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 29 HIS : no HD1:sc= -2.07 K(o=-6,f=-7.7!) USER MOD Set 1.2: T 94 ASN : amide:sc= -3.9! C(o=-6!,f=-10!) USER MOD Single : T 3 TYR OH : rot 76:sc= 0.191 USER MOD Single : T 4 HIS : no HE2:sc= -7.4! C(o=-7.4!,f=-11!) USER MOD Single : T 9 SER OG : rot 180:sc= 0 USER MOD Single : T 11 LYS NZ :NH3+ -166:sc= -0.815 (180deg=-1.4) USER MOD Single : T 12 TYR OH : rot 180:sc= -0.431 USER MOD Single : T 13 LYS NZ :NH3+ 145:sc=-0.00668 (180deg=-1.45!) USER MOD Single : T 15 THR OG1 : rot 118:sc= -3.14! USER MOD Single : T 16 TYR OH : rot 180:sc= 0 USER MOD Single : T 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 32 THR OG1 : rot 180:sc= -1.69! 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= -0.124 K(o=-0.12,f=-3.2) USER MOD Single : T 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 45 HIS : no HD1:sc= -7.75! C(o=-7.8!,f=-10!) USER MOD Single : T 47 CYS SG : rot 180:sc= 0 USER MOD Single : T 52 MET CE :methyl 177:sc= -1.97 (180deg=-2.03) USER MOD Single : T 54 LYS NZ :NH3+ -141:sc= -0.279 (180deg=-1.24!) USER MOD Single : T 59 TYR OH : rot 180:sc= 0 USER MOD Single : T 73 THR OG1 : rot -18:sc= 0.676 USER MOD Single : T 78 TYR OH : rot 180:sc= 0 USER MOD Single : T 83 ASN : amide:sc= -0.155 X(o=-0.15,f=-0.022) USER MOD Single : T 85 SER OG : rot 180:sc= 0 USER MOD Single : T 91 TYR OH : rot 134:sc= -1.53 USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N VAL T 2 -8.269 2.102 7.269 1.00 0.00 N ATOM 11 CA VAL T 2 -7.347 2.003 6.143 1.00 0.00 C ATOM 12 C VAL T 2 -7.766 0.898 5.181 1.00 0.00 C ATOM 13 O VAL T 2 -8.325 -0.119 5.592 1.00 0.00 O ATOM 14 CB VAL T 2 -5.907 1.736 6.620 1.00 0.00 C ATOM 15 CG1 VAL T 2 -5.895 0.716 7.748 1.00 0.00 C ATOM 16 CG2 VAL T 2 -5.033 1.274 5.465 1.00 0.00 C ATOM 0 HA VAL T 2 -7.379 2.961 5.624 1.00 0.00 H new ATOM 0 HB VAL T 2 -5.496 2.671 7.002 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -4.868 0.542 8.070 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -6.479 1.094 8.587 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -6.329 -0.220 7.397 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -4.021 1.091 5.825 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -5.440 0.354 5.046 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -5.011 2.045 4.695 1.00 0.00 H new ATOM 26 N TYR T 3 -7.484 1.103 3.899 1.00 0.00 N ATOM 27 CA TYR T 3 -7.824 0.124 2.874 1.00 0.00 C ATOM 28 C TYR T 3 -6.859 0.215 1.698 1.00 0.00 C ATOM 29 O TYR T 3 -5.902 0.988 1.725 1.00 0.00 O ATOM 30 CB TYR T 3 -9.260 0.330 2.389 1.00 0.00 C ATOM 31 CG TYR T 3 -9.516 1.697 1.797 1.00 0.00 C ATOM 32 CD1 TYR T 3 -9.672 2.812 2.612 1.00 0.00 C ATOM 33 CD2 TYR T 3 -9.603 1.874 0.421 1.00 0.00 C ATOM 34 CE1 TYR T 3 -9.908 4.063 2.073 1.00 0.00 C ATOM 35 CE2 TYR T 3 -9.838 3.121 -0.125 1.00 0.00 C ATOM 36 CZ TYR T 3 -9.989 4.212 0.705 1.00 0.00 C ATOM 37 OH TYR T 3 -10.225 5.455 0.164 1.00 0.00 O ATOM 0 H TYR T 3 -7.020 1.940 3.545 1.00 0.00 H new ATOM 0 HA TYR T 3 -7.741 -0.869 3.316 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -9.493 -0.428 1.642 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -9.942 0.173 3.225 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -9.608 2.699 3.684 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -9.485 1.022 -0.232 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -10.028 4.919 2.720 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -9.903 3.241 -1.196 1.00 0.00 H new ATOM 0 HH TYR T 3 -9.407 5.993 0.210 1.00 0.00 H new ATOM 47 N HIS T 4 -7.115 -0.584 0.668 1.00 0.00 N ATOM 48 CA HIS T 4 -6.265 -0.598 -0.516 1.00 0.00 C ATOM 49 C HIS T 4 -6.974 0.028 -1.712 1.00 0.00 C ATOM 50 O HIS T 4 -8.203 0.095 -1.756 1.00 0.00 O ATOM 51 CB HIS T 4 -5.845 -2.030 -0.851 1.00 0.00 C ATOM 52 CG HIS T 4 -5.360 -2.199 -2.258 1.00 0.00 C ATOM 53 ND1 HIS T 4 -6.148 -2.707 -3.268 1.00 0.00 N ATOM 54 CD2 HIS T 4 -4.160 -1.922 -2.821 1.00 0.00 C ATOM 55 CE1 HIS T 4 -5.453 -2.737 -4.393 1.00 0.00 C ATOM 56 NE2 HIS T 4 -4.244 -2.265 -4.148 1.00 0.00 N ATOM 0 H HIS T 4 -7.904 -1.230 0.629 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.377 -0.005 -0.297 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -5.057 -2.339 -0.164 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -6.691 -2.696 -0.685 1.00 0.00 H new ATOM 0 HD1 HIS T 4 -7.116 -3.012 -3.164 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -3.297 -1.508 -2.320 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -5.813 -3.088 -5.349 1.00 0.00 H new ATOM 65 N ARG T 5 -6.187 0.485 -2.679 1.00 0.00 N ATOM 66 CA ARG T 5 -6.726 1.106 -3.882 1.00 0.00 C ATOM 67 C ARG T 5 -5.732 1.008 -5.033 1.00 0.00 C ATOM 68 O ARG T 5 -4.519 1.012 -4.819 1.00 0.00 O ATOM 69 CB ARG T 5 -7.065 2.572 -3.609 1.00 0.00 C ATOM 70 CG ARG T 5 -8.539 2.820 -3.337 1.00 0.00 C ATOM 71 CD ARG T 5 -9.298 3.128 -4.618 1.00 0.00 C ATOM 72 NE ARG T 5 -10.663 3.571 -4.354 1.00 0.00 N ATOM 73 CZ ARG T 5 -11.686 3.331 -5.167 1.00 0.00 C ATOM 74 NH1 ARG T 5 -11.499 2.653 -6.291 1.00 0.00 N ATOM 75 NH2 ARG T 5 -12.899 3.769 -4.858 1.00 0.00 N ATOM 0 H ARG T 5 -5.169 0.436 -2.652 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.635 0.575 -4.164 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -6.484 2.916 -2.753 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -6.757 3.172 -4.465 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -8.974 1.943 -2.857 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -8.647 3.651 -2.640 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -8.768 3.900 -5.176 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -9.321 2.239 -5.248 1.00 0.00 H new ATOM 0 HE ARG T 5 -10.842 4.094 -3.497 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -10.568 2.314 -6.533 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -12.286 2.470 -6.913 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -13.048 4.291 -3.995 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -13.683 3.584 -5.484 1.00 0.00 H new ATOM 89 N GLU T 6 -6.249 0.923 -6.255 1.00 0.00 N ATOM 90 CA GLU T 6 -5.399 0.827 -7.436 1.00 0.00 C ATOM 91 C GLU T 6 -5.511 2.083 -8.292 1.00 0.00 C ATOM 92 O GLU T 6 -6.148 3.060 -7.899 1.00 0.00 O ATOM 93 CB GLU T 6 -5.769 -0.405 -8.265 1.00 0.00 C ATOM 94 CG GLU T 6 -7.174 -0.353 -8.843 1.00 0.00 C ATOM 95 CD GLU T 6 -8.245 -0.514 -7.782 1.00 0.00 C ATOM 96 OE1 GLU T 6 -8.028 -1.297 -6.833 1.00 0.00 O ATOM 97 OE2 GLU T 6 -9.301 0.141 -7.901 1.00 0.00 O ATOM 0 H GLU T 6 -7.250 0.919 -6.453 1.00 0.00 H new ATOM 0 HA GLU T 6 -4.367 0.729 -7.099 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -5.054 -0.511 -9.081 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -5.675 -1.294 -7.641 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -7.317 0.597 -9.357 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -7.286 -1.139 -9.589 1.00 0.00 H new ATOM 104 N ALA T 7 -4.888 2.049 -9.464 1.00 0.00 N ATOM 105 CA ALA T 7 -4.915 3.185 -10.377 1.00 0.00 C ATOM 106 C ALA T 7 -6.081 3.079 -11.354 1.00 0.00 C ATOM 107 O ALA T 7 -6.608 1.992 -11.592 1.00 0.00 O ATOM 108 CB ALA T 7 -3.599 3.283 -11.134 1.00 0.00 C ATOM 0 H ALA T 7 -4.358 1.247 -9.804 1.00 0.00 H new ATOM 0 HA ALA T 7 -5.052 4.091 -9.786 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -3.632 4.135 -11.813 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.781 3.414 -10.426 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -3.440 2.369 -11.707 1.00 0.00 H new ATOM 114 N ARG T 8 -6.478 4.216 -11.918 1.00 0.00 N ATOM 115 CA ARG T 8 -7.580 4.252 -12.870 1.00 0.00 C ATOM 116 C ARG T 8 -7.266 3.400 -14.095 1.00 0.00 C ATOM 117 O ARG T 8 -8.167 2.990 -14.827 1.00 0.00 O ATOM 118 CB ARG T 8 -7.867 5.693 -13.296 1.00 0.00 C ATOM 119 CG ARG T 8 -8.511 6.536 -12.207 1.00 0.00 C ATOM 120 CD ARG T 8 -7.484 7.365 -11.456 1.00 0.00 C ATOM 121 NE ARG T 8 -8.089 8.131 -10.370 1.00 0.00 N ATOM 122 CZ ARG T 8 -8.057 9.458 -10.298 1.00 0.00 C ATOM 123 NH1 ARG T 8 -7.454 10.162 -11.246 1.00 0.00 N ATOM 124 NH2 ARG T 8 -8.631 10.082 -9.279 1.00 0.00 N ATOM 0 H ARG T 8 -6.052 5.124 -11.731 1.00 0.00 H new ATOM 0 HA ARG T 8 -8.464 3.843 -12.381 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -6.933 6.164 -13.604 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -8.521 5.681 -14.168 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -9.257 7.196 -12.651 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -9.036 5.886 -11.507 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -6.714 6.709 -11.051 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -6.991 8.046 -12.149 1.00 0.00 H new ATOM 0 HE ARG T 8 -8.562 7.619 -9.625 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -7.013 9.685 -12.033 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -7.431 11.180 -11.188 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -9.098 9.544 -8.549 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -8.606 11.100 -9.225 1.00 0.00 H new ATOM 138 N SER T 9 -5.981 3.138 -14.312 1.00 0.00 N ATOM 139 CA SER T 9 -5.545 2.334 -15.447 1.00 0.00 C ATOM 140 C SER T 9 -5.363 0.874 -15.043 1.00 0.00 C ATOM 141 O SER T 9 -5.517 -0.031 -15.862 1.00 0.00 O ATOM 142 CB SER T 9 -4.237 2.884 -16.016 1.00 0.00 C ATOM 143 OG SER T 9 -4.370 4.249 -16.375 1.00 0.00 O ATOM 0 H SER T 9 -5.223 3.471 -13.716 1.00 0.00 H new ATOM 0 HA SER T 9 -6.317 2.386 -16.214 1.00 0.00 H new ATOM 0 HB2 SER T 9 -3.442 2.775 -15.279 1.00 0.00 H new ATOM 0 HB3 SER T 9 -3.944 2.302 -16.890 1.00 0.00 H new ATOM 0 HG SER T 9 -3.519 4.577 -16.734 1.00 0.00 H new ATOM 149 N GLY T 10 -5.037 0.653 -13.773 1.00 0.00 N ATOM 150 CA GLY T 10 -4.842 -0.699 -13.284 1.00 0.00 C ATOM 151 C GLY T 10 -3.760 -0.781 -12.225 1.00 0.00 C ATOM 152 O GLY T 10 -2.997 0.165 -12.031 1.00 0.00 O ATOM 0 H GLY T 10 -4.905 1.385 -13.075 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -5.779 -1.072 -12.871 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -4.580 -1.350 -14.118 1.00 0.00 H new ATOM 156 N LYS T 11 -3.698 -1.917 -11.538 1.00 0.00 N ATOM 157 CA LYS T 11 -2.708 -2.132 -10.491 1.00 0.00 C ATOM 158 C LYS T 11 -1.292 -1.942 -11.027 1.00 0.00 C ATOM 159 O LYS T 11 -1.033 -2.150 -12.214 1.00 0.00 O ATOM 160 CB LYS T 11 -2.864 -3.538 -9.906 1.00 0.00 C ATOM 161 CG LYS T 11 -1.655 -4.004 -9.110 1.00 0.00 C ATOM 162 CD LYS T 11 -1.862 -5.406 -8.559 1.00 0.00 C ATOM 163 CE LYS T 11 -1.311 -6.463 -9.503 1.00 0.00 C ATOM 164 NZ LYS T 11 -1.944 -6.389 -10.849 1.00 0.00 N ATOM 0 H LYS T 11 -4.326 -2.706 -11.690 1.00 0.00 H new ATOM 0 HA LYS T 11 -2.875 -1.394 -9.706 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -3.743 -3.559 -9.262 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -3.047 -4.242 -10.718 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -0.770 -3.988 -9.746 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -1.469 -3.312 -8.289 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -1.373 -5.493 -7.589 1.00 0.00 H new ATOM 0 HD3 LYS T 11 -2.926 -5.581 -8.396 1.00 0.00 H new ATOM 0 HE2 LYS T 11 -0.233 -6.336 -9.601 1.00 0.00 H new ATOM 0 HE3 LYS T 11 -1.478 -7.452 -9.077 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 -1.726 -7.254 -11.383 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -2.975 -6.297 -10.743 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 -1.574 -5.563 -11.362 1.00 0.00 H new ATOM 178 N TYR T 12 -0.379 -1.545 -10.145 1.00 0.00 N ATOM 179 CA TYR T 12 1.014 -1.326 -10.523 1.00 0.00 C ATOM 180 C TYR T 12 1.136 -0.188 -11.530 1.00 0.00 C ATOM 181 O TYR T 12 1.714 -0.354 -12.604 1.00 0.00 O ATOM 182 CB TYR T 12 1.615 -2.608 -11.104 1.00 0.00 C ATOM 183 CG TYR T 12 1.763 -3.723 -10.091 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.583 -3.484 -8.734 1.00 0.00 C ATOM 185 CD2 TYR T 12 2.078 -5.014 -10.493 1.00 0.00 C ATOM 186 CE1 TYR T 12 1.716 -4.499 -7.807 1.00 0.00 C ATOM 187 CE2 TYR T 12 2.212 -6.036 -9.572 1.00 0.00 C ATOM 188 CZ TYR T 12 2.030 -5.773 -8.231 1.00 0.00 C ATOM 189 OH TYR T 12 2.163 -6.788 -7.311 1.00 0.00 O ATOM 0 H TYR T 12 -0.580 -1.368 -9.161 1.00 0.00 H new ATOM 0 HA TYR T 12 1.567 -1.049 -9.626 1.00 0.00 H new ATOM 0 HB2 TYR T 12 0.986 -2.955 -11.924 1.00 0.00 H new ATOM 0 HB3 TYR T 12 2.594 -2.381 -11.527 1.00 0.00 H new ATOM 0 HD1 TYR T 12 1.335 -2.488 -8.399 1.00 0.00 H new ATOM 0 HD2 TYR T 12 2.221 -5.223 -11.543 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.575 -4.296 -6.756 1.00 0.00 H new ATOM 0 HE2 TYR T 12 2.458 -7.035 -9.901 1.00 0.00 H new ATOM 0 HH TYR T 12 2.385 -7.623 -7.774 1.00 0.00 H new ATOM 199 N LYS T 13 0.589 0.968 -11.172 1.00 0.00 N ATOM 200 CA LYS T 13 0.635 2.141 -12.038 1.00 0.00 C ATOM 201 C LYS T 13 0.576 3.422 -11.213 1.00 0.00 C ATOM 202 O LYS T 13 0.490 4.522 -11.757 1.00 0.00 O ATOM 203 CB LYS T 13 -0.521 2.110 -13.040 1.00 0.00 C ATOM 204 CG LYS T 13 -0.321 1.117 -14.172 1.00 0.00 C ATOM 205 CD LYS T 13 -1.243 1.411 -15.344 1.00 0.00 C ATOM 206 CE LYS T 13 -1.430 0.189 -16.228 1.00 0.00 C ATOM 207 NZ LYS T 13 -2.015 0.543 -17.551 1.00 0.00 N ATOM 0 H LYS T 13 0.107 1.119 -10.286 1.00 0.00 H new ATOM 0 HA LYS T 13 1.577 2.123 -12.586 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -1.442 1.864 -12.511 1.00 0.00 H new ATOM 0 HB3 LYS T 13 -0.652 3.107 -13.462 1.00 0.00 H new ATOM 0 HG2 LYS T 13 0.716 1.150 -14.507 1.00 0.00 H new ATOM 0 HG3 LYS T 13 -0.506 0.107 -13.807 1.00 0.00 H new ATOM 0 HD2 LYS T 13 -2.212 1.743 -14.971 1.00 0.00 H new ATOM 0 HD3 LYS T 13 -0.832 2.229 -15.935 1.00 0.00 H new ATOM 0 HE2 LYS T 13 -0.468 -0.302 -16.376 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -2.079 -0.527 -15.724 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -1.614 -0.075 -18.285 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 -3.047 0.418 -17.519 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 -1.793 1.534 -17.775 1.00 0.00 H new ATOM 221 N LEU T 14 0.616 3.266 -9.894 1.00 0.00 N ATOM 222 CA LEU T 14 0.562 4.399 -8.981 1.00 0.00 C ATOM 223 C LEU T 14 1.909 4.621 -8.304 1.00 0.00 C ATOM 224 O LEU T 14 2.500 3.693 -7.755 1.00 0.00 O ATOM 225 CB LEU T 14 -0.513 4.164 -7.921 1.00 0.00 C ATOM 226 CG LEU T 14 -1.932 4.563 -8.326 1.00 0.00 C ATOM 227 CD1 LEU T 14 -2.952 3.773 -7.521 1.00 0.00 C ATOM 228 CD2 LEU T 14 -2.140 6.057 -8.139 1.00 0.00 C ATOM 0 H LEU T 14 0.686 2.359 -9.432 1.00 0.00 H new ATOM 0 HA LEU T 14 0.316 5.289 -9.560 1.00 0.00 H new ATOM 0 HB2 LEU T 14 -0.513 3.107 -7.656 1.00 0.00 H new ATOM 0 HB3 LEU T 14 -0.241 4.718 -7.023 1.00 0.00 H new ATOM 0 HG LEU T 14 -2.071 4.330 -9.382 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -3.958 4.067 -7.820 1.00 0.00 H new ATOM 0 HD12 LEU T 14 -2.815 2.708 -7.706 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -2.815 3.977 -6.459 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -3.156 6.322 -8.432 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -1.985 6.318 -7.092 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -1.429 6.604 -8.758 1.00 0.00 H new ATOM 240 N THR T 15 2.379 5.862 -8.336 1.00 0.00 N ATOM 241 CA THR T 15 3.647 6.215 -7.713 1.00 0.00 C ATOM 242 C THR T 15 3.404 6.931 -6.393 1.00 0.00 C ATOM 243 O THR T 15 2.387 7.600 -6.226 1.00 0.00 O ATOM 244 CB THR T 15 4.498 7.117 -8.627 1.00 0.00 C ATOM 245 OG1 THR T 15 4.196 8.494 -8.374 1.00 0.00 O ATOM 246 CG2 THR T 15 4.245 6.798 -10.092 1.00 0.00 C ATOM 0 H THR T 15 1.900 6.641 -8.788 1.00 0.00 H new ATOM 0 HA THR T 15 4.192 5.287 -7.538 1.00 0.00 H new ATOM 0 HB THR T 15 5.549 6.929 -8.408 1.00 0.00 H new ATOM 0 HG1 THR T 15 5.001 8.952 -8.055 1.00 0.00 H new ATOM 0 HG21 THR T 15 4.857 7.448 -10.717 1.00 0.00 H new ATOM 0 HG22 THR T 15 4.504 5.757 -10.288 1.00 0.00 H new ATOM 0 HG23 THR T 15 3.192 6.960 -10.323 1.00 0.00 H new ATOM 254 N TYR T 16 4.332 6.787 -5.454 1.00 0.00 N ATOM 255 CA TYR T 16 4.193 7.427 -4.151 1.00 0.00 C ATOM 256 C TYR T 16 3.516 8.786 -4.287 1.00 0.00 C ATOM 257 O TYR T 16 2.639 9.136 -3.497 1.00 0.00 O ATOM 258 CB TYR T 16 5.558 7.592 -3.486 1.00 0.00 C ATOM 259 CG TYR T 16 5.502 8.355 -2.182 1.00 0.00 C ATOM 260 CD1 TYR T 16 5.022 7.756 -1.024 1.00 0.00 C ATOM 261 CD2 TYR T 16 5.928 9.675 -2.112 1.00 0.00 C ATOM 262 CE1 TYR T 16 4.969 8.452 0.168 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.880 10.378 -0.923 1.00 0.00 C ATOM 264 CZ TYR T 16 5.399 9.762 0.214 1.00 0.00 C ATOM 265 OH TYR T 16 5.348 10.458 1.399 1.00 0.00 O ATOM 0 H TYR T 16 5.183 6.237 -5.569 1.00 0.00 H new ATOM 0 HA TYR T 16 3.571 6.787 -3.526 1.00 0.00 H new ATOM 0 HB2 TYR T 16 5.987 6.607 -3.304 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.228 8.109 -4.173 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.685 6.730 -1.056 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.303 10.160 -3.001 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.593 7.973 1.060 1.00 0.00 H new ATOM 0 HE2 TYR T 16 6.217 11.403 -0.884 1.00 0.00 H new ATOM 0 HH TYR T 16 5.689 11.366 1.260 1.00 0.00 H new ATOM 275 N ALA T 17 3.927 9.547 -5.296 1.00 0.00 N ATOM 276 CA ALA T 17 3.357 10.867 -5.538 1.00 0.00 C ATOM 277 C ALA T 17 1.909 10.765 -6.006 1.00 0.00 C ATOM 278 O ALA T 17 1.037 11.485 -5.518 1.00 0.00 O ATOM 279 CB ALA T 17 4.196 11.624 -6.556 1.00 0.00 C ATOM 0 H ALA T 17 4.652 9.272 -5.959 1.00 0.00 H new ATOM 0 HA ALA T 17 3.365 11.418 -4.597 1.00 0.00 H new ATOM 0 HB1 ALA T 17 3.760 12.608 -6.728 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.212 11.739 -6.177 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.219 11.069 -7.494 1.00 0.00 H new ATOM 285 N GLU T 18 1.652 9.857 -6.946 1.00 0.00 N ATOM 286 CA GLU T 18 0.307 9.656 -7.462 1.00 0.00 C ATOM 287 C GLU T 18 -0.577 9.058 -6.381 1.00 0.00 C ATOM 288 O GLU T 18 -1.617 9.615 -6.027 1.00 0.00 O ATOM 289 CB GLU T 18 0.351 8.725 -8.671 1.00 0.00 C ATOM 290 CG GLU T 18 1.514 9.006 -9.609 1.00 0.00 C ATOM 291 CD GLU T 18 1.362 8.314 -10.949 1.00 0.00 C ATOM 292 OE1 GLU T 18 1.319 7.065 -10.969 1.00 0.00 O ATOM 293 OE2 GLU T 18 1.287 9.019 -11.976 1.00 0.00 O ATOM 0 H GLU T 18 2.359 9.252 -7.363 1.00 0.00 H new ATOM 0 HA GLU T 18 -0.106 10.618 -7.767 1.00 0.00 H new ATOM 0 HB2 GLU T 18 0.415 7.694 -8.324 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.583 8.817 -9.225 1.00 0.00 H new ATOM 0 HG2 GLU T 18 1.597 10.081 -9.767 1.00 0.00 H new ATOM 0 HG3 GLU T 18 2.442 8.680 -9.139 1.00 0.00 H new ATOM 300 N ALA T 19 -0.140 7.922 -5.857 1.00 0.00 N ATOM 301 CA ALA T 19 -0.860 7.228 -4.803 1.00 0.00 C ATOM 302 C ALA T 19 -1.338 8.205 -3.736 1.00 0.00 C ATOM 303 O ALA T 19 -2.444 8.077 -3.209 1.00 0.00 O ATOM 304 CB ALA T 19 0.037 6.168 -4.186 1.00 0.00 C ATOM 0 H ALA T 19 0.720 7.458 -6.150 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.738 6.749 -5.236 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.504 5.648 -3.396 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.335 5.453 -4.952 1.00 0.00 H new ATOM 0 HB3 ALA T 19 0.925 6.642 -3.767 1.00 0.00 H new ATOM 310 N LYS T 20 -0.495 9.184 -3.424 1.00 0.00 N ATOM 311 CA LYS T 20 -0.822 10.191 -2.422 1.00 0.00 C ATOM 312 C LYS T 20 -1.913 11.124 -2.931 1.00 0.00 C ATOM 313 O LYS T 20 -2.795 11.532 -2.176 1.00 0.00 O ATOM 314 CB LYS T 20 0.426 10.996 -2.059 1.00 0.00 C ATOM 315 CG LYS T 20 0.318 11.723 -0.727 1.00 0.00 C ATOM 316 CD LYS T 20 1.442 12.729 -0.547 1.00 0.00 C ATOM 317 CE LYS T 20 0.936 14.158 -0.653 1.00 0.00 C ATOM 318 NZ LYS T 20 1.894 15.134 -0.063 1.00 0.00 N ATOM 0 H LYS T 20 0.423 9.301 -3.853 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.190 9.682 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS T 20 1.284 10.325 -2.028 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.619 11.725 -2.846 1.00 0.00 H new ATOM 0 HG2 LYS T 20 -0.642 12.235 -0.668 1.00 0.00 H new ATOM 0 HG3 LYS T 20 0.343 10.998 0.087 1.00 0.00 H new ATOM 0 HD2 LYS T 20 1.912 12.580 0.425 1.00 0.00 H new ATOM 0 HD3 LYS T 20 2.209 12.557 -1.302 1.00 0.00 H new ATOM 0 HE2 LYS T 20 0.765 14.405 -1.701 1.00 0.00 H new ATOM 0 HE3 LYS T 20 -0.025 14.241 -0.145 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 1.511 16.096 -0.156 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 2.038 14.914 0.943 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 2.803 15.074 -0.564 1.00 0.00 H new ATOM 332 N ALA T 21 -1.848 11.459 -4.214 1.00 0.00 N ATOM 333 CA ALA T 21 -2.836 12.344 -4.819 1.00 0.00 C ATOM 334 C ALA T 21 -4.233 11.744 -4.731 1.00 0.00 C ATOM 335 O ALA T 21 -5.197 12.437 -4.408 1.00 0.00 O ATOM 336 CB ALA T 21 -2.474 12.631 -6.269 1.00 0.00 C ATOM 0 H ALA T 21 -1.124 11.132 -4.854 1.00 0.00 H new ATOM 0 HA ALA T 21 -2.834 13.282 -4.265 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -3.221 13.293 -6.706 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -1.496 13.110 -6.312 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -2.445 11.696 -6.829 1.00 0.00 H new ATOM 342 N VAL T 22 -4.335 10.451 -5.018 1.00 0.00 N ATOM 343 CA VAL T 22 -5.615 9.752 -4.972 1.00 0.00 C ATOM 344 C VAL T 22 -6.186 9.737 -3.562 1.00 0.00 C ATOM 345 O VAL T 22 -7.357 10.048 -3.351 1.00 0.00 O ATOM 346 CB VAL T 22 -5.478 8.302 -5.477 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.535 7.409 -4.845 1.00 0.00 C ATOM 348 CG2 VAL T 22 -5.568 8.256 -6.994 1.00 0.00 C ATOM 0 H VAL T 22 -3.545 9.864 -5.286 1.00 0.00 H new ATOM 0 HA VAL T 22 -6.296 10.296 -5.627 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.499 7.926 -5.181 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.420 6.390 -5.216 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.417 7.416 -3.761 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.527 7.779 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -5.469 7.225 -7.333 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -6.532 8.652 -7.313 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.767 8.858 -7.424 1.00 0.00 H new ATOM 358 N CYS T 23 -5.351 9.375 -2.599 1.00 0.00 N ATOM 359 CA CYS T 23 -5.776 9.326 -1.207 1.00 0.00 C ATOM 360 C CYS T 23 -6.096 10.725 -0.702 1.00 0.00 C ATOM 361 O CYS T 23 -7.195 10.985 -0.212 1.00 0.00 O ATOM 362 CB CYS T 23 -4.692 8.689 -0.336 1.00 0.00 C ATOM 363 SG CYS T 23 -5.331 7.872 1.160 1.00 0.00 S ATOM 0 H CYS T 23 -4.378 9.112 -2.755 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.676 8.715 -1.145 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -4.145 7.958 -0.931 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -3.978 9.458 -0.041 1.00 0.00 H new ATOM 368 N GLU T 24 -5.131 11.627 -0.838 1.00 0.00 N ATOM 369 CA GLU T 24 -5.310 13.008 -0.406 1.00 0.00 C ATOM 370 C GLU T 24 -6.268 13.745 -1.338 1.00 0.00 C ATOM 371 O GLU T 24 -6.577 14.918 -1.129 1.00 0.00 O ATOM 372 CB GLU T 24 -3.962 13.732 -0.365 1.00 0.00 C ATOM 373 CG GLU T 24 -3.993 15.038 0.413 1.00 0.00 C ATOM 374 CD GLU T 24 -2.650 15.386 1.025 1.00 0.00 C ATOM 375 OE1 GLU T 24 -1.819 16.001 0.326 1.00 0.00 O ATOM 376 OE2 GLU T 24 -2.430 15.042 2.206 1.00 0.00 O ATOM 0 H GLU T 24 -4.217 11.427 -1.244 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.738 12.998 0.596 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -3.218 13.071 0.081 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -3.637 13.935 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -4.305 15.844 -0.251 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -4.741 14.968 1.203 1.00 0.00 H new ATOM 383 N PHE T 25 -6.735 13.044 -2.367 1.00 0.00 N ATOM 384 CA PHE T 25 -7.659 13.621 -3.335 1.00 0.00 C ATOM 385 C PHE T 25 -8.988 13.964 -2.679 1.00 0.00 C ATOM 386 O PHE T 25 -9.516 15.063 -2.852 1.00 0.00 O ATOM 387 CB PHE T 25 -7.893 12.642 -4.486 1.00 0.00 C ATOM 388 CG PHE T 25 -8.042 13.306 -5.822 1.00 0.00 C ATOM 389 CD1 PHE T 25 -6.937 13.806 -6.490 1.00 0.00 C ATOM 390 CD2 PHE T 25 -9.291 13.429 -6.409 1.00 0.00 C ATOM 391 CE1 PHE T 25 -7.073 14.416 -7.723 1.00 0.00 C ATOM 392 CE2 PHE T 25 -9.434 14.039 -7.641 1.00 0.00 C ATOM 393 CZ PHE T 25 -8.323 14.533 -8.299 1.00 0.00 C ATOM 0 H PHE T 25 -6.487 12.072 -2.551 1.00 0.00 H new ATOM 0 HA PHE T 25 -7.215 14.538 -3.723 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -7.060 11.941 -4.530 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -8.790 12.059 -4.278 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -5.958 13.718 -6.043 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -10.162 13.044 -5.899 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -6.203 14.800 -8.235 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -10.412 14.130 -8.089 1.00 0.00 H new ATOM 0 HZ PHE T 25 -8.432 15.010 -9.262 1.00 0.00 H new ATOM 403 N GLU T 26 -9.527 13.009 -1.935 1.00 0.00 N ATOM 404 CA GLU T 26 -10.804 13.194 -1.260 1.00 0.00 C ATOM 405 C GLU T 26 -10.639 13.153 0.255 1.00 0.00 C ATOM 406 O GLU T 26 -11.171 12.269 0.927 1.00 0.00 O ATOM 407 CB GLU T 26 -11.785 12.120 -1.717 1.00 0.00 C ATOM 408 CG GLU T 26 -11.430 11.532 -3.071 1.00 0.00 C ATOM 409 CD GLU T 26 -12.476 10.559 -3.578 1.00 0.00 C ATOM 410 OE1 GLU T 26 -13.662 10.945 -3.646 1.00 0.00 O ATOM 411 OE2 GLU T 26 -12.109 9.411 -3.907 1.00 0.00 O ATOM 0 H GLU T 26 -9.099 12.096 -1.783 1.00 0.00 H new ATOM 0 HA GLU T 26 -11.195 14.177 -1.524 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -11.812 11.321 -0.976 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.787 12.547 -1.763 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -11.310 12.340 -3.793 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.469 11.022 -3.001 1.00 0.00 H new ATOM 418 N GLY T 27 -9.901 14.122 0.783 1.00 0.00 N ATOM 419 CA GLY T 27 -9.676 14.197 2.212 1.00 0.00 C ATOM 420 C GLY T 27 -9.171 12.888 2.785 1.00 0.00 C ATOM 421 O GLY T 27 -9.649 12.430 3.824 1.00 0.00 O ATOM 0 H GLY T 27 -9.452 14.861 0.242 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -8.954 14.986 2.423 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -10.605 14.474 2.710 1.00 0.00 H new ATOM 425 N GLY T 28 -8.202 12.288 2.108 1.00 0.00 N ATOM 426 CA GLY T 28 -7.642 11.030 2.569 1.00 0.00 C ATOM 427 C GLY T 28 -6.179 11.175 2.941 1.00 0.00 C ATOM 428 O GLY T 28 -5.598 12.250 2.793 1.00 0.00 O ATOM 0 H GLY T 28 -7.792 12.649 1.247 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -8.204 10.675 3.433 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -7.747 10.276 1.789 1.00 0.00 H new ATOM 432 N HIS T 29 -5.582 10.090 3.425 1.00 0.00 N ATOM 433 CA HIS T 29 -4.176 10.105 3.819 1.00 0.00 C ATOM 434 C HIS T 29 -3.540 8.735 3.621 1.00 0.00 C ATOM 435 O HIS T 29 -4.110 7.713 4.001 1.00 0.00 O ATOM 436 CB HIS T 29 -4.031 10.535 5.280 1.00 0.00 C ATOM 437 CG HIS T 29 -5.340 10.772 5.968 1.00 0.00 C ATOM 438 ND1 HIS T 29 -6.145 11.861 5.704 1.00 0.00 N ATOM 439 CD2 HIS T 29 -5.986 10.051 6.916 1.00 0.00 C ATOM 440 CE1 HIS T 29 -7.227 11.799 6.459 1.00 0.00 C ATOM 441 NE2 HIS T 29 -7.155 10.711 7.203 1.00 0.00 N ATOM 0 H HIS T 29 -6.048 9.192 3.554 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.660 10.825 3.183 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -3.479 9.768 5.823 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -3.436 11.447 5.324 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -5.645 9.129 7.363 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -8.034 12.517 6.466 1.00 0.00 H new ATOM 0 HE2 HIS T 29 -7.855 10.410 7.881 1.00 0.00 H new ATOM 450 N LEU T 30 -2.353 8.724 3.024 1.00 0.00 N ATOM 451 CA LEU T 30 -1.630 7.488 2.774 1.00 0.00 C ATOM 452 C LEU T 30 -1.586 6.610 4.019 1.00 0.00 C ATOM 453 O LEU T 30 -1.423 7.102 5.134 1.00 0.00 O ATOM 454 CB LEU T 30 -0.209 7.801 2.313 1.00 0.00 C ATOM 455 CG LEU T 30 0.180 7.191 0.973 1.00 0.00 C ATOM 456 CD1 LEU T 30 1.370 7.926 0.375 1.00 0.00 C ATOM 457 CD2 LEU T 30 0.489 5.711 1.139 1.00 0.00 C ATOM 0 H LEU T 30 -1.871 9.564 2.704 1.00 0.00 H new ATOM 0 HA LEU T 30 -2.157 6.942 1.991 1.00 0.00 H new ATOM 0 HB2 LEU T 30 -0.093 8.883 2.250 1.00 0.00 H new ATOM 0 HB3 LEU T 30 0.489 7.449 3.072 1.00 0.00 H new ATOM 0 HG LEU T 30 -0.661 7.294 0.287 1.00 0.00 H new ATOM 0 HD11 LEU T 30 1.633 7.475 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU T 30 1.112 8.974 0.224 1.00 0.00 H new ATOM 0 HD13 LEU T 30 2.220 7.856 1.054 1.00 0.00 H new ATOM 0 HD21 LEU T 30 0.766 5.287 0.174 1.00 0.00 H new ATOM 0 HD22 LEU T 30 1.315 5.588 1.840 1.00 0.00 H new ATOM 0 HD23 LEU T 30 -0.392 5.196 1.523 1.00 0.00 H new ATOM 469 N ALA T 31 -1.720 5.303 3.815 1.00 0.00 N ATOM 470 CA ALA T 31 -1.682 4.352 4.915 1.00 0.00 C ATOM 471 C ALA T 31 -0.241 3.997 5.263 1.00 0.00 C ATOM 472 O ALA T 31 0.622 3.951 4.386 1.00 0.00 O ATOM 473 CB ALA T 31 -2.472 3.099 4.562 1.00 0.00 C ATOM 0 H ALA T 31 -1.856 4.881 2.897 1.00 0.00 H new ATOM 0 HA ALA T 31 -2.142 4.814 5.788 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.433 2.398 5.396 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -3.509 3.367 4.361 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -2.040 2.634 3.676 1.00 0.00 H new ATOM 479 N THR T 32 0.017 3.755 6.542 1.00 0.00 N ATOM 480 CA THR T 32 1.361 3.414 6.995 1.00 0.00 C ATOM 481 C THR T 32 1.508 1.918 7.220 1.00 0.00 C ATOM 482 O THR T 32 0.612 1.137 6.902 1.00 0.00 O ATOM 483 CB THR T 32 1.716 4.137 8.306 1.00 0.00 C ATOM 484 OG1 THR T 32 0.899 3.644 9.375 1.00 0.00 O ATOM 485 CG2 THR T 32 1.529 5.639 8.165 1.00 0.00 C ATOM 0 H THR T 32 -0.684 3.788 7.282 1.00 0.00 H new ATOM 0 HA THR T 32 2.041 3.735 6.206 1.00 0.00 H new ATOM 0 HB THR T 32 2.764 3.939 8.531 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.133 4.108 10.206 1.00 0.00 H new ATOM 0 HG21 THR T 32 1.786 6.127 9.105 1.00 0.00 H new ATOM 0 HG22 THR T 32 2.177 6.013 7.372 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.490 5.855 7.917 1.00 0.00 H new ATOM 493 N TYR T 33 2.645 1.531 7.784 1.00 0.00 N ATOM 494 CA TYR T 33 2.916 0.130 8.071 1.00 0.00 C ATOM 495 C TYR T 33 2.042 -0.348 9.217 1.00 0.00 C ATOM 496 O TYR T 33 1.180 -1.209 9.043 1.00 0.00 O ATOM 497 CB TYR T 33 4.389 -0.066 8.430 1.00 0.00 C ATOM 498 CG TYR T 33 4.767 -1.501 8.722 1.00 0.00 C ATOM 499 CD1 TYR T 33 4.746 -2.462 7.720 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.144 -1.894 10.000 1.00 0.00 C ATOM 501 CE1 TYR T 33 5.088 -3.774 7.982 1.00 0.00 C ATOM 502 CE2 TYR T 33 5.488 -3.205 10.271 1.00 0.00 C ATOM 503 CZ TYR T 33 5.459 -4.140 9.259 1.00 0.00 C ATOM 504 OH TYR T 33 5.801 -5.446 9.523 1.00 0.00 O ATOM 0 H TYR T 33 3.394 2.169 8.052 1.00 0.00 H new ATOM 0 HA TYR T 33 2.689 -0.455 7.179 1.00 0.00 H new ATOM 0 HB2 TYR T 33 5.004 0.301 7.608 1.00 0.00 H new ATOM 0 HB3 TYR T 33 4.624 0.545 9.301 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.457 -2.179 6.719 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.169 -1.163 10.795 1.00 0.00 H new ATOM 0 HE1 TYR T 33 5.065 -4.509 7.191 1.00 0.00 H new ATOM 0 HE2 TYR T 33 5.778 -3.495 11.270 1.00 0.00 H new ATOM 0 HH TYR T 33 6.038 -5.537 10.469 1.00 0.00 H new ATOM 514 N LYS T 34 2.272 0.227 10.389 1.00 0.00 N ATOM 515 CA LYS T 34 1.509 -0.123 11.577 1.00 0.00 C ATOM 516 C LYS T 34 0.015 -0.099 11.279 1.00 0.00 C ATOM 517 O LYS T 34 -0.736 -0.953 11.751 1.00 0.00 O ATOM 518 CB LYS T 34 1.831 0.839 12.722 1.00 0.00 C ATOM 519 CG LYS T 34 3.296 0.860 13.125 1.00 0.00 C ATOM 520 CD LYS T 34 3.514 1.672 14.391 1.00 0.00 C ATOM 521 CE LYS T 34 4.960 1.607 14.853 1.00 0.00 C ATOM 522 NZ LYS T 34 5.595 2.953 14.882 1.00 0.00 N ATOM 0 H LYS T 34 2.984 0.941 10.542 1.00 0.00 H new ATOM 0 HA LYS T 34 1.789 -1.133 11.878 1.00 0.00 H new ATOM 0 HB2 LYS T 34 1.531 1.846 12.431 1.00 0.00 H new ATOM 0 HB3 LYS T 34 1.231 0.566 13.590 1.00 0.00 H new ATOM 0 HG2 LYS T 34 3.646 -0.160 13.281 1.00 0.00 H new ATOM 0 HG3 LYS T 34 3.891 1.281 12.315 1.00 0.00 H new ATOM 0 HD2 LYS T 34 3.235 2.710 14.211 1.00 0.00 H new ATOM 0 HD3 LYS T 34 2.862 1.299 15.181 1.00 0.00 H new ATOM 0 HE2 LYS T 34 5.004 1.164 15.848 1.00 0.00 H new ATOM 0 HE3 LYS T 34 5.525 0.954 14.188 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 6.581 2.865 15.202 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 5.577 3.366 13.928 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 5.072 3.570 15.536 1.00 0.00 H new ATOM 536 N GLN T 35 -0.412 0.883 10.488 1.00 0.00 N ATOM 537 CA GLN T 35 -1.814 1.010 10.124 1.00 0.00 C ATOM 538 C GLN T 35 -2.252 -0.172 9.269 1.00 0.00 C ATOM 539 O GLN T 35 -3.229 -0.853 9.584 1.00 0.00 O ATOM 540 CB GLN T 35 -2.044 2.321 9.372 1.00 0.00 C ATOM 541 CG GLN T 35 -1.863 3.555 10.240 1.00 0.00 C ATOM 542 CD GLN T 35 -2.167 4.842 9.500 1.00 0.00 C ATOM 543 OE1 GLN T 35 -2.370 4.842 8.286 1.00 0.00 O ATOM 544 NE2 GLN T 35 -2.198 5.951 10.232 1.00 0.00 N ATOM 0 H GLN T 35 0.195 1.599 10.089 1.00 0.00 H new ATOM 0 HA GLN T 35 -2.411 1.017 11.036 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.354 2.374 8.530 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -3.052 2.322 8.958 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -2.514 3.480 11.111 1.00 0.00 H new ATOM 0 HG3 GLN T 35 -0.838 3.587 10.609 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -2.024 5.904 11.236 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -2.396 6.849 9.790 1.00 0.00 H new ATOM 553 N LEU T 36 -1.511 -0.422 8.195 1.00 0.00 N ATOM 554 CA LEU T 36 -1.818 -1.534 7.306 1.00 0.00 C ATOM 555 C LEU T 36 -1.822 -2.840 8.088 1.00 0.00 C ATOM 556 O LEU T 36 -2.509 -3.795 7.727 1.00 0.00 O ATOM 557 CB LEU T 36 -0.803 -1.607 6.165 1.00 0.00 C ATOM 558 CG LEU T 36 -1.403 -1.726 4.763 1.00 0.00 C ATOM 559 CD1 LEU T 36 -1.908 -3.140 4.519 1.00 0.00 C ATOM 560 CD2 LEU T 36 -2.526 -0.718 4.578 1.00 0.00 C ATOM 0 H LEU T 36 -0.697 0.128 7.921 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.807 -1.373 6.877 1.00 0.00 H new ATOM 0 HB2 LEU T 36 -0.177 -0.715 6.200 1.00 0.00 H new ATOM 0 HB3 LEU T 36 -0.149 -2.462 6.336 1.00 0.00 H new ATOM 0 HG LEU T 36 -0.623 -1.509 4.033 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -2.332 -3.207 3.517 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -1.080 -3.843 4.611 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -2.675 -3.384 5.254 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -2.942 -0.816 3.575 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -3.307 -0.905 5.315 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -2.135 0.291 4.711 1.00 0.00 H new ATOM 572 N GLU T 37 -1.052 -2.866 9.170 1.00 0.00 N ATOM 573 CA GLU T 37 -0.964 -4.040 10.024 1.00 0.00 C ATOM 574 C GLU T 37 -2.263 -4.241 10.784 1.00 0.00 C ATOM 575 O GLU T 37 -2.922 -5.274 10.659 1.00 0.00 O ATOM 576 CB GLU T 37 0.189 -3.883 11.015 1.00 0.00 C ATOM 577 CG GLU T 37 0.420 -5.114 11.872 1.00 0.00 C ATOM 578 CD GLU T 37 0.998 -4.779 13.234 1.00 0.00 C ATOM 579 OE1 GLU T 37 0.232 -4.321 14.106 1.00 0.00 O ATOM 580 OE2 GLU T 37 2.217 -4.974 13.425 1.00 0.00 O ATOM 0 H GLU T 37 -0.477 -2.081 9.476 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.783 -4.911 9.395 1.00 0.00 H new ATOM 0 HB2 GLU T 37 1.102 -3.656 10.465 1.00 0.00 H new ATOM 0 HB3 GLU T 37 -0.013 -3.031 11.664 1.00 0.00 H new ATOM 0 HG2 GLU T 37 -0.524 -5.643 12.003 1.00 0.00 H new ATOM 0 HG3 GLU T 37 1.096 -5.792 11.352 1.00 0.00 H new ATOM 587 N ALA T 38 -2.621 -3.239 11.572 1.00 0.00 N ATOM 588 CA ALA T 38 -3.840 -3.281 12.365 1.00 0.00 C ATOM 589 C ALA T 38 -5.054 -3.572 11.491 1.00 0.00 C ATOM 590 O ALA T 38 -6.095 -4.009 11.983 1.00 0.00 O ATOM 591 CB ALA T 38 -4.028 -1.972 13.116 1.00 0.00 C ATOM 0 H ALA T 38 -2.080 -2.381 11.680 1.00 0.00 H new ATOM 0 HA ALA T 38 -3.745 -4.090 13.089 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -4.944 -2.019 13.705 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -3.179 -1.808 13.779 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -4.096 -1.150 12.403 1.00 0.00 H new ATOM 597 N ALA T 39 -4.909 -3.343 10.191 1.00 0.00 N ATOM 598 CA ALA T 39 -5.989 -3.598 9.247 1.00 0.00 C ATOM 599 C ALA T 39 -5.873 -5.013 8.707 1.00 0.00 C ATOM 600 O ALA T 39 -6.869 -5.677 8.429 1.00 0.00 O ATOM 601 CB ALA T 39 -5.957 -2.587 8.111 1.00 0.00 C ATOM 0 H ALA T 39 -4.054 -2.981 9.767 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.943 -3.494 9.764 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.771 -2.794 7.417 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -6.072 -1.581 8.516 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -5.005 -2.660 7.586 1.00 0.00 H new ATOM 607 N ARG T 40 -4.637 -5.466 8.585 1.00 0.00 N ATOM 608 CA ARG T 40 -4.344 -6.802 8.107 1.00 0.00 C ATOM 609 C ARG T 40 -4.750 -7.825 9.153 1.00 0.00 C ATOM 610 O ARG T 40 -5.171 -8.936 8.830 1.00 0.00 O ATOM 611 CB ARG T 40 -2.851 -6.917 7.818 1.00 0.00 C ATOM 612 CG ARG T 40 -2.375 -8.344 7.609 1.00 0.00 C ATOM 613 CD ARG T 40 -1.382 -8.769 8.679 1.00 0.00 C ATOM 614 NE ARG T 40 -1.793 -9.995 9.357 1.00 0.00 N ATOM 615 CZ ARG T 40 -0.942 -10.933 9.762 1.00 0.00 C ATOM 616 NH1 ARG T 40 0.360 -10.784 9.561 1.00 0.00 N ATOM 617 NH2 ARG T 40 -1.394 -12.022 10.369 1.00 0.00 N ATOM 0 H ARG T 40 -3.809 -4.916 8.815 1.00 0.00 H new ATOM 0 HA ARG T 40 -4.906 -6.993 7.193 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.616 -6.332 6.929 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -2.295 -6.476 8.646 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -3.231 -9.018 7.619 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -1.911 -8.433 6.627 1.00 0.00 H new ATOM 0 HD2 ARG T 40 -0.402 -8.918 8.225 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -1.275 -7.969 9.412 1.00 0.00 H new ATOM 0 HE ARG T 40 -2.788 -10.140 9.530 1.00 0.00 H new ATOM 0 HH11 ARG T 40 0.712 -9.948 9.094 1.00 0.00 H new ATOM 0 HH12 ARG T 40 1.010 -11.505 9.873 1.00 0.00 H new ATOM 0 HH21 ARG T 40 -2.395 -12.140 10.525 1.00 0.00 H new ATOM 0 HH22 ARG T 40 -0.741 -12.741 10.679 1.00 0.00 H new ATOM 631 N LYS T 41 -4.614 -7.436 10.416 1.00 0.00 N ATOM 632 CA LYS T 41 -4.960 -8.309 11.524 1.00 0.00 C ATOM 633 C LYS T 41 -6.457 -8.585 11.557 1.00 0.00 C ATOM 634 O LYS T 41 -6.905 -9.572 12.142 1.00 0.00 O ATOM 635 CB LYS T 41 -4.513 -7.693 12.848 1.00 0.00 C ATOM 636 CG LYS T 41 -3.031 -7.366 12.889 1.00 0.00 C ATOM 637 CD LYS T 41 -2.431 -7.667 14.253 1.00 0.00 C ATOM 638 CE LYS T 41 -0.974 -7.243 14.327 1.00 0.00 C ATOM 639 NZ LYS T 41 -0.410 -7.432 15.693 1.00 0.00 N ATOM 0 H LYS T 41 -4.265 -6.519 10.695 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.440 -9.256 11.379 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -5.084 -6.782 13.028 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -4.748 -8.382 13.659 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -2.509 -7.943 12.126 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -2.883 -6.313 12.650 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -3.001 -7.149 15.025 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -2.511 -8.734 14.459 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -0.391 -7.821 13.610 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -0.886 -6.195 14.039 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 0.586 -7.131 15.702 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 -0.950 -6.861 16.374 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 -0.471 -8.436 15.958 1.00 0.00 H new ATOM 653 N ILE T 42 -7.227 -7.709 10.922 1.00 0.00 N ATOM 654 CA ILE T 42 -8.670 -7.859 10.873 1.00 0.00 C ATOM 655 C ILE T 42 -9.075 -8.698 9.671 1.00 0.00 C ATOM 656 O ILE T 42 -10.146 -9.303 9.648 1.00 0.00 O ATOM 657 CB ILE T 42 -9.359 -6.487 10.789 1.00 0.00 C ATOM 658 CG1 ILE T 42 -9.265 -5.947 9.364 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.718 -5.516 11.771 1.00 0.00 C ATOM 660 CD1 ILE T 42 -10.568 -5.386 8.836 1.00 0.00 C ATOM 0 H ILE T 42 -6.872 -6.887 10.434 1.00 0.00 H new ATOM 0 HA ILE T 42 -8.986 -8.360 11.788 1.00 0.00 H new ATOM 0 HB ILE T 42 -10.411 -6.599 11.053 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -8.504 -5.167 9.330 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -8.931 -6.747 8.704 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -9.214 -4.548 11.702 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.819 -5.904 12.785 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -7.661 -5.400 11.530 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -10.422 -5.022 7.819 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -11.327 -6.168 8.836 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.894 -4.563 9.472 1.00 0.00 H new ATOM 672 N GLY T 43 -8.199 -8.728 8.670 1.00 0.00 N ATOM 673 CA GLY T 43 -8.469 -9.495 7.471 1.00 0.00 C ATOM 674 C GLY T 43 -8.001 -8.780 6.218 1.00 0.00 C ATOM 675 O GLY T 43 -8.406 -9.135 5.112 1.00 0.00 O ATOM 0 H GLY T 43 -7.307 -8.234 8.670 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -7.974 -10.463 7.542 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -9.539 -9.689 7.399 1.00 0.00 H new ATOM 679 N PHE T 44 -7.145 -7.772 6.383 1.00 0.00 N ATOM 680 CA PHE T 44 -6.636 -7.024 5.241 1.00 0.00 C ATOM 681 C PHE T 44 -5.574 -7.826 4.495 1.00 0.00 C ATOM 682 O PHE T 44 -4.655 -8.375 5.103 1.00 0.00 O ATOM 683 CB PHE T 44 -6.049 -5.684 5.686 1.00 0.00 C ATOM 684 CG PHE T 44 -6.053 -4.639 4.603 1.00 0.00 C ATOM 685 CD1 PHE T 44 -6.596 -4.919 3.358 1.00 0.00 C ATOM 686 CD2 PHE T 44 -5.516 -3.379 4.825 1.00 0.00 C ATOM 687 CE1 PHE T 44 -6.603 -3.967 2.357 1.00 0.00 C ATOM 688 CE2 PHE T 44 -5.519 -2.422 3.825 1.00 0.00 C ATOM 689 CZ PHE T 44 -6.064 -2.718 2.591 1.00 0.00 C ATOM 0 H PHE T 44 -6.794 -7.459 7.288 1.00 0.00 H new ATOM 0 HA PHE T 44 -7.474 -6.837 4.569 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -6.616 -5.313 6.540 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -5.025 -5.840 6.026 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -7.019 -5.894 3.168 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -5.091 -3.142 5.789 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -7.030 -4.200 1.393 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -5.096 -1.446 4.009 1.00 0.00 H new ATOM 0 HZ PHE T 44 -6.068 -1.973 1.809 1.00 0.00 H new ATOM 699 N HIS T 45 -5.704 -7.884 3.173 1.00 0.00 N ATOM 700 CA HIS T 45 -4.752 -8.613 2.343 1.00 0.00 C ATOM 701 C HIS T 45 -4.750 -8.074 0.918 1.00 0.00 C ATOM 702 O HIS T 45 -5.787 -8.030 0.257 1.00 0.00 O ATOM 703 CB HIS T 45 -5.082 -10.107 2.331 1.00 0.00 C ATOM 704 CG HIS T 45 -4.109 -10.937 1.551 1.00 0.00 C ATOM 705 ND1 HIS T 45 -3.815 -12.248 1.866 1.00 0.00 N ATOM 706 CD2 HIS T 45 -3.359 -10.639 0.462 1.00 0.00 C ATOM 707 CE1 HIS T 45 -2.928 -12.717 1.005 1.00 0.00 C ATOM 708 NE2 HIS T 45 -2.637 -11.761 0.144 1.00 0.00 N ATOM 0 H HIS T 45 -6.459 -7.435 2.654 1.00 0.00 H new ATOM 0 HA HIS T 45 -3.759 -8.473 2.771 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.113 -10.471 3.358 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.079 -10.246 1.913 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -3.334 -9.693 -0.059 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -2.512 -13.714 1.006 1.00 0.00 H new ATOM 0 HE2 HIS T 45 -1.981 -11.843 -0.633 1.00 0.00 H new ATOM 717 N VAL T 46 -3.573 -7.673 0.448 1.00 0.00 N ATOM 718 CA VAL T 46 -3.431 -7.147 -0.903 1.00 0.00 C ATOM 719 C VAL T 46 -2.072 -7.512 -1.492 1.00 0.00 C ATOM 720 O VAL T 46 -1.104 -6.765 -1.351 1.00 0.00 O ATOM 721 CB VAL T 46 -3.594 -5.614 -0.943 1.00 0.00 C ATOM 722 CG1 VAL T 46 -4.422 -5.202 -2.148 1.00 0.00 C ATOM 723 CG2 VAL T 46 -4.225 -5.096 0.341 1.00 0.00 C ATOM 0 H VAL T 46 -2.705 -7.703 0.983 1.00 0.00 H new ATOM 0 HA VAL T 46 -4.224 -7.601 -1.497 1.00 0.00 H new ATOM 0 HB VAL T 46 -2.602 -5.170 -1.032 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -4.528 -4.117 -2.163 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -3.925 -5.530 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -5.408 -5.662 -2.087 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -4.328 -4.012 0.285 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -5.209 -5.547 0.471 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -3.591 -5.357 1.189 1.00 0.00 H new ATOM 733 N CYS T 47 -2.009 -8.664 -2.155 1.00 0.00 N ATOM 734 CA CYS T 47 -0.768 -9.125 -2.770 1.00 0.00 C ATOM 735 C CYS T 47 -0.341 -8.184 -3.892 1.00 0.00 C ATOM 736 O CYS T 47 -0.483 -8.501 -5.072 1.00 0.00 O ATOM 737 CB CYS T 47 -0.938 -10.544 -3.314 1.00 0.00 C ATOM 738 SG CYS T 47 0.568 -11.566 -3.209 1.00 0.00 S ATOM 0 H CYS T 47 -2.801 -9.294 -2.280 1.00 0.00 H new ATOM 0 HA CYS T 47 0.009 -9.130 -2.006 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -1.739 -11.039 -2.765 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -1.254 -10.487 -4.356 1.00 0.00 H new ATOM 0 HG CYS T 47 0.324 -12.749 -3.691 1.00 0.00 H new ATOM 743 N ALA T 48 0.180 -7.023 -3.510 1.00 0.00 N ATOM 744 CA ALA T 48 0.627 -6.026 -4.475 1.00 0.00 C ATOM 745 C ALA T 48 1.274 -4.841 -3.768 1.00 0.00 C ATOM 746 O ALA T 48 0.636 -4.166 -2.961 1.00 0.00 O ATOM 747 CB ALA T 48 -0.541 -5.562 -5.331 1.00 0.00 C ATOM 0 H ALA T 48 0.303 -6.749 -2.535 1.00 0.00 H new ATOM 0 HA ALA T 48 1.375 -6.484 -5.122 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.194 -4.818 -6.048 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -0.960 -6.414 -5.867 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.307 -5.122 -4.693 1.00 0.00 H new ATOM 753 N ALA T 49 2.545 -4.598 -4.074 1.00 0.00 N ATOM 754 CA ALA T 49 3.283 -3.498 -3.466 1.00 0.00 C ATOM 755 C ALA T 49 2.395 -2.273 -3.277 1.00 0.00 C ATOM 756 O ALA T 49 1.941 -1.667 -4.246 1.00 0.00 O ATOM 757 CB ALA T 49 4.494 -3.147 -4.315 1.00 0.00 C ATOM 0 H ALA T 49 3.085 -5.150 -4.741 1.00 0.00 H new ATOM 0 HA ALA T 49 3.621 -3.821 -2.481 1.00 0.00 H new ATOM 0 HB1 ALA T 49 5.038 -2.324 -3.851 1.00 0.00 H new ATOM 0 HB2 ALA T 49 5.148 -4.016 -4.393 1.00 0.00 H new ATOM 0 HB3 ALA T 49 4.166 -2.849 -5.311 1.00 0.00 H new ATOM 763 N GLY T 50 2.154 -1.912 -2.022 1.00 0.00 N ATOM 764 CA GLY T 50 1.323 -0.760 -1.729 1.00 0.00 C ATOM 765 C GLY T 50 2.097 0.361 -1.066 1.00 0.00 C ATOM 766 O GLY T 50 2.688 0.172 -0.002 1.00 0.00 O ATOM 0 H GLY T 50 2.519 -2.397 -1.202 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.878 -0.392 -2.654 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.502 -1.064 -1.079 1.00 0.00 H new ATOM 770 N TRP T 51 2.102 1.529 -1.698 1.00 0.00 N ATOM 771 CA TRP T 51 2.818 2.683 -1.167 1.00 0.00 C ATOM 772 C TRP T 51 2.392 3.000 0.261 1.00 0.00 C ATOM 773 O TRP T 51 1.246 2.773 0.648 1.00 0.00 O ATOM 774 CB TRP T 51 2.594 3.901 -2.060 1.00 0.00 C ATOM 775 CG TRP T 51 3.450 3.889 -3.284 1.00 0.00 C ATOM 776 CD1 TRP T 51 3.046 3.647 -4.563 1.00 0.00 C ATOM 777 CD2 TRP T 51 4.859 4.117 -3.339 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.123 3.712 -5.415 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.249 4.001 -4.685 1.00 0.00 C ATOM 780 CE3 TRP T 51 5.832 4.410 -2.378 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.569 4.168 -5.096 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.141 4.576 -2.785 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.500 4.455 -4.133 1.00 0.00 C ATOM 0 H TRP T 51 1.618 1.702 -2.579 1.00 0.00 H new ATOM 0 HA TRP T 51 3.879 2.435 -1.153 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.546 3.940 -2.356 1.00 0.00 H new ATOM 0 HB3 TRP T 51 2.798 4.807 -1.489 1.00 0.00 H new ATOM 0 HD1 TRP T 51 2.030 3.435 -4.863 1.00 0.00 H new ATOM 0 HE1 TRP T 51 4.091 3.569 -6.424 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.564 4.505 -1.336 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 6.848 4.075 -6.135 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 7.900 4.803 -2.051 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.532 4.591 -4.419 1.00 0.00 H new ATOM 794 N MET T 52 3.332 3.528 1.038 1.00 0.00 N ATOM 795 CA MET T 52 3.076 3.884 2.427 1.00 0.00 C ATOM 796 C MET T 52 4.249 4.666 3.006 1.00 0.00 C ATOM 797 O MET T 52 5.251 4.892 2.328 1.00 0.00 O ATOM 798 CB MET T 52 2.824 2.627 3.263 1.00 0.00 C ATOM 799 CG MET T 52 3.470 1.373 2.697 1.00 0.00 C ATOM 800 SD MET T 52 4.779 0.724 3.754 1.00 0.00 S ATOM 801 CE MET T 52 3.923 -0.629 4.556 1.00 0.00 C ATOM 0 H MET T 52 4.284 3.719 0.726 1.00 0.00 H new ATOM 0 HA MET T 52 2.187 4.513 2.458 1.00 0.00 H new ATOM 0 HB2 MET T 52 3.199 2.793 4.273 1.00 0.00 H new ATOM 0 HB3 MET T 52 1.749 2.466 3.344 1.00 0.00 H new ATOM 0 HG2 MET T 52 2.707 0.607 2.559 1.00 0.00 H new ATOM 0 HG3 MET T 52 3.881 1.594 1.712 1.00 0.00 H new ATOM 0 HE1 MET T 52 4.616 -1.165 5.204 1.00 0.00 H new ATOM 0 HE2 MET T 52 3.099 -0.236 5.152 1.00 0.00 H new ATOM 0 HE3 MET T 52 3.532 -1.311 3.801 1.00 0.00 H new ATOM 811 N ALA T 53 4.123 5.070 4.265 1.00 0.00 N ATOM 812 CA ALA T 53 5.176 5.820 4.938 1.00 0.00 C ATOM 813 C ALA T 53 5.641 7.005 4.100 1.00 0.00 C ATOM 814 O ALA T 53 4.982 7.401 3.138 1.00 0.00 O ATOM 815 CB ALA T 53 6.344 4.902 5.254 1.00 0.00 C ATOM 0 H ALA T 53 3.300 4.890 4.841 1.00 0.00 H new ATOM 0 HA ALA T 53 4.769 6.215 5.869 1.00 0.00 H new ATOM 0 HB1 ALA T 53 7.127 5.469 5.757 1.00 0.00 H new ATOM 0 HB2 ALA T 53 6.007 4.095 5.904 1.00 0.00 H new ATOM 0 HB3 ALA T 53 6.738 4.482 4.328 1.00 0.00 H new ATOM 821 N LYS T 54 6.781 7.570 4.482 1.00 0.00 N ATOM 822 CA LYS T 54 7.346 8.717 3.779 1.00 0.00 C ATOM 823 C LYS T 54 7.720 8.362 2.343 1.00 0.00 C ATOM 824 O LYS T 54 8.079 9.236 1.554 1.00 0.00 O ATOM 825 CB LYS T 54 8.577 9.236 4.524 1.00 0.00 C ATOM 826 CG LYS T 54 8.448 10.676 4.996 1.00 0.00 C ATOM 827 CD LYS T 54 8.960 11.658 3.955 1.00 0.00 C ATOM 828 CE LYS T 54 8.448 13.065 4.220 1.00 0.00 C ATOM 829 NZ LYS T 54 6.972 13.095 4.416 1.00 0.00 N ATOM 0 H LYS T 54 7.334 7.251 5.278 1.00 0.00 H new ATOM 0 HA LYS T 54 6.585 9.497 3.747 1.00 0.00 H new ATOM 0 HB2 LYS T 54 8.764 8.596 5.386 1.00 0.00 H new ATOM 0 HB3 LYS T 54 9.446 9.154 3.871 1.00 0.00 H new ATOM 0 HG2 LYS T 54 7.403 10.894 5.218 1.00 0.00 H new ATOM 0 HG3 LYS T 54 9.005 10.806 5.924 1.00 0.00 H new ATOM 0 HD2 LYS T 54 10.050 11.659 3.959 1.00 0.00 H new ATOM 0 HD3 LYS T 54 8.645 11.336 2.963 1.00 0.00 H new ATOM 0 HE2 LYS T 54 8.939 13.469 5.105 1.00 0.00 H new ATOM 0 HE3 LYS T 54 8.716 13.711 3.384 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 6.578 13.942 3.958 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 6.548 12.244 3.993 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 6.757 13.120 5.433 1.00 0.00 H new ATOM 843 N GLY T 55 7.638 7.079 2.007 1.00 0.00 N ATOM 844 CA GLY T 55 7.974 6.643 0.665 1.00 0.00 C ATOM 845 C GLY T 55 8.280 5.160 0.615 1.00 0.00 C ATOM 846 O GLY T 55 8.895 4.678 -0.338 1.00 0.00 O ATOM 0 H GLY T 55 7.345 6.334 2.640 1.00 0.00 H new ATOM 0 HA2 GLY T 55 7.146 6.866 -0.008 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.836 7.204 0.306 1.00 0.00 H new ATOM 850 N ARG T 56 7.850 4.433 1.640 1.00 0.00 N ATOM 851 CA ARG T 56 8.081 2.996 1.708 1.00 0.00 C ATOM 852 C ARG T 56 6.904 2.229 1.115 1.00 0.00 C ATOM 853 O ARG T 56 5.747 2.535 1.396 1.00 0.00 O ATOM 854 CB ARG T 56 8.308 2.563 3.156 1.00 0.00 C ATOM 855 CG ARG T 56 9.775 2.434 3.526 1.00 0.00 C ATOM 856 CD ARG T 56 10.099 3.213 4.791 1.00 0.00 C ATOM 857 NE ARG T 56 9.201 2.873 5.890 1.00 0.00 N ATOM 858 CZ ARG T 56 9.604 2.700 7.145 1.00 0.00 C ATOM 859 NH1 ARG T 56 10.886 2.834 7.457 1.00 0.00 N ATOM 860 NH2 ARG T 56 8.725 2.394 8.089 1.00 0.00 N ATOM 0 H ARG T 56 7.339 4.816 2.436 1.00 0.00 H new ATOM 0 HA ARG T 56 8.973 2.768 1.124 1.00 0.00 H new ATOM 0 HB2 ARG T 56 7.836 3.286 3.821 1.00 0.00 H new ATOM 0 HB3 ARG T 56 7.814 1.606 3.323 1.00 0.00 H new ATOM 0 HG2 ARG T 56 10.024 1.383 3.670 1.00 0.00 H new ATOM 0 HG3 ARG T 56 10.392 2.798 2.705 1.00 0.00 H new ATOM 0 HD2 ARG T 56 11.128 3.010 5.088 1.00 0.00 H new ATOM 0 HD3 ARG T 56 10.032 4.281 4.586 1.00 0.00 H new ATOM 0 HE ARG T 56 8.208 2.762 5.684 1.00 0.00 H new ATOM 0 HH11 ARG T 56 11.565 3.070 6.733 1.00 0.00 H new ATOM 0 HH12 ARG T 56 11.193 2.701 8.421 1.00 0.00 H new ATOM 0 HH21 ARG T 56 7.738 2.291 7.853 1.00 0.00 H new ATOM 0 HH22 ARG T 56 9.036 2.262 9.051 1.00 0.00 H new ATOM 874 N VAL T 57 7.210 1.232 0.292 1.00 0.00 N ATOM 875 CA VAL T 57 6.177 0.420 -0.341 1.00 0.00 C ATOM 876 C VAL T 57 6.461 -1.067 -0.152 1.00 0.00 C ATOM 877 O VAL T 57 7.421 -1.603 -0.704 1.00 0.00 O ATOM 878 CB VAL T 57 6.061 0.733 -1.848 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.408 1.156 -2.411 1.00 0.00 C ATOM 880 CG2 VAL T 57 5.506 -0.462 -2.609 1.00 0.00 C ATOM 0 H VAL T 57 8.164 0.967 0.048 1.00 0.00 H new ATOM 0 HA VAL T 57 5.232 0.668 0.142 1.00 0.00 H new ATOM 0 HB VAL T 57 5.364 1.562 -1.972 1.00 0.00 H new ATOM 0 HG11 VAL T 57 7.306 1.372 -3.474 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.756 2.048 -1.891 1.00 0.00 H new ATOM 0 HG13 VAL T 57 8.129 0.351 -2.272 1.00 0.00 H new ATOM 0 HG21 VAL T 57 5.434 -0.217 -3.669 1.00 0.00 H new ATOM 0 HG22 VAL T 57 6.170 -1.317 -2.479 1.00 0.00 H new ATOM 0 HG23 VAL T 57 4.516 -0.710 -2.226 1.00 0.00 H new ATOM 890 N GLY T 58 5.617 -1.729 0.637 1.00 0.00 N ATOM 891 CA GLY T 58 5.792 -3.146 0.888 1.00 0.00 C ATOM 892 C GLY T 58 4.665 -3.976 0.306 1.00 0.00 C ATOM 893 O GLY T 58 3.816 -3.458 -0.417 1.00 0.00 O ATOM 0 H GLY T 58 4.816 -1.307 1.106 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.740 -3.474 0.461 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.850 -3.318 1.963 1.00 0.00 H new ATOM 897 N TYR T 59 4.656 -5.268 0.622 1.00 0.00 N ATOM 898 CA TYR T 59 3.622 -6.166 0.121 1.00 0.00 C ATOM 899 C TYR T 59 2.890 -6.854 1.271 1.00 0.00 C ATOM 900 O TYR T 59 3.191 -7.997 1.615 1.00 0.00 O ATOM 901 CB TYR T 59 4.230 -7.217 -0.812 1.00 0.00 C ATOM 902 CG TYR T 59 5.548 -6.790 -1.422 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.645 -5.622 -2.169 1.00 0.00 C ATOM 904 CD2 TYR T 59 6.692 -7.557 -1.251 1.00 0.00 C ATOM 905 CE1 TYR T 59 6.847 -5.233 -2.729 1.00 0.00 C ATOM 906 CE2 TYR T 59 7.898 -7.173 -1.807 1.00 0.00 C ATOM 907 CZ TYR T 59 7.969 -6.011 -2.546 1.00 0.00 C ATOM 908 OH TYR T 59 9.168 -5.626 -3.101 1.00 0.00 O ATOM 0 H TYR T 59 5.351 -5.715 1.221 1.00 0.00 H new ATOM 0 HA TYR T 59 2.903 -5.568 -0.438 1.00 0.00 H new ATOM 0 HB2 TYR T 59 4.379 -8.143 -0.256 1.00 0.00 H new ATOM 0 HB3 TYR T 59 3.522 -7.435 -1.612 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.768 -5.009 -2.314 1.00 0.00 H new ATOM 0 HD2 TYR T 59 6.639 -8.469 -0.674 1.00 0.00 H new ATOM 0 HE1 TYR T 59 6.906 -4.323 -3.308 1.00 0.00 H new ATOM 0 HE2 TYR T 59 8.780 -7.780 -1.663 1.00 0.00 H new ATOM 0 HH TYR T 59 9.859 -6.284 -2.876 1.00 0.00 H new ATOM 918 N PRO T 60 1.916 -6.160 1.880 1.00 0.00 N ATOM 919 CA PRO T 60 1.133 -6.705 2.997 1.00 0.00 C ATOM 920 C PRO T 60 0.382 -7.974 2.608 1.00 0.00 C ATOM 921 O PRO T 60 -0.364 -7.989 1.629 1.00 0.00 O ATOM 922 CB PRO T 60 0.146 -5.583 3.334 1.00 0.00 C ATOM 923 CG PRO T 60 0.716 -4.350 2.726 1.00 0.00 C ATOM 924 CD PRO T 60 1.501 -4.794 1.526 1.00 0.00 C ATOM 0 HA PRO T 60 1.769 -6.991 3.835 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -0.843 -5.797 2.930 1.00 0.00 H new ATOM 0 HB3 PRO T 60 0.033 -5.472 4.412 1.00 0.00 H new ATOM 0 HG2 PRO T 60 -0.075 -3.657 2.438 1.00 0.00 H new ATOM 0 HG3 PRO T 60 1.355 -3.826 3.437 1.00 0.00 H new ATOM 0 HD2 PRO T 60 0.894 -4.780 0.621 1.00 0.00 H new ATOM 0 HD3 PRO T 60 2.359 -4.147 1.345 1.00 0.00 H new ATOM 932 N ILE T 61 0.583 -9.037 3.379 1.00 0.00 N ATOM 933 CA ILE T 61 -0.077 -10.310 3.113 1.00 0.00 C ATOM 934 C ILE T 61 -0.711 -10.878 4.378 1.00 0.00 C ATOM 935 O ILE T 61 -0.092 -10.896 5.441 1.00 0.00 O ATOM 936 CB ILE T 61 0.911 -11.346 2.541 1.00 0.00 C ATOM 937 CG1 ILE T 61 1.662 -10.761 1.343 1.00 0.00 C ATOM 938 CG2 ILE T 61 0.175 -12.617 2.144 1.00 0.00 C ATOM 939 CD1 ILE T 61 0.779 -10.501 0.141 1.00 0.00 C ATOM 0 H ILE T 61 1.198 -9.043 4.193 1.00 0.00 H new ATOM 0 HA ILE T 61 -0.856 -10.113 2.376 1.00 0.00 H new ATOM 0 HB ILE T 61 1.638 -11.597 3.313 1.00 0.00 H new ATOM 0 HG12 ILE T 61 2.136 -9.827 1.643 1.00 0.00 H new ATOM 0 HG13 ILE T 61 2.460 -11.446 1.056 1.00 0.00 H new ATOM 0 HG21 ILE T 61 0.886 -13.339 1.742 1.00 0.00 H new ATOM 0 HG22 ILE T 61 -0.317 -13.041 3.019 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -0.572 -12.383 1.386 1.00 0.00 H new ATOM 0 HD11 ILE T 61 1.380 -10.087 -0.669 1.00 0.00 H new ATOM 0 HD12 ILE T 61 0.325 -11.436 -0.186 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -0.004 -9.792 0.411 1.00 0.00 H new ATOM 951 N VAL T 62 -1.951 -11.343 4.254 1.00 0.00 N ATOM 952 CA VAL T 62 -2.671 -11.913 5.387 1.00 0.00 C ATOM 953 C VAL T 62 -2.683 -13.437 5.318 1.00 0.00 C ATOM 954 O VAL T 62 -2.559 -14.116 6.337 1.00 0.00 O ATOM 955 CB VAL T 62 -4.121 -11.391 5.448 1.00 0.00 C ATOM 956 CG1 VAL T 62 -5.084 -12.388 4.822 1.00 0.00 C ATOM 957 CG2 VAL T 62 -4.516 -11.085 6.885 1.00 0.00 C ATOM 0 H VAL T 62 -2.477 -11.336 3.380 1.00 0.00 H new ATOM 0 HA VAL T 62 -2.147 -11.602 6.290 1.00 0.00 H new ATOM 0 HB VAL T 62 -4.176 -10.467 4.873 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -6.100 -11.997 4.877 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -4.814 -12.549 3.778 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -5.030 -13.334 5.361 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -5.542 -10.718 6.910 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -4.441 -11.992 7.484 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -3.849 -10.325 7.292 1.00 0.00 H new ATOM 1104 N THR T 73 4.814 -13.693 5.173 1.00 0.00 N ATOM 1105 CA THR T 73 4.069 -13.314 6.365 1.00 0.00 C ATOM 1106 C THR T 73 4.276 -11.841 6.700 1.00 0.00 C ATOM 1107 O THR T 73 5.406 -11.353 6.725 1.00 0.00 O ATOM 1108 CB THR T 73 4.483 -14.166 7.576 1.00 0.00 C ATOM 1109 OG1 THR T 73 5.778 -14.738 7.352 1.00 0.00 O ATOM 1110 CG2 THR T 73 3.472 -15.272 7.832 1.00 0.00 C ATOM 0 HA THR T 73 3.015 -13.488 6.148 1.00 0.00 H new ATOM 0 HB THR T 73 4.518 -13.519 8.453 1.00 0.00 H new ATOM 0 HG1 THR T 73 5.991 -14.701 6.396 1.00 0.00 H new ATOM 0 HG21 THR T 73 3.787 -15.861 8.693 1.00 0.00 H new ATOM 0 HG22 THR T 73 2.495 -14.833 8.031 1.00 0.00 H new ATOM 0 HG23 THR T 73 3.408 -15.917 6.956 1.00 0.00 H new ATOM 1118 N GLY T 74 3.178 -11.138 6.960 1.00 0.00 N ATOM 1119 CA GLY T 74 3.261 -9.728 7.293 1.00 0.00 C ATOM 1120 C GLY T 74 3.656 -8.882 6.098 1.00 0.00 C ATOM 1121 O GLY T 74 4.063 -9.410 5.063 1.00 0.00 O ATOM 0 H GLY T 74 2.232 -11.520 6.946 1.00 0.00 H new ATOM 0 HA2 GLY T 74 2.298 -9.389 7.674 1.00 0.00 H new ATOM 0 HA3 GLY T 74 3.988 -9.587 8.093 1.00 0.00 H new ATOM 1125 N ILE T 75 3.532 -7.567 6.243 1.00 0.00 N ATOM 1126 CA ILE T 75 3.874 -6.641 5.173 1.00 0.00 C ATOM 1127 C ILE T 75 5.351 -6.728 4.809 1.00 0.00 C ATOM 1128 O ILE T 75 6.213 -6.248 5.547 1.00 0.00 O ATOM 1129 CB ILE T 75 3.544 -5.194 5.570 1.00 0.00 C ATOM 1130 CG1 ILE T 75 2.142 -5.119 6.174 1.00 0.00 C ATOM 1131 CG2 ILE T 75 3.666 -4.270 4.369 1.00 0.00 C ATOM 1132 CD1 ILE T 75 2.099 -5.386 7.662 1.00 0.00 C ATOM 0 H ILE T 75 3.196 -7.119 7.095 1.00 0.00 H new ATOM 0 HA ILE T 75 3.277 -6.927 4.307 1.00 0.00 H new ATOM 0 HB ILE T 75 4.261 -4.866 6.323 1.00 0.00 H new ATOM 0 HG12 ILE T 75 1.726 -4.130 5.980 1.00 0.00 H new ATOM 0 HG13 ILE T 75 1.500 -5.839 5.667 1.00 0.00 H new ATOM 0 HG21 ILE T 75 3.429 -3.249 4.669 1.00 0.00 H new ATOM 0 HG22 ILE T 75 4.685 -4.307 3.983 1.00 0.00 H new ATOM 0 HG23 ILE T 75 2.972 -4.590 3.592 1.00 0.00 H new ATOM 0 HD11 ILE T 75 1.070 -5.314 8.015 1.00 0.00 H new ATOM 0 HD12 ILE T 75 2.483 -6.386 7.863 1.00 0.00 H new ATOM 0 HD13 ILE T 75 2.713 -4.650 8.182 1.00 0.00 H new ATOM 1144 N ILE T 76 5.637 -7.339 3.665 1.00 0.00 N ATOM 1145 CA ILE T 76 7.011 -7.483 3.198 1.00 0.00 C ATOM 1146 C ILE T 76 7.555 -6.156 2.681 1.00 0.00 C ATOM 1147 O ILE T 76 7.555 -5.900 1.476 1.00 0.00 O ATOM 1148 CB ILE T 76 7.118 -8.538 2.080 1.00 0.00 C ATOM 1149 CG1 ILE T 76 6.203 -9.727 2.378 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.560 -8.994 1.921 1.00 0.00 C ATOM 1151 CD1 ILE T 76 6.432 -10.342 3.742 1.00 0.00 C ATOM 0 H ILE T 76 4.936 -7.743 3.044 1.00 0.00 H new ATOM 0 HA ILE T 76 7.603 -7.810 4.053 1.00 0.00 H new ATOM 0 HB ILE T 76 6.795 -8.087 1.142 1.00 0.00 H new ATOM 0 HG12 ILE T 76 5.165 -9.403 2.305 1.00 0.00 H new ATOM 0 HG13 ILE T 76 6.353 -10.490 1.615 1.00 0.00 H new ATOM 0 HG21 ILE T 76 8.621 -9.739 1.128 1.00 0.00 H new ATOM 0 HG22 ILE T 76 9.186 -8.139 1.664 1.00 0.00 H new ATOM 0 HG23 ILE T 76 8.909 -9.431 2.857 1.00 0.00 H new ATOM 0 HD11 ILE T 76 5.748 -11.179 3.883 1.00 0.00 H new ATOM 0 HD12 ILE T 76 7.460 -10.697 3.813 1.00 0.00 H new ATOM 0 HD13 ILE T 76 6.253 -9.593 4.513 1.00 0.00 H new ATOM 1163 N ASP T 77 8.020 -5.315 3.599 1.00 0.00 N ATOM 1164 CA ASP T 77 8.567 -4.013 3.235 1.00 0.00 C ATOM 1165 C ASP T 77 10.090 -4.022 3.312 1.00 0.00 C ATOM 1166 O ASP T 77 10.667 -4.275 4.368 1.00 0.00 O ATOM 1167 CB ASP T 77 8.007 -2.925 4.153 1.00 0.00 C ATOM 1168 CG ASP T 77 7.940 -1.570 3.476 1.00 0.00 C ATOM 1169 OD1 ASP T 77 8.275 -1.490 2.276 1.00 0.00 O ATOM 1170 OD2 ASP T 77 7.553 -0.591 4.146 1.00 0.00 O ATOM 0 H ASP T 77 8.029 -5.512 4.600 1.00 0.00 H new ATOM 0 HA ASP T 77 8.273 -3.799 2.207 1.00 0.00 H new ATOM 0 HB2 ASP T 77 7.009 -3.212 4.484 1.00 0.00 H new ATOM 0 HB3 ASP T 77 8.629 -2.851 5.045 1.00 0.00 H new ATOM 1175 N TYR T 78 10.734 -3.748 2.182 1.00 0.00 N ATOM 1176 CA TYR T 78 12.187 -3.725 2.114 1.00 0.00 C ATOM 1177 C TYR T 78 12.729 -2.348 2.484 1.00 0.00 C ATOM 1178 O TYR T 78 13.787 -2.232 3.103 1.00 0.00 O ATOM 1179 CB TYR T 78 12.646 -4.108 0.708 1.00 0.00 C ATOM 1180 CG TYR T 78 12.350 -5.546 0.344 1.00 0.00 C ATOM 1181 CD1 TYR T 78 11.042 -6.006 0.261 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.379 -6.443 0.085 1.00 0.00 C ATOM 1183 CE1 TYR T 78 10.768 -7.319 -0.071 1.00 0.00 C ATOM 1184 CE2 TYR T 78 13.113 -7.757 -0.247 1.00 0.00 C ATOM 1185 CZ TYR T 78 11.806 -8.190 -0.324 1.00 0.00 C ATOM 1186 OH TYR T 78 11.536 -9.499 -0.654 1.00 0.00 O ATOM 0 H TYR T 78 10.269 -3.538 1.299 1.00 0.00 H new ATOM 0 HA TYR T 78 12.577 -4.448 2.831 1.00 0.00 H new ATOM 0 HB2 TYR T 78 12.161 -3.452 -0.015 1.00 0.00 H new ATOM 0 HB3 TYR T 78 13.719 -3.935 0.626 1.00 0.00 H new ATOM 0 HD1 TYR T 78 10.226 -5.327 0.459 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.404 -6.107 0.144 1.00 0.00 H new ATOM 0 HE1 TYR T 78 9.745 -7.661 -0.132 1.00 0.00 H new ATOM 0 HE2 TYR T 78 13.924 -8.442 -0.445 1.00 0.00 H new ATOM 0 HH TYR T 78 12.377 -9.979 -0.802 1.00 0.00 H new ATOM 1196 N GLY T 79 11.996 -1.307 2.102 1.00 0.00 N ATOM 1197 CA GLY T 79 12.419 0.048 2.401 1.00 0.00 C ATOM 1198 C GLY T 79 12.374 0.921 1.162 1.00 0.00 C ATOM 1199 O GLY T 79 12.197 0.422 0.050 1.00 0.00 O ATOM 0 H GLY T 79 11.116 -1.378 1.591 1.00 0.00 H new ATOM 0 HA2 GLY T 79 11.775 0.472 3.171 1.00 0.00 H new ATOM 0 HA3 GLY T 79 13.432 0.035 2.804 1.00 0.00 H new ATOM 1203 N ILE T 80 12.534 2.227 1.352 1.00 0.00 N ATOM 1204 CA ILE T 80 12.512 3.168 0.240 1.00 0.00 C ATOM 1205 C ILE T 80 13.632 2.874 -0.750 1.00 0.00 C ATOM 1206 O ILE T 80 14.812 2.990 -0.420 1.00 0.00 O ATOM 1207 CB ILE T 80 12.644 4.623 0.728 1.00 0.00 C ATOM 1208 CG1 ILE T 80 11.679 4.886 1.886 1.00 0.00 C ATOM 1209 CG2 ILE T 80 12.385 5.592 -0.416 1.00 0.00 C ATOM 1210 CD1 ILE T 80 12.205 5.874 2.903 1.00 0.00 C ATOM 0 H ILE T 80 12.680 2.657 2.266 1.00 0.00 H new ATOM 0 HA ILE T 80 11.549 3.046 -0.256 1.00 0.00 H new ATOM 0 HB ILE T 80 13.662 4.779 1.086 1.00 0.00 H new ATOM 0 HG12 ILE T 80 10.737 5.258 1.485 1.00 0.00 H new ATOM 0 HG13 ILE T 80 11.461 3.943 2.387 1.00 0.00 H new ATOM 0 HG21 ILE T 80 12.482 6.616 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE T 80 13.109 5.418 -1.212 1.00 0.00 H new ATOM 0 HG23 ILE T 80 11.378 5.438 -0.803 1.00 0.00 H new ATOM 0 HD11 ILE T 80 11.467 6.010 3.694 1.00 0.00 H new ATOM 0 HD12 ILE T 80 13.132 5.495 3.333 1.00 0.00 H new ATOM 0 HD13 ILE T 80 12.396 6.830 2.416 1.00 0.00 H new ATOM 1222 N ARG T 81 13.255 2.494 -1.967 1.00 0.00 N ATOM 1223 CA ARG T 81 14.228 2.183 -3.007 1.00 0.00 C ATOM 1224 C ARG T 81 14.681 3.452 -3.723 1.00 0.00 C ATOM 1225 O ARG T 81 15.340 3.388 -4.761 1.00 0.00 O ATOM 1226 CB ARG T 81 13.632 1.199 -4.015 1.00 0.00 C ATOM 1227 CG ARG T 81 13.209 -0.123 -3.396 1.00 0.00 C ATOM 1228 CD ARG T 81 14.243 -1.211 -3.644 1.00 0.00 C ATOM 1229 NE ARG T 81 13.622 -2.513 -3.868 1.00 0.00 N ATOM 1230 CZ ARG T 81 13.667 -3.160 -5.029 1.00 0.00 C ATOM 1231 NH1 ARG T 81 14.303 -2.628 -6.064 1.00 0.00 N ATOM 1232 NH2 ARG T 81 13.077 -4.342 -5.155 1.00 0.00 N ATOM 0 H ARG T 81 12.282 2.394 -2.257 1.00 0.00 H new ATOM 0 HA ARG T 81 15.096 1.724 -2.533 1.00 0.00 H new ATOM 0 HB2 ARG T 81 12.768 1.660 -4.493 1.00 0.00 H new ATOM 0 HB3 ARG T 81 14.365 1.006 -4.799 1.00 0.00 H new ATOM 0 HG2 ARG T 81 13.065 0.006 -2.323 1.00 0.00 H new ATOM 0 HG3 ARG T 81 12.249 -0.430 -3.812 1.00 0.00 H new ATOM 0 HD2 ARG T 81 14.849 -0.945 -4.510 1.00 0.00 H new ATOM 0 HD3 ARG T 81 14.917 -1.273 -2.789 1.00 0.00 H new ATOM 0 HE ARG T 81 13.126 -2.951 -3.091 1.00 0.00 H new ATOM 0 HH11 ARG T 81 14.759 -1.720 -5.971 1.00 0.00 H new ATOM 0 HH12 ARG T 81 14.336 -3.126 -6.953 1.00 0.00 H new ATOM 0 HH21 ARG T 81 12.588 -4.755 -4.361 1.00 0.00 H new ATOM 0 HH22 ARG T 81 13.112 -4.837 -6.046 1.00 0.00 H new ATOM 1246 N LEU T 82 14.322 4.602 -3.161 1.00 0.00 N ATOM 1247 CA LEU T 82 14.691 5.887 -3.746 1.00 0.00 C ATOM 1248 C LEU T 82 14.159 6.006 -5.170 1.00 0.00 C ATOM 1249 O LEU T 82 14.880 6.415 -6.081 1.00 0.00 O ATOM 1250 CB LEU T 82 16.212 6.056 -3.740 1.00 0.00 C ATOM 1251 CG LEU T 82 16.722 7.454 -3.377 1.00 0.00 C ATOM 1252 CD1 LEU T 82 16.046 8.511 -4.237 1.00 0.00 C ATOM 1253 CD2 LEU T 82 16.493 7.740 -1.901 1.00 0.00 C ATOM 0 H LEU T 82 13.776 4.671 -2.302 1.00 0.00 H new ATOM 0 HA LEU T 82 14.244 6.677 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.636 5.340 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU T 82 16.592 5.795 -4.728 1.00 0.00 H new ATOM 0 HG LEU T 82 17.794 7.488 -3.571 1.00 0.00 H new ATOM 0 HD11 LEU T 82 16.422 9.497 -3.964 1.00 0.00 H new ATOM 0 HD12 LEU T 82 16.263 8.318 -5.288 1.00 0.00 H new ATOM 0 HD13 LEU T 82 14.968 8.476 -4.077 1.00 0.00 H new ATOM 0 HD21 LEU T 82 16.862 8.738 -1.662 1.00 0.00 H new ATOM 0 HD22 LEU T 82 15.427 7.685 -1.681 1.00 0.00 H new ATOM 0 HD23 LEU T 82 17.026 7.003 -1.301 1.00 0.00 H new ATOM 1265 N ASN T 83 12.893 5.646 -5.357 1.00 0.00 N ATOM 1266 CA ASN T 83 12.266 5.712 -6.672 1.00 0.00 C ATOM 1267 C ASN T 83 10.762 5.935 -6.551 1.00 0.00 C ATOM 1268 O ASN T 83 9.971 5.006 -6.717 1.00 0.00 O ATOM 1269 CB ASN T 83 12.538 4.425 -7.451 1.00 0.00 C ATOM 1270 CG ASN T 83 13.379 4.667 -8.690 1.00 0.00 C ATOM 1271 OD1 ASN T 83 14.395 4.006 -8.903 1.00 0.00 O ATOM 1272 ND2 ASN T 83 12.959 5.620 -9.513 1.00 0.00 N ATOM 0 H ASN T 83 12.282 5.306 -4.615 1.00 0.00 H new ATOM 0 HA ASN T 83 12.697 6.557 -7.209 1.00 0.00 H new ATOM 0 HB2 ASN T 83 13.047 3.712 -6.803 1.00 0.00 H new ATOM 0 HB3 ASN T 83 11.590 3.972 -7.741 1.00 0.00 H new ATOM 0 HD21 ASN T 83 13.485 5.829 -10.362 1.00 0.00 H new ATOM 0 HD22 ASN T 83 12.111 6.143 -9.297 1.00 0.00 H new ATOM 1279 N ARG T 84 10.370 7.174 -6.266 1.00 0.00 N ATOM 1280 CA ARG T 84 8.959 7.515 -6.129 1.00 0.00 C ATOM 1281 C ARG T 84 8.268 7.519 -7.488 1.00 0.00 C ATOM 1282 O ARG T 84 7.108 7.913 -7.605 1.00 0.00 O ATOM 1283 CB ARG T 84 8.802 8.884 -5.463 1.00 0.00 C ATOM 1284 CG ARG T 84 8.752 8.821 -3.945 1.00 0.00 C ATOM 1285 CD ARG T 84 9.852 9.657 -3.311 1.00 0.00 C ATOM 1286 NE ARG T 84 11.148 8.988 -3.359 1.00 0.00 N ATOM 1287 CZ ARG T 84 12.106 9.173 -2.457 1.00 0.00 C ATOM 1288 NH1 ARG T 84 11.912 10.004 -1.440 1.00 0.00 N ATOM 1289 NH2 ARG T 84 13.259 8.529 -2.568 1.00 0.00 N ATOM 0 H ARG T 84 11.009 7.956 -6.126 1.00 0.00 H new ATOM 0 HA ARG T 84 8.489 6.758 -5.501 1.00 0.00 H new ATOM 0 HB2 ARG T 84 9.632 9.523 -5.764 1.00 0.00 H new ATOM 0 HB3 ARG T 84 7.889 9.354 -5.829 1.00 0.00 H new ATOM 0 HG2 ARG T 84 7.781 9.174 -3.598 1.00 0.00 H new ATOM 0 HG3 ARG T 84 8.849 7.785 -3.620 1.00 0.00 H new ATOM 0 HD2 ARG T 84 9.920 10.615 -3.826 1.00 0.00 H new ATOM 0 HD3 ARG T 84 9.593 9.870 -2.274 1.00 0.00 H new ATOM 0 HE ARG T 84 11.329 8.342 -4.128 1.00 0.00 H new ATOM 0 HH11 ARG T 84 11.026 10.502 -1.350 1.00 0.00 H new ATOM 0 HH12 ARG T 84 12.649 10.145 -0.749 1.00 0.00 H new ATOM 0 HH21 ARG T 84 13.413 7.889 -3.347 1.00 0.00 H new ATOM 0 HH22 ARG T 84 13.993 8.673 -1.874 1.00 0.00 H new ATOM 1303 N SER T 85 8.989 7.078 -8.515 1.00 0.00 N ATOM 1304 CA SER T 85 8.445 7.030 -9.868 1.00 0.00 C ATOM 1305 C SER T 85 8.093 5.599 -10.261 1.00 0.00 C ATOM 1306 O SER T 85 7.743 5.330 -11.409 1.00 0.00 O ATOM 1307 CB SER T 85 9.449 7.613 -10.864 1.00 0.00 C ATOM 1308 OG SER T 85 8.860 8.641 -11.639 1.00 0.00 O ATOM 0 H SER T 85 9.951 6.749 -8.436 1.00 0.00 H new ATOM 0 HA SER T 85 7.534 7.628 -9.889 1.00 0.00 H new ATOM 0 HB2 SER T 85 10.312 8.007 -10.327 1.00 0.00 H new ATOM 0 HB3 SER T 85 9.815 6.823 -11.520 1.00 0.00 H new ATOM 0 HG SER T 85 9.523 8.998 -12.266 1.00 0.00 H new ATOM 1314 N GLU T 86 8.188 4.685 -9.301 1.00 0.00 N ATOM 1315 CA GLU T 86 7.880 3.283 -9.546 1.00 0.00 C ATOM 1316 C GLU T 86 6.397 3.101 -9.853 1.00 0.00 C ATOM 1317 O GLU T 86 5.657 4.076 -9.981 1.00 0.00 O ATOM 1318 CB GLU T 86 8.271 2.438 -8.334 1.00 0.00 C ATOM 1319 CG GLU T 86 9.747 2.079 -8.296 1.00 0.00 C ATOM 1320 CD GLU T 86 10.025 0.694 -8.846 1.00 0.00 C ATOM 1321 OE1 GLU T 86 9.561 0.397 -9.967 1.00 0.00 O ATOM 1322 OE2 GLU T 86 10.706 -0.093 -8.156 1.00 0.00 O ATOM 0 H GLU T 86 8.476 4.892 -8.345 1.00 0.00 H new ATOM 0 HA GLU T 86 8.455 2.952 -10.411 1.00 0.00 H new ATOM 0 HB2 GLU T 86 8.014 2.981 -7.424 1.00 0.00 H new ATOM 0 HB3 GLU T 86 7.682 1.521 -8.335 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.311 2.814 -8.871 1.00 0.00 H new ATOM 0 HG3 GLU T 86 10.105 2.136 -7.268 1.00 0.00 H new ATOM 1329 N ARG T 87 5.967 1.848 -9.971 1.00 0.00 N ATOM 1330 CA ARG T 87 4.570 1.552 -10.264 1.00 0.00 C ATOM 1331 C ARG T 87 4.037 0.435 -9.375 1.00 0.00 C ATOM 1332 O ARG T 87 4.450 -0.718 -9.489 1.00 0.00 O ATOM 1333 CB ARG T 87 4.398 1.168 -11.731 1.00 0.00 C ATOM 1334 CG ARG T 87 5.449 0.197 -12.239 1.00 0.00 C ATOM 1335 CD ARG T 87 4.827 -1.101 -12.729 1.00 0.00 C ATOM 1336 NE ARG T 87 5.060 -1.314 -14.155 1.00 0.00 N ATOM 1337 CZ ARG T 87 5.762 -2.331 -14.643 1.00 0.00 C ATOM 1338 NH1 ARG T 87 6.297 -3.225 -13.823 1.00 0.00 N ATOM 1339 NH2 ARG T 87 5.930 -2.454 -15.953 1.00 0.00 N ATOM 0 H ARG T 87 6.563 1.026 -9.869 1.00 0.00 H new ATOM 0 HA ARG T 87 3.996 2.456 -10.059 1.00 0.00 H new ATOM 0 HB2 ARG T 87 3.412 0.725 -11.867 1.00 0.00 H new ATOM 0 HB3 ARG T 87 4.428 2.072 -12.339 1.00 0.00 H new ATOM 0 HG2 ARG T 87 6.010 0.660 -13.050 1.00 0.00 H new ATOM 0 HG3 ARG T 87 6.160 -0.019 -11.442 1.00 0.00 H new ATOM 0 HD2 ARG T 87 5.241 -1.937 -12.165 1.00 0.00 H new ATOM 0 HD3 ARG T 87 3.755 -1.085 -12.535 1.00 0.00 H new ATOM 0 HE ARG T 87 4.661 -0.644 -14.813 1.00 0.00 H new ATOM 0 HH11 ARG T 87 6.170 -3.133 -12.815 1.00 0.00 H new ATOM 0 HH12 ARG T 87 6.836 -4.005 -14.200 1.00 0.00 H new ATOM 0 HH21 ARG T 87 5.520 -1.768 -16.586 1.00 0.00 H new ATOM 0 HH22 ARG T 87 6.469 -3.235 -16.327 1.00 0.00 H new ATOM 1353 N TRP T 88 3.103 0.793 -8.502 1.00 0.00 N ATOM 1354 CA TRP T 88 2.481 -0.159 -7.586 1.00 0.00 C ATOM 1355 C TRP T 88 1.094 0.329 -7.185 1.00 0.00 C ATOM 1356 O TRP T 88 0.555 1.256 -7.789 1.00 0.00 O ATOM 1357 CB TRP T 88 3.332 -0.350 -6.325 1.00 0.00 C ATOM 1358 CG TRP T 88 4.810 -0.303 -6.569 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.643 0.750 -6.333 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.629 -1.358 -7.087 1.00 0.00 C ATOM 1361 NE1 TRP T 88 6.932 0.418 -6.676 1.00 0.00 N ATOM 1362 CE2 TRP T 88 6.949 -0.871 -7.142 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.376 -2.666 -7.512 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 8.010 -1.646 -7.603 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.430 -3.434 -7.970 1.00 0.00 C ATOM 1366 CH2 TRP T 88 7.733 -2.922 -8.012 1.00 0.00 C ATOM 0 H TRP T 88 2.756 1.747 -8.408 1.00 0.00 H new ATOM 0 HA TRP T 88 2.401 -1.115 -8.103 1.00 0.00 H new ATOM 0 HB2 TRP T 88 3.070 0.423 -5.603 1.00 0.00 H new ATOM 0 HB3 TRP T 88 3.080 -1.309 -5.872 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.335 1.706 -5.935 1.00 0.00 H new ATOM 0 HE1 TRP T 88 7.744 1.031 -6.597 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.374 -3.069 -7.483 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 9.016 -1.254 -7.637 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 6.246 -4.445 -8.301 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.536 -3.547 -8.375 1.00 0.00 H new ATOM 1377 N ASP T 89 0.528 -0.289 -6.155 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.786 0.094 -5.667 1.00 0.00 C ATOM 1379 C ASP T 89 -0.675 1.265 -4.698 1.00 0.00 C ATOM 1380 O ASP T 89 0.404 1.831 -4.516 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.458 -1.093 -4.981 1.00 0.00 C ATOM 1382 CG ASP T 89 -1.102 -2.410 -5.641 1.00 0.00 C ATOM 1383 OD1 ASP T 89 0.094 -2.769 -5.646 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -2.021 -3.084 -6.155 1.00 0.00 O ATOM 0 H ASP T 89 0.961 -1.058 -5.643 1.00 0.00 H new ATOM 0 HA ASP T 89 -1.395 0.403 -6.517 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -1.160 -1.121 -3.933 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.539 -0.958 -5.002 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.792 1.625 -4.079 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.809 2.733 -3.133 1.00 0.00 C ATOM 1391 C ALA T 90 -2.751 2.454 -1.966 1.00 0.00 C ATOM 1392 O ALA T 90 -3.955 2.283 -2.156 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.218 4.015 -3.840 1.00 0.00 C ATOM 0 H ALA T 90 -2.694 1.168 -4.214 1.00 0.00 H new ATOM 0 HA ALA T 90 -0.802 2.848 -2.731 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.228 4.838 -3.125 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.506 4.235 -4.636 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.214 3.893 -4.267 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.198 2.419 -0.757 1.00 0.00 N ATOM 1400 CA TYR T 91 -2.991 2.173 0.438 1.00 0.00 C ATOM 1401 C TYR T 91 -3.535 3.484 0.994 1.00 0.00 C ATOM 1402 O TYR T 91 -2.772 4.338 1.448 1.00 0.00 O ATOM 1403 CB TYR T 91 -2.147 1.469 1.499 1.00 0.00 C ATOM 1404 CG TYR T 91 -1.975 -0.015 1.265 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -3.047 -0.891 1.386 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -0.736 -0.539 0.919 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -2.888 -2.246 1.169 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -0.570 -1.892 0.701 1.00 0.00 C ATOM 1409 CZ TYR T 91 -1.649 -2.742 0.827 1.00 0.00 C ATOM 1410 OH TYR T 91 -1.486 -4.091 0.610 1.00 0.00 O ATOM 0 H TYR T 91 -1.203 2.558 -0.581 1.00 0.00 H new ATOM 0 HA TYR T 91 -3.829 1.530 0.169 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -1.163 1.937 1.535 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -2.608 1.621 2.475 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -4.020 -0.506 1.654 1.00 0.00 H new ATOM 0 HD2 TYR T 91 0.111 0.123 0.819 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -3.731 -2.914 1.267 1.00 0.00 H new ATOM 0 HE2 TYR T 91 0.400 -2.283 0.433 1.00 0.00 H new ATOM 0 HH TYR T 91 -0.969 -4.230 -0.211 1.00 0.00 H new ATOM 1420 N CYS T 92 -4.852 3.642 0.954 1.00 0.00 N ATOM 1421 CA CYS T 92 -5.486 4.856 1.453 1.00 0.00 C ATOM 1422 C CYS T 92 -5.920 4.690 2.904 1.00 0.00 C ATOM 1423 O CYS T 92 -6.073 3.571 3.393 1.00 0.00 O ATOM 1424 CB CYS T 92 -6.692 5.223 0.587 1.00 0.00 C ATOM 1425 SG CYS T 92 -7.059 7.006 0.538 1.00 0.00 S ATOM 0 H CYS T 92 -5.500 2.947 0.583 1.00 0.00 H new ATOM 0 HA CYS T 92 -4.753 5.661 1.403 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -6.516 4.871 -0.430 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -7.568 4.693 0.960 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.119 5.812 3.587 1.00 0.00 N ATOM 1431 CA TYR T 93 -6.539 5.794 4.982 1.00 0.00 C ATOM 1432 C TYR T 93 -7.473 6.959 5.284 1.00 0.00 C ATOM 1433 O TYR T 93 -7.209 8.098 4.900 1.00 0.00 O ATOM 1434 CB TYR T 93 -5.323 5.850 5.908 1.00 0.00 C ATOM 1435 CG TYR T 93 -5.675 5.657 7.366 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -6.328 6.654 8.080 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -5.360 4.476 8.024 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -6.657 6.479 9.411 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -5.686 4.292 9.354 1.00 0.00 C ATOM 1440 CZ TYR T 93 -6.334 5.296 10.044 1.00 0.00 C ATOM 1441 OH TYR T 93 -6.661 5.117 11.368 1.00 0.00 O ATOM 0 H TYR T 93 -5.996 6.746 3.196 1.00 0.00 H new ATOM 0 HA TYR T 93 -7.077 4.863 5.158 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -4.610 5.082 5.608 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -4.825 6.812 5.785 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -6.583 7.581 7.587 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -4.852 3.688 7.488 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -7.164 7.264 9.953 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -5.435 3.367 9.851 1.00 0.00 H new ATOM 0 HH TYR T 93 -6.365 4.230 11.661 1.00 0.00 H new ATOM 1451 N ASN T 94 -8.564 6.664 5.979 1.00 0.00 N ATOM 1452 CA ASN T 94 -9.541 7.682 6.343 1.00 0.00 C ATOM 1453 C ASN T 94 -10.275 7.285 7.618 1.00 0.00 C ATOM 1454 O ASN T 94 -10.597 6.115 7.821 1.00 0.00 O ATOM 1455 CB ASN T 94 -10.543 7.889 5.207 1.00 0.00 C ATOM 1456 CG ASN T 94 -10.212 9.095 4.351 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -9.402 9.939 4.734 1.00 0.00 O ATOM 1458 ND2 ASN T 94 -10.842 9.182 3.185 1.00 0.00 N ATOM 0 H ASN T 94 -8.795 5.725 6.303 1.00 0.00 H new ATOM 0 HA ASN T 94 -9.011 8.618 6.520 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -10.565 6.998 4.580 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -11.542 8.009 5.626 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -10.662 9.972 2.566 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -11.506 8.458 2.909 1.00 0.00 H new