 -2.592 1.00 0.00 O ATOM 747 CB ALA T 48 -0.556 -5.506 -5.355 1.00 0.00 C ATOM 0 H ALA T 48 -0.010 -6.941 -2.608 1.00 0.00 H new ATOM 0 HA ALA T 48 1.272 -6.578 -5.088 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.108 -4.740 -5.988 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -0.992 -6.284 -5.981 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.335 -5.057 -4.739 1.00 0.00 H new ATOM 753 N ALA T 49 2.353 -4.585 -4.062 1.00 0.00 N ATOM 754 CA ALA T 49 3.092 -3.552 -3.349 1.00 0.00 C ATOM 755 C ALA T 49 2.233 -2.310 -3.141 1.00 0.00 C ATOM 756 O ALA T 49 1.902 -1.607 -4.095 1.00 0.00 O ATOM 757 CB ALA T 49 4.363 -3.197 -4.103 1.00 0.00 C ATOM 0 H ALA T 49 2.809 -4.922 -4.910 1.00 0.00 H new ATOM 0 HA ALA T 49 3.363 -3.944 -2.369 1.00 0.00 H new ATOM 0 HB1 ALA T 49 4.905 -2.424 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA T 49 4.991 -4.083 -4.196 1.00 0.00 H new ATOM 0 HB3 ALA T 49 4.106 -2.829 -5.096 1.00 0.00 H new ATOM 763 N GLY T 50 1.875 -2.044 -1.891 1.00 0.00 N ATOM 764 CA GLY T 50 1.058 -0.885 -1.586 1.00 0.00 C ATOM 765 C GLY T 50 1.831 0.204 -0.873 1.00 0.00 C ATOM 766 O GLY T 50 2.272 0.020 0.261 1.00 0.00 O ATOM 0 H GLY T 50 2.136 -2.610 -1.083 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.643 -0.484 -2.511 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.216 -1.192 -0.966 1.00 0.00 H new ATOM 770 N TRP T 51 2.001 1.341 -1.541 1.00 0.00 N ATOM 771 CA TRP T 51 2.732 2.466 -0.965 1.00 0.00 C ATOM 772 C TRP T 51 2.276 2.749 0.461 1.00 0.00 C ATOM 773 O TRP T 51 1.133 2.476 0.827 1.00 0.00 O ATOM 774 CB TRP T 51 2.548 3.716 -1.824 1.00 0.00 C ATOM 775 CG TRP T 51 3.434 3.737 -3.028 1.00 0.00 C ATOM 776 CD1 TRP T 51 3.064 3.507 -4.320 1.00 0.00 C ATOM 777 CD2 TRP T 51 4.841 3.998 -3.048 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.160 3.608 -5.146 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.262 3.910 -4.388 1.00 0.00 C ATOM 780 CE3 TRP T 51 5.784 4.298 -2.062 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.588 4.112 -4.766 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.099 4.499 -2.438 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.491 4.406 -3.779 1.00 0.00 C ATOM 0 H TRP T 51 1.643 1.508 -2.481 1.00 0.00 H new ATOM 0 HA TRP T 51 3.788 2.198 -0.941 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.508 3.779 -2.145 1.00 0.00 H new ATOM 0 HB3 TRP T 51 2.749 4.599 -1.217 1.00 0.00 H new ATOM 0 HD1 TRP T 51 2.060 3.279 -4.647 1.00 0.00 H new ATOM 0 HE1 TRP T 51 4.154 3.479 -6.158 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.491 4.372 -1.025 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 6.893 4.039 -5.800 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 7.837 4.732 -1.684 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.526 4.569 -4.040 1.00 0.00 H new ATOM 794 N MET T 52 3.183 3.301 1.260 1.00 0.00 N ATOM 795 CA MET T 52 2.885 3.631 2.649 1.00 0.00 C ATOM 796 C MET T 52 4.022 4.436 3.267 1.00 0.00 C ATOM 797 O MET T 52 5.065 4.635 2.643 1.00 0.00 O ATOM 798 CB MET T 52 2.647 2.356 3.463 1.00 0.00 C ATOM 799 CG MET T 52 3.235 1.105 2.834 1.00 0.00 C ATOM 800 SD MET T 52 2.925 -0.379 3.809 1.00 0.00 S ATOM 801 CE MET T 52 4.593 -0.987 4.041 1.00 0.00 C ATOM 0 H MET T 52 4.133 3.530 0.968 1.00 0.00 H new ATOM 0 HA MET T 52 1.979 4.236 2.666 1.00 0.00 H new ATOM 0 HB2 MET T 52 3.075 2.486 4.457 1.00 0.00 H new ATOM 0 HB3 MET T 52 1.574 2.215 3.594 1.00 0.00 H new ATOM 0 HG2 MET T 52 2.815 0.973 1.837 1.00 0.00 H new ATOM 0 HG3 MET T 52 4.310 1.236 2.712 1.00 0.00 H new ATOM 0 HE1 MET T 52 4.695 -1.962 3.564 1.00 0.00 H new ATOM 0 HE2 MET T 52 5.300 -0.289 3.594 1.00 0.00 H new ATOM 0 HE3 MET T 52 4.801 -1.081 5.107 1.00 0.00 H new ATOM 811 N ALA T 53 3.816 4.892 4.497 1.00 0.00 N ATOM 812 CA ALA T 53 4.824 5.670 5.204 1.00 0.00 C ATOM 813 C ALA T 53 5.287 6.865 4.381 1.00 0.00 C ATOM 814 O ALA T 53 4.657 7.236 3.391 1.00 0.00 O ATOM 815 CB ALA T 53 6.003 4.782 5.565 1.00 0.00 C ATOM 0 H ALA T 53 2.958 4.735 5.026 1.00 0.00 H new ATOM 0 HA ALA T 53 4.374 6.057 6.118 1.00 0.00 H new ATOM 0 HB1 ALA T 53 6.753 5.370 6.094 1.00 0.00 H new ATOM 0 HB2 ALA T 53 5.663 3.968 6.205 1.00 0.00 H new ATOM 0 HB3 ALA T 53 6.440 4.370 4.655 1.00 0.00 H new ATOM 821 N LYS T 54 6.392 7.468 4.806 1.00 0.00 N ATOM 822 CA LYS T 54 6.948 8.631 4.123 1.00 0.00 C ATOM 823 C LYS T 54 7.444 8.275 2.723 1.00 0.00 C ATOM 824 O LYS T 54 7.951 9.133 2.001 1.00 0.00 O ATOM 825 CB LYS T 54 8.094 9.224 4.943 1.00 0.00 C ATOM 826 CG LYS T 54 7.855 10.657 5.388 1.00 0.00 C ATOM 827 CD LYS T 54 8.703 11.642 4.601 1.00 0.00 C ATOM 828 CE LYS T 54 8.032 13.002 4.505 1.00 0.00 C ATOM 829 NZ LYS T 54 8.225 13.631 3.170 1.00 0.00 N ATOM 0 H LYS T 54 6.923 7.169 5.624 1.00 0.00 H new ATOM 0 HA LYS T 54 6.152 9.369 4.022 1.00 0.00 H new ATOM 0 HB2 LYS T 54 8.257 8.603 5.824 1.00 0.00 H new ATOM 0 HB3 LYS T 54 9.009 9.185 4.352 1.00 0.00 H new ATOM 0 HG2 LYS T 54 6.801 10.905 5.264 1.00 0.00 H new ATOM 0 HG3 LYS T 54 8.081 10.750 6.450 1.00 0.00 H new ATOM 0 HD2 LYS T 54 9.677 11.748 5.079 1.00 0.00 H new ATOM 0 HD3 LYS T 54 8.881 11.251 3.599 1.00 0.00 H new ATOM 0 HE2 LYS T 54 6.966 12.894 4.703 1.00 0.00 H new ATOM 0 HE3 LYS T 54 8.434 13.659 5.276 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 7.751 14.556 3.150 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 9.241 13.759 2.990 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 7.818 13.018 2.435 1.00 0.00 H new ATOM 843 N GLY T 55 7.296 7.010 2.344 1.00 0.00 N ATOM 844 CA GLY T 55 7.738 6.576 1.031 1.00 0.00 C ATOM 845 C GLY T 55 8.126 5.112 1.024 1.00 0.00 C ATOM 846 O GLY T 55 8.795 4.644 0.102 1.00 0.00 O ATOM 0 H GLY T 55 6.879 6.279 2.921 1.00 0.00 H new ATOM 0 HA2 GLY T 55 6.942 6.745 0.305 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.590 7.179 0.716 1.00 0.00 H new ATOM 850 N ARG T 56 7.708 4.386 2.055 1.00 0.00 N ATOM 851 CA ARG T 56 8.016 2.965 2.164 1.00 0.00 C ATOM 852 C ARG T 56 6.909 2.120 1.543 1.00 0.00 C ATOM 853 O ARG T 56 5.740 2.251 1.903 1.00 0.00 O ATOM 854 CB ARG T 56 8.206 2.576 3.631 1.00 0.00 C ATOM 855 CG ARG T 56 9.652 2.288 4.001 1.00 0.00 C ATOM 856 CD ARG T 56 9.781 1.894 5.463 1.00 0.00 C ATOM 857 NE ARG T 56 11.074 2.277 6.022 1.00 0.00 N ATOM 858 CZ ARG T 56 11.723 1.563 6.936 1.00 0.00 C ATOM 859 NH1 ARG T 56 11.201 0.432 7.391 1.00 0.00 N ATOM 860 NH2 ARG T 56 12.895 1.980 7.395 1.00 0.00 N ATOM 0 H ARG T 56 7.155 4.758 2.827 1.00 0.00 H new ATOM 0 HA ARG T 56 8.942 2.776 1.621 1.00 0.00 H new ATOM 0 HB2 ARG T 56 7.831 3.381 4.263 1.00 0.00 H new ATOM 0 HB3 ARG T 56 7.602 1.694 3.846 1.00 0.00 H new ATOM 0 HG2 ARG T 56 10.038 1.487 3.371 1.00 0.00 H new ATOM 0 HG3 ARG T 56 10.262 3.170 3.805 1.00 0.00 H new ATOM 0 HD2 ARG T 56 8.984 2.366 6.037 1.00 0.00 H new ATOM 0 HD3 ARG T 56 9.649 0.816 5.561 1.00 0.00 H new ATOM 0 HE ARG T 56 11.504 3.141 5.693 1.00 0.00 H new ATOM 0 HH11 ARG T 56 10.300 0.109 7.039 1.00 0.00 H new ATOM 0 HH12 ARG T 56 11.701 -0.114 8.092 1.00 0.00 H new ATOM 0 HH21 ARG T 56 13.299 2.849 7.047 1.00 0.00 H new ATOM 0 HH22 ARG T 56 13.392 1.431 8.096 1.00 0.00 H new ATOM 874 N VAL T 57 7.286 1.252 0.611 1.00 0.00 N ATOM 875 CA VAL T 57 6.322 0.384 -0.056 1.00 0.00 C ATOM 876 C VAL T 57 6.604 -1.084 0.251 1.00 0.00 C ATOM 877 O VAL T 57 7.720 -1.566 0.055 1.00 0.00 O ATOM 878 CB VAL T 57 6.331 0.600 -1.583 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.627 1.265 -2.021 1.00 0.00 C ATOM 880 CG2 VAL T 57 6.124 -0.716 -2.316 1.00 0.00 C ATOM 0 H VAL T 57 8.250 1.131 0.300 1.00 0.00 H new ATOM 0 HA VAL T 57 5.336 0.647 0.328 1.00 0.00 H new ATOM 0 HB VAL T 57 5.504 1.262 -1.839 1.00 0.00 H new ATOM 0 HG11 VAL T 57 7.615 1.409 -3.101 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.725 2.232 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL T 57 8.471 0.631 -1.749 1.00 0.00 H new ATOM 0 HG21 VAL T 57 6.134 -0.539 -3.391 1.00 0.00 H new ATOM 0 HG22 VAL T 57 6.925 -1.408 -2.055 1.00 0.00 H new ATOM 0 HG23 VAL T 57 5.165 -1.146 -2.028 1.00 0.00 H new ATOM 890 N GLY T 58 5.585 -1.788 0.734 1.00 0.00 N ATOM 891 CA GLY T 58 5.741 -3.194 1.062 1.00 0.00 C ATOM 892 C GLY T 58 4.647 -4.051 0.457 1.00 0.00 C ATOM 893 O GLY T 58 3.876 -3.582 -0.380 1.00 0.00 O ATOM 0 H GLY T 58 4.653 -1.410 0.904 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.711 -3.542 0.706 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.737 -3.315 2.145 1.00 0.00 H new ATOM 897 N TYR T 59 4.575 -5.311 0.879 1.00 0.00 N ATOM 898 CA TYR T 59 3.562 -6.228 0.368 1.00 0.00 C ATOM 899 C TYR T 59 2.994 -7.100 1.486 1.00 0.00 C ATOM 900 O TYR T 59 3.525 -8.169 1.784 1.00 0.00 O ATOM 901 CB TYR T 59 4.142 -7.119 -0.735 1.00 0.00 C ATOM 902 CG TYR T 59 5.489 -6.653 -1.243 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.598 -5.525 -2.047 1.00 0.00 C ATOM 904 CD2 TYR T 59 6.649 -7.346 -0.923 1.00 0.00 C ATOM 905 CE1 TYR T 59 6.827 -5.099 -2.515 1.00 0.00 C ATOM 906 CE2 TYR T 59 7.881 -6.926 -1.388 1.00 0.00 C ATOM 907 CZ TYR T 59 7.965 -5.803 -2.182 1.00 0.00 C ATOM 908 OH TYR T 59 9.189 -5.382 -2.647 1.00 0.00 O ATOM 0 H TYR T 59 5.204 -5.718 1.571 1.00 0.00 H new ATOM 0 HA TYR T 59 2.755 -5.625 -0.049 1.00 0.00 H new ATOM 0 HB2 TYR T 59 4.238 -8.136 -0.356 1.00 0.00 H new ATOM 0 HB3 TYR T 59 3.441 -7.154 -1.569 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.708 -4.972 -2.310 1.00 0.00 H new ATOM 0 HD2 TYR T 59 6.588 -8.227 -0.301 1.00 0.00 H new ATOM 0 HE1 TYR T 59 6.896 -4.220 -3.138 1.00 0.00 H new ATOM 0 HE2 TYR T 59 8.774 -7.476 -1.130 1.00 0.00 H new ATOM 0 HH TYR T 59 9.888 -5.986 -2.321 1.00 0.00 H new ATOM 918 N PRO T 60 1.897 -6.650 2.116 1.00 0.00 N ATOM 919 CA PRO T 60 1.250 -7.389 3.201 1.00 0.00 C ATOM 920 C PRO T 60 0.391 -8.538 2.682 1.00 0.00 C ATOM 921 O PRO T 60 -0.494 -8.338 1.850 1.00 0.00 O ATOM 922 CB PRO T 60 0.377 -6.329 3.865 1.00 0.00 C ATOM 923 CG PRO T 60 0.051 -5.356 2.785 1.00 0.00 C ATOM 924 CD PRO T 60 1.204 -5.381 1.814 1.00 0.00 C ATOM 0 HA PRO T 60 1.971 -7.854 3.873 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -0.528 -6.770 4.283 1.00 0.00 H new ATOM 0 HB3 PRO T 60 0.904 -5.843 4.686 1.00 0.00 H new ATOM 0 HG2 PRO T 60 -0.880 -5.628 2.287 1.00 0.00 H new ATOM 0 HG3 PRO T 60 -0.088 -4.356 3.195 1.00 0.00 H new ATOM 0 HD2 PRO T 60 0.857 -5.352 0.781 1.00 0.00 H new ATOM 0 HD3 PRO T 60 1.862 -4.524 1.954 1.00 0.00 H new ATOM 932 N ILE T 61 0.660 -9.743 3.177 1.00 0.00 N ATOM 933 CA ILE T 61 -0.088 -10.922 2.759 1.00 0.00 C ATOM 934 C ILE T 61 -0.439 -11.804 3.953 1.00 0.00 C ATOM 935 O ILE T 61 0.399 -12.557 4.448 1.00 0.00 O ATOM 936 CB ILE T 61 0.710 -11.756 1.738 1.00 0.00 C ATOM 937 CG1 ILE T 61 1.200 -10.869 0.593 1.00 0.00 C ATOM 938 CG2 ILE T 61 -0.140 -12.899 1.203 1.00 0.00 C ATOM 939 CD1 ILE T 61 0.089 -10.374 -0.307 1.00 0.00 C ATOM 0 H ILE T 61 1.389 -9.927 3.866 1.00 0.00 H new ATOM 0 HA ILE T 61 -1.006 -10.566 2.292 1.00 0.00 H new ATOM 0 HB ILE T 61 1.578 -12.181 2.241 1.00 0.00 H new ATOM 0 HG12 ILE T 61 1.728 -10.011 1.009 1.00 0.00 H new ATOM 0 HG13 ILE T 61 1.920 -11.427 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE T 61 0.439 -13.477 0.483 1.00 0.00 H new ATOM 0 HG22 ILE T 61 -0.443 -13.544 2.028 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -1.027 -12.495 0.714 1.00 0.00 H new ATOM 0 HD11 ILE T 61 0.510 -9.751 -1.096 1.00 0.00 H new ATOM 0 HD12 ILE T 61 -0.425 -11.226 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -0.620 -9.788 0.278 1.00 0.00 H new ATOM 951 N VAL T 62 -1.684 -11.706 4.410 1.00 0.00 N ATOM 952 CA VAL T 62 -2.144 -12.499 5.545 1.00 0.00 C ATOM 953 C VAL T 62 -2.344 -13.957 5.145 1.00 0.00 C ATOM 954 O VAL T 62 -2.406 -14.842 5.996 1.00 0.00 O ATOM 955 CB VAL T 62 -3.463 -11.953 6.126 1.00 0.00 C ATOM 956 CG1 VAL T 62 -3.285 -11.576 7.590 1.00 0.00 C ATOM 957 CG2 VAL T 62 -3.959 -10.763 5.317 1.00 0.00 C ATOM 0 H VAL T 62 -2.391 -11.087 4.013 1.00 0.00 H new ATOM 0 HA VAL T 62 -1.370 -12.432 6.309 1.00 0.00 H new ATOM 0 HB VAL T 62 -4.216 -12.739 6.064 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -4.226 -11.192 7.984 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -2.986 -12.456 8.159 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -2.516 -10.809 7.677 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -4.891 -10.395 5.746 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -3.211 -9.970 5.340 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -4.131 -11.070 4.285 1.00 0.00 H new ATOM 1104 N THR T 73 4.844 -13.892 5.371 1.00 0.00 N ATOM 1105 CA THR T 73 3.874 -13.457 6.366 1.00 0.00 C ATOM 1106 C THR T 73 4.179 -12.046 6.852 1.00 0.00 C ATOM 1107 O THR T 73 5.316 -11.732 7.205 1.00 0.00 O ATOM 1108 CB THR T 73 3.851 -14.409 7.573 1.00 0.00 C ATOM 1109 OG1 THR T 73 5.075 -15.151 7.639 1.00 0.00 O ATOM 1110 CG2 THR T 73 2.675 -15.370 7.482 1.00 0.00 C ATOM 0 HA THR T 73 2.897 -13.467 5.883 1.00 0.00 H new ATOM 0 HB THR T 73 3.742 -13.809 8.477 1.00 0.00 H new ATOM 0 HG1 THR T 73 5.598 -14.992 6.826 1.00 0.00 H new ATOM 0 HG21 THR T 73 2.680 -16.034 8.347 1.00 0.00 H new ATOM 0 HG22 THR T 73 1.743 -14.804 7.464 1.00 0.00 H new ATOM 0 HG23 THR T 73 2.758 -15.962 6.570 1.00 0.00 H new ATOM 1118 N GLY T 74 3.157 -11.197 6.868 1.00 0.00 N ATOM 1119 CA GLY T 74 3.336 -9.827 7.314 1.00 0.00 C ATOM 1120 C GLY T 74 3.588 -8.885 6.154 1.00 0.00 C ATOM 1121 O GLY T 74 3.550 -9.294 4.994 1.00 0.00 O ATOM 0 H GLY T 74 2.207 -11.433 6.580 1.00 0.00 H new ATOM 0 HA2 GLY T 74 2.449 -9.503 7.859 1.00 0.00 H new ATOM 0 HA3 GLY T 74 4.173 -9.778 8.010 1.00 0.00 H new ATOM 1125 N ILE T 75 3.848 -7.619 6.467 1.00 0.00 N ATOM 1126 CA ILE T 75 4.108 -6.618 5.442 1.00 0.00 C ATOM 1127 C ILE T 75 5.545 -6.705 4.947 1.00 0.00 C ATOM 1128 O ILE T 75 6.438 -6.047 5.482 1.00 0.00 O ATOM 1129 CB ILE T 75 3.852 -5.195 5.968 1.00 0.00 C ATOM 1130 CG1 ILE T 75 2.615 -5.173 6.874 1.00 0.00 C ATOM 1131 CG2 ILE T 75 3.704 -4.222 4.809 1.00 0.00 C ATOM 1132 CD1 ILE T 75 1.495 -4.285 6.374 1.00 0.00 C ATOM 0 H ILE T 75 3.884 -7.264 7.422 1.00 0.00 H new ATOM 0 HA ILE T 75 3.424 -6.824 4.619 1.00 0.00 H new ATOM 0 HB ILE T 75 4.709 -4.881 6.564 1.00 0.00 H new ATOM 0 HG12 ILE T 75 2.238 -6.190 6.979 1.00 0.00 H new ATOM 0 HG13 ILE T 75 2.912 -4.839 7.868 1.00 0.00 H new ATOM 0 HG21 ILE T 75 3.523 -3.219 5.196 1.00 0.00 H new ATOM 0 HG22 ILE T 75 4.618 -4.222 4.215 1.00 0.00 H new ATOM 0 HG23 ILE T 75 2.865 -4.526 4.184 1.00 0.00 H new ATOM 0 HD11 ILE T 75 0.659 -4.326 7.072 1.00 0.00 H new ATOM 0 HD12 ILE T 75 1.852 -3.258 6.296 1.00 0.00 H new ATOM 0 HD13 ILE T 75 1.167 -4.630 5.394 1.00 0.00 H new ATOM 1144 N ILE T 76 5.765 -7.518 3.920 1.00 0.00 N ATOM 1145 CA ILE T 76 7.097 -7.685 3.354 1.00 0.00 C ATOM 1146 C ILE T 76 7.613 -6.369 2.784 1.00 0.00 C ATOM 1147 O ILE T 76 7.480 -6.103 1.589 1.00 0.00 O ATOM 1148 CB ILE T 76 7.110 -8.756 2.248 1.00 0.00 C ATOM 1149 CG1 ILE T 76 6.339 -9.999 2.700 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.540 -9.121 1.879 1.00 0.00 C ATOM 1151 CD1 ILE T 76 6.815 -10.562 4.021 1.00 0.00 C ATOM 0 H ILE T 76 5.039 -8.071 3.464 1.00 0.00 H new ATOM 0 HA ILE T 76 7.750 -8.010 4.164 1.00 0.00 H new ATOM 0 HB ILE T 76 6.620 -8.348 1.364 1.00 0.00 H new ATOM 0 HG12 ILE T 76 5.281 -9.750 2.781 1.00 0.00 H new ATOM 0 HG13 ILE T 76 6.427 -10.769 1.934 1.00 0.00 H new ATOM 0 HG21 ILE T 76 8.531 -9.879 1.096 1.00 0.00 H new ATOM 0 HG22 ILE T 76 9.061 -8.234 1.519 1.00 0.00 H new ATOM 0 HG23 ILE T 76 9.054 -9.512 2.757 1.00 0.00 H new ATOM 0 HD11 ILE T 76 6.223 -11.441 4.277 1.00 0.00 H new ATOM 0 HD12 ILE T 76 7.865 -10.843 3.939 1.00 0.00 H new ATOM 0 HD13 ILE T 76 6.701 -9.808 4.800 1.00 0.00 H new ATOM 1163 N ASP T 77 8.200 -5.546 3.646 1.00 0.00 N ATOM 1164 CA ASP T 77 8.736 -4.256 3.230 1.00 0.00 C ATOM 1165 C ASP T 77 10.246 -4.206 3.425 1.00 0.00 C ATOM 1166 O ASP T 77 10.767 -4.676 4.437 1.00 0.00 O ATOM 1167 CB ASP T 77 8.069 -3.125 4.016 1.00 0.00 C ATOM 1168 CG ASP T 77 8.856 -1.830 3.950 1.00 0.00 C ATOM 1169 OD1 ASP T 77 8.900 -1.218 2.862 1.00 0.00 O ATOM 1170 OD2 ASP T 77 9.426 -1.429 4.985 1.00 0.00 O ATOM 0 H ASP T 77 8.317 -5.750 4.639 1.00 0.00 H new ATOM 0 HA ASP T 77 8.521 -4.127 2.169 1.00 0.00 H new ATOM 0 HB2 ASP T 77 7.066 -2.957 3.624 1.00 0.00 H new ATOM 0 HB3 ASP T 77 7.958 -3.427 5.058 1.00 0.00 H new ATOM 1175 N TYR T 78 10.943 -3.636 2.448 1.00 0.00 N ATOM 1176 CA TYR T 78 12.395 -3.527 2.510 1.00 0.00 C ATOM 1177 C TYR T 78 12.820 -2.067 2.640 1.00 0.00 C ATOM 1178 O TYR T 78 13.911 -1.687 2.215 1.00 0.00 O ATOM 1179 CB TYR T 78 13.026 -4.147 1.261 1.00 0.00 C ATOM 1180 CG TYR T 78 12.543 -5.552 0.972 1.00 0.00 C ATOM 1181 CD1 TYR T 78 11.214 -5.800 0.651 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.419 -6.630 1.020 1.00 0.00 C ATOM 1183 CE1 TYR T 78 10.771 -7.083 0.387 1.00 0.00 C ATOM 1184 CE2 TYR T 78 12.982 -7.915 0.756 1.00 0.00 C ATOM 1185 CZ TYR T 78 11.659 -8.136 0.441 1.00 0.00 C ATOM 1186 OH TYR T 78 11.221 -9.413 0.178 1.00 0.00 O ATOM 0 H TYR T 78 10.526 -3.243 1.604 1.00 0.00 H new ATOM 0 HA TYR T 78 12.742 -4.069 3.389 1.00 0.00 H new ATOM 0 HB2 TYR T 78 12.809 -3.513 0.401 1.00 0.00 H new ATOM 0 HB3 TYR T 78 14.109 -4.162 1.380 1.00 0.00 H new ATOM 0 HD1 TYR T 78 10.516 -4.977 0.607 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.457 -6.461 1.267 1.00 0.00 H new ATOM 0 HE1 TYR T 78 9.735 -7.259 0.140 1.00 0.00 H new ATOM 0 HE2 TYR T 78 13.675 -8.742 0.797 1.00 0.00 H new ATOM 0 HH TYR T 78 11.971 -10.039 0.257 1.00 0.00 H new ATOM 1196 N GLY T 79 11.948 -1.255 3.229 1.00 0.00 N ATOM 1197 CA GLY T 79 12.246 0.154 3.404 1.00 0.00 C ATOM 1198 C GLY T 79 12.271 0.874 2.072 1.00 0.00 C ATOM 1199 O GLY T 79 12.272 0.240 1.017 1.00 0.00 O ATOM 0 H GLY T 79 11.040 -1.548 3.588 1.00 0.00 H new ATOM 0 HA2 GLY T 79 11.498 0.609 4.053 1.00 0.00 H new ATOM 0 HA3 GLY T 79 13.210 0.266 3.900 1.00 0.00 H new ATOM 1203 N ILE T 80 12.292 2.201 2.118 1.00 0.00 N ATOM 1204 CA ILE T 80 12.318 3.005 0.907 1.00 0.00 C ATOM 1205 C ILE T 80 13.517 2.654 0.039 1.00 0.00 C ATOM 1206 O ILE T 80 14.579 2.288 0.544 1.00 0.00 O ATOM 1207 CB ILE T 80 12.358 4.505 1.240 1.00 0.00 C ATOM 1208 CG1 ILE T 80 11.380 4.812 2.371 1.00 0.00 C ATOM 1209 CG2 ILE T 80 12.039 5.334 0.005 1.00 0.00 C ATOM 1210 CD1 ILE T 80 11.245 6.286 2.680 1.00 0.00 C ATOM 0 H ILE T 80 12.291 2.741 2.983 1.00 0.00 H new ATOM 0 HA ILE T 80 11.403 2.784 0.357 1.00 0.00 H new ATOM 0 HB ILE T 80 13.363 4.769 1.570 1.00 0.00 H new ATOM 0 HG12 ILE T 80 10.400 4.414 2.109 1.00 0.00 H new ATOM 0 HG13 ILE T 80 11.705 4.290 3.271 1.00 0.00 H new ATOM 0 HG21 ILE T 80 12.072 6.393 0.259 1.00 0.00 H new ATOM 0 HG22 ILE T 80 12.773 5.125 -0.773 1.00 0.00 H new ATOM 0 HG23 ILE T 80 11.043 5.079 -0.357 1.00 0.00 H new ATOM 0 HD11 ILE T 80 10.533 6.423 3.494 1.00 0.00 H new ATOM 0 HD12 ILE T 80 12.215 6.686 2.975 1.00 0.00 H new ATOM 0 HD13 ILE T 80 10.889 6.812 1.794 1.00 0.00 H new ATOM 1222 N ARG T 81 13.337 2.770 -1.267 1.00 0.00 N ATOM 1223 CA ARG T 81 14.401 2.465 -2.216 1.00 0.00 C ATOM 1224 C ARG T 81 14.831 3.717 -2.978 1.00 0.00 C ATOM 1225 O ARG T 81 15.393 3.628 -4.069 1.00 0.00 O ATOM 1226 CB ARG T 81 13.944 1.385 -3.199 1.00 0.00 C ATOM 1227 CG ARG T 81 13.177 0.249 -2.539 1.00 0.00 C ATOM 1228 CD ARG T 81 14.055 -0.976 -2.344 1.00 0.00 C ATOM 1229 NE ARG T 81 14.388 -1.618 -3.613 1.00 0.00 N ATOM 1230 CZ ARG T 81 14.014 -2.851 -3.936 1.00 0.00 C ATOM 1231 NH1 ARG T 81 13.298 -3.574 -3.085 1.00 0.00 N ATOM 1232 NH2 ARG T 81 14.354 -3.362 -5.111 1.00 0.00 N ATOM 0 H ARG T 81 12.463 3.074 -1.697 1.00 0.00 H new ATOM 0 HA ARG T 81 15.258 2.094 -1.653 1.00 0.00 H new ATOM 0 HB2 ARG T 81 13.315 1.843 -3.962 1.00 0.00 H new ATOM 0 HB3 ARG T 81 14.816 0.976 -3.708 1.00 0.00 H new ATOM 0 HG2 ARG T 81 12.793 0.580 -1.574 1.00 0.00 H new ATOM 0 HG3 ARG T 81 12.315 -0.014 -3.152 1.00 0.00 H new ATOM 0 HD2 ARG T 81 14.973 -0.686 -1.832 1.00 0.00 H new ATOM 0 HD3 ARG T 81 13.543 -1.690 -1.700 1.00 0.00 H new ATOM 0 HE ARG T 81 14.939 -1.090 -4.289 1.00 0.00 H new ATOM 0 HH11 ARG T 81 13.034 -3.183 -2.181 1.00 0.00 H new ATOM 0 HH12 ARG T 81 13.012 -4.521 -3.335 1.00 0.00 H new ATOM 0 HH21 ARG T 81 14.903 -2.808 -5.768 1.00 0.00 H new ATOM 0 HH22 ARG T 81 14.066 -4.309 -5.358 1.00 0.00 H new ATOM 1246 N LEU T 82 14.565 4.880 -2.390 1.00 0.00 N ATOM 1247 CA LEU T 82 14.925 6.153 -3.007 1.00 0.00 C ATOM 1248 C LEU T 82 14.571 6.169 -4.490 1.00 0.00 C ATOM 1249 O LEU T 82 15.416 6.458 -5.338 1.00 0.00 O ATOM 1250 CB LEU T 82 16.415 6.431 -2.825 1.00 0.00 C ATOM 1251 CG LEU T 82 16.764 7.628 -1.934 1.00 0.00 C ATOM 1252 CD1 LEU T 82 16.921 8.887 -2.773 1.00 0.00 C ATOM 1253 CD2 LEU T 82 15.700 7.830 -0.863 1.00 0.00 C ATOM 0 H LEU T 82 14.101 4.967 -1.486 1.00 0.00 H new ATOM 0 HA LEU T 82 14.352 6.936 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.883 5.541 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU T 82 16.859 6.592 -3.808 1.00 0.00 H new ATOM 0 HG LEU T 82 17.713 7.421 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU T 82 17.169 9.728 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU T 82 17.720 8.742 -3.501 1.00 0.00 H new ATOM 0 HD13 LEU T 82 15.987 9.095 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU T 82 15.967 8.685 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU T 82 14.736 8.014 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU T 82 15.634 6.936 -0.242 1.00 0.00 H new ATOM 1265 N ASN T 83 13.316 5.860 -4.796 1.00 0.00 N ATOM 1266 CA ASN T 83 12.848 5.842 -6.176 1.00 0.00 C ATOM 1267 C ASN T 83 11.323 5.805 -6.231 1.00 0.00 C ATOM 1268 O ASN T 83 10.733 4.855 -6.747 1.00 0.00 O ATOM 1269 CB ASN T 83 13.428 4.637 -6.918 1.00 0.00 C ATOM 1270 CG ASN T 83 12.953 3.322 -6.335 1.00 0.00 C ATOM 1271 OD1 ASN T 83 12.727 3.210 -5.130 1.00 0.00 O ATOM 1272 ND2 ASN T 83 12.797 2.319 -7.189 1.00 0.00 N ATOM 0 H ASN T 83 12.604 5.618 -4.106 1.00 0.00 H new ATOM 0 HA ASN T 83 13.189 6.756 -6.662 1.00 0.00 H new ATOM 0 HB2 ASN T 83 13.145 4.689 -7.969 1.00 0.00 H new ATOM 0 HB3 ASN T 83 14.517 4.678 -6.878 1.00 0.00 H new ATOM 0 HD21 ASN T 83 12.478 1.410 -6.855 1.00 0.00 H new ATOM 0 HD22 ASN T 83 12.996 2.457 -8.180 1.00 0.00 H new ATOM 1279 N ARG T 84 10.691 6.845 -5.697 1.00 0.00 N ATOM 1280 CA ARG T 84 9.236 6.932 -5.684 1.00 0.00 C ATOM 1281 C ARG T 84 8.671 6.869 -7.100 1.00 0.00 C ATOM 1282 O ARG T 84 7.456 6.862 -7.294 1.00 0.00 O ATOM 1283 CB ARG T 84 8.793 8.229 -5.005 1.00 0.00 C ATOM 1284 CG ARG T 84 9.627 8.596 -3.789 1.00 0.00 C ATOM 1285 CD ARG T 84 10.442 9.857 -4.027 1.00 0.00 C ATOM 1286 NE ARG T 84 10.694 10.591 -2.791 1.00 0.00 N ATOM 1287 CZ ARG T 84 9.857 11.492 -2.285 1.00 0.00 C ATOM 1288 NH1 ARG T 84 8.719 11.767 -2.908 1.00 0.00 N ATOM 1289 NH2 ARG T 84 10.156 12.116 -1.155 1.00 0.00 N ATOM 0 H ARG T 84 11.164 7.640 -5.267 1.00 0.00 H new ATOM 0 HA ARG T 84 8.851 6.081 -5.122 1.00 0.00 H new ATOM 0 HB2 ARG T 84 8.843 9.043 -5.728 1.00 0.00 H new ATOM 0 HB3 ARG T 84 7.750 8.133 -4.704 1.00 0.00 H new ATOM 0 HG2 ARG T 84 8.973 8.742 -2.929 1.00 0.00 H new ATOM 0 HG3 ARG T 84 10.296 7.771 -3.544 1.00 0.00 H new ATOM 0 HD2 ARG T 84 11.392 9.592 -4.490 1.00 0.00 H new ATOM 0 HD3 ARG T 84 9.914 10.502 -4.730 1.00 0.00 H new ATOM 0 HE ARG T 84 11.561 10.402 -2.287 1.00 0.00 H new ATOM 0 HH11 ARG T 84 8.484 11.287 -3.777 1.00 0.00 H new ATOM 0 HH12 ARG T 84 8.078 12.458 -2.518 1.00 0.00 H new ATOM 0 HH21 ARG T 84 11.029 11.906 -0.672 1.00 0.00 H new ATOM 0 HH22 ARG T 84 9.513 12.807 -0.768 1.00 0.00 H new ATOM 1303 N SER T 85 9.561 6.820 -8.087 1.00 0.00 N ATOM 1304 CA SER T 85 9.149 6.755 -9.484 1.00 0.00 C ATOM 1305 C SER T 85 8.800 5.325 -9.881 1.00 0.00 C ATOM 1306 O SER T 85 8.741 4.995 -11.066 1.00 0.00 O ATOM 1307 CB SER T 85 10.258 7.292 -10.391 1.00 0.00 C ATOM 1308 OG SER T 85 9.720 8.039 -11.468 1.00 0.00 O ATOM 0 H SER T 85 10.571 6.824 -7.945 1.00 0.00 H new ATOM 0 HA SER T 85 8.260 7.374 -9.604 1.00 0.00 H new ATOM 0 HB2 SER T 85 10.934 7.920 -9.811 1.00 0.00 H new ATOM 0 HB3 SER T 85 10.848 6.462 -10.779 1.00 0.00 H new ATOM 0 HG SER T 85 10.449 8.372 -12.032 1.00 0.00 H new ATOM 1314 N GLU T 86 8.568 4.481 -8.881 1.00 0.00 N ATOM 1315 CA GLU T 86 8.224 3.086 -9.124 1.00 0.00 C ATOM 1316 C GLU T 86 6.761 2.957 -9.534 1.00 0.00 C ATOM 1317 O GLU T 86 6.080 3.960 -9.755 1.00 0.00 O ATOM 1318 CB GLU T 86 8.490 2.251 -7.871 1.00 0.00 C ATOM 1319 CG GLU T 86 9.926 1.767 -7.759 1.00 0.00 C ATOM 1320 CD GLU T 86 10.067 0.285 -8.047 1.00 0.00 C ATOM 1321 OE1 GLU T 86 9.563 -0.166 -9.097 1.00 0.00 O ATOM 1322 OE2 GLU T 86 10.681 -0.425 -7.222 1.00 0.00 O ATOM 0 H GLU T 86 8.612 4.739 -7.895 1.00 0.00 H new ATOM 0 HA GLU T 86 8.847 2.715 -9.938 1.00 0.00 H new ATOM 0 HB2 GLU T 86 8.245 2.844 -6.990 1.00 0.00 H new ATOM 0 HB3 GLU T 86 7.823 1.389 -7.870 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.550 2.329 -8.454 1.00 0.00 H new ATOM 0 HG3 GLU T 86 10.298 1.975 -6.756 1.00 0.00 H new ATOM 1329 N ARG T 87 6.281 1.723 -9.634 1.00 0.00 N ATOM 1330 CA ARG T 87 4.896 1.478 -10.017 1.00 0.00 C ATOM 1331 C ARG T 87 4.284 0.354 -9.190 1.00 0.00 C ATOM 1332 O ARG T 87 4.679 -0.806 -9.303 1.00 0.00 O ATOM 1333 CB ARG T 87 4.802 1.135 -11.500 1.00 0.00 C ATOM 1334 CG ARG T 87 5.871 0.169 -11.978 1.00 0.00 C ATOM 1335 CD ARG T 87 5.281 -1.174 -12.374 1.00 0.00 C ATOM 1336 NE ARG T 87 5.231 -1.341 -13.824 1.00 0.00 N ATOM 1337 CZ ARG T 87 5.200 -2.524 -14.427 1.00 0.00 C ATOM 1338 NH1 ARG T 87 5.210 -3.638 -13.706 1.00 0.00 N ATOM 1339 NH2 ARG T 87 5.156 -2.595 -15.750 1.00 0.00 N ATOM 0 H ARG T 87 6.827 0.880 -9.456 1.00 0.00 H new ATOM 0 HA ARG T 87 4.335 2.393 -9.825 1.00 0.00 H new ATOM 0 HB2 ARG T 87 3.821 0.705 -11.702 1.00 0.00 H new ATOM 0 HB3 ARG T 87 4.872 2.055 -12.081 1.00 0.00 H new ATOM 0 HG2 ARG T 87 6.396 0.601 -12.830 1.00 0.00 H new ATOM 0 HG3 ARG T 87 6.609 0.024 -11.189 1.00 0.00 H new ATOM 0 HD2 ARG T 87 5.877 -1.975 -11.937 1.00 0.00 H new ATOM 0 HD3 ARG T 87 4.275 -1.264 -11.963 1.00 0.00 H new ATOM 0 HE ARG T 87 5.219 -0.503 -14.406 1.00 0.00 H new ATOM 0 HH11 ARG T 87 5.241 -3.586 -12.688 1.00 0.00 H new ATOM 0 HH12 ARG T 87 5.186 -4.546 -14.170 1.00 0.00 H new ATOM 0 HH21 ARG T 87 5.146 -1.740 -16.307 1.00 0.00 H new ATOM 0 HH22 ARG T 87 5.132 -3.504 -16.211 1.00 0.00 H new ATOM 1353 N TRP T 88 3.308 0.715 -8.367 1.00 0.00 N ATOM 1354 CA TRP T 88 2.614 -0.244 -7.513 1.00 0.00 C ATOM 1355 C TRP T 88 1.203 0.249 -7.210 1.00 0.00 C ATOM 1356 O TRP T 88 0.645 1.055 -7.955 1.00 0.00 O ATOM 1357 CB TRP T 88 3.372 -0.452 -6.198 1.00 0.00 C ATOM 1358 CG TRP T 88 4.860 -0.517 -6.355 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.756 0.467 -6.057 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.626 -1.626 -6.841 1.00 0.00 C ATOM 1361 NE1 TRP T 88 7.034 0.039 -6.330 1.00 0.00 N ATOM 1362 CE2 TRP T 88 6.979 -1.243 -6.813 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.298 -2.906 -7.298 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 8.003 -2.092 -7.223 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.314 -3.749 -7.705 1.00 0.00 C ATOM 1366 CH2 TRP T 88 7.653 -3.340 -7.665 1.00 0.00 C ATOM 0 H TRP T 88 2.976 1.675 -8.272 1.00 0.00 H new ATOM 0 HA TRP T 88 2.563 -1.194 -8.044 1.00 0.00 H new ATOM 0 HB2 TRP T 88 3.124 0.361 -5.516 1.00 0.00 H new ATOM 0 HB3 TRP T 88 3.026 -1.375 -5.733 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.499 1.440 -5.664 1.00 0.00 H new ATOM 0 HE1 TRP T 88 7.884 0.586 -6.195 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.268 -3.230 -7.332 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 9.036 -1.778 -7.194 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 6.072 -4.740 -8.060 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.425 -4.022 -7.989 1.00 0.00 H new ATOM 1377 N ASP T 89 0.637 -0.227 -6.108 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.702 0.178 -5.704 1.00 0.00 C ATOM 1379 C ASP T 89 -0.629 1.290 -4.665 1.00 0.00 C ATOM 1380 O ASP T 89 0.444 1.833 -4.397 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.478 -1.012 -5.140 1.00 0.00 C ATOM 1382 CG ASP T 89 -0.665 -2.289 -5.168 1.00 0.00 C ATOM 1383 OD1 ASP T 89 -0.246 -2.704 -6.269 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -0.448 -2.877 -4.088 1.00 0.00 O ATOM 0 H ASP T 89 1.085 -0.893 -5.479 1.00 0.00 H new ATOM 0 HA ASP T 89 -1.226 0.550 -6.585 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -1.777 -0.796 -4.114 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.393 -1.153 -5.716 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.772 1.625 -4.082 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.831 2.672 -3.074 1.00 0.00 C ATOM 1391 C ALA T 90 -2.833 2.327 -1.978 1.00 0.00 C ATOM 1392 O ALA T 90 -3.929 1.843 -2.260 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.198 3.998 -3.722 1.00 0.00 C ATOM 0 H ALA T 90 -2.669 1.187 -4.290 1.00 0.00 H new ATOM 0 HA ALA T 90 -0.846 2.757 -2.615 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.240 4.776 -2.960 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.446 4.259 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.171 3.910 -4.205 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.458 2.588 -0.730 1.00 0.00 N ATOM 1400 CA TYR T 91 -3.331 2.314 0.399 1.00 0.00 C ATOM 1401 C TYR T 91 -3.996 3.602 0.868 1.00 0.00 C ATOM 1402 O TYR T 91 -3.319 4.558 1.237 1.00 0.00 O ATOM 1403 CB TYR T 91 -2.535 1.684 1.541 1.00 0.00 C ATOM 1404 CG TYR T 91 -2.267 0.205 1.365 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -3.308 -0.718 1.337 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -0.969 -0.269 1.225 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -3.061 -2.066 1.176 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -0.716 -1.618 1.063 1.00 0.00 C ATOM 1409 CZ TYR T 91 -1.764 -2.511 1.039 1.00 0.00 C ATOM 1410 OH TYR T 91 -1.514 -3.854 0.877 1.00 0.00 O ATOM 0 H TYR T 91 -1.555 2.989 -0.478 1.00 0.00 H new ATOM 0 HA TYR T 91 -4.104 1.613 0.085 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -1.583 2.206 1.637 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -3.077 1.836 2.474 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -4.326 -0.374 1.443 1.00 0.00 H new ATOM 0 HD2 TYR T 91 -0.144 0.428 1.243 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -3.881 -2.769 1.157 1.00 0.00 H new ATOM 0 HE2 TYR T 91 0.299 -1.970 0.956 1.00 0.00 H new ATOM 0 HH TYR T 91 -0.883 -3.983 0.138 1.00 0.00 H new ATOM 1420 N CYS T 92 -5.323 3.629 0.836 1.00 0.00 N ATOM 1421 CA CYS T 92 -6.068 4.812 1.244 1.00 0.00 C ATOM 1422 C CYS T 92 -6.524 4.710 2.694 1.00 0.00 C ATOM 1423 O CYS T 92 -6.816 3.623 3.192 1.00 0.00 O ATOM 1424 CB CYS T 92 -7.273 5.015 0.327 1.00 0.00 C ATOM 1425 SG CYS T 92 -6.900 5.946 -1.194 1.00 0.00 S ATOM 0 H CYS T 92 -5.903 2.847 0.532 1.00 0.00 H new ATOM 0 HA CYS T 92 -5.404 5.672 1.162 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -7.677 4.040 0.054 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -8.053 5.539 0.880 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.587 5.855 3.364 1.00 0.00 N ATOM 1431 CA TYR T 93 -7.010 5.908 4.757 1.00 0.00 C ATOM 1432 C TYR T 93 -7.947 7.085 4.994 1.00 0.00 C ATOM 1433 O TYR T 93 -7.682 8.203 4.555 1.00 0.00 O ATOM 1434 CB TYR T 93 -5.798 6.021 5.682 1.00 0.00 C ATOM 1435 CG TYR T 93 -6.158 5.928 7.147 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -6.718 7.013 7.812 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -5.945 4.758 7.864 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -7.054 6.935 9.149 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -6.280 4.671 9.202 1.00 0.00 C ATOM 1440 CZ TYR T 93 -6.834 5.762 9.840 1.00 0.00 C ATOM 1441 OH TYR T 93 -7.168 5.679 11.172 1.00 0.00 O ATOM 0 H TYR T 93 -6.349 6.762 2.962 1.00 0.00 H new ATOM 0 HA TYR T 93 -7.543 4.984 4.980 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -5.088 5.231 5.438 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -5.295 6.970 5.497 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -6.893 7.933 7.274 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -5.511 3.902 7.368 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -7.487 7.788 9.651 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -6.109 3.754 9.746 1.00 0.00 H new ATOM 0 HH TYR T 93 -6.950 4.785 11.509 1.00 0.00 H new ATOM 1451 N ASN T 94 -9.042 6.824 5.697 1.00 0.00 N ATOM 1452 CA ASN T 94 -10.020 7.858 6.000 1.00 0.00 C ATOM 1453 C ASN T 94 -10.797 7.507 7.262 1.00 0.00 C ATOM 1454 O ASN T 94 -11.197 6.359 7.456 1.00 0.00 O ATOM 1455 CB ASN T 94 -10.983 8.035 4.826 1.00 0.00 C ATOM 1456 CG ASN T 94 -10.567 9.155 3.893 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -9.682 9.949 4.212 1.00 0.00 O ATOM 1458 ND2 ASN T 94 -11.208 9.224 2.732 1.00 0.00 N ATOM 0 H ASN T 94 -9.274 5.903 6.068 1.00 0.00 H new ATOM 0 HA ASN T 94 -9.489 8.795 6.168 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -11.041 7.102 4.265 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -11.983 8.239 5.209 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -10.973 9.957 2.063 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -11.935 8.544 2.510 1.00 0.00 H new