USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=20 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 45 HIS : no HE2:sc= -6.57! C(o=-6!,f=-6.8!) USER MOD Set 1.2: T 47 CYS SG : rot -54:sc= 0.61 USER MOD Set 2.1: T 16 TYR OH : rot 180:sc= 0.0169 USER MOD Set 2.2: T 20 LYS NZ :NH3+ -154:sc= 0.00308 (180deg=0) USER MOD Set 3.1: T 4 HIS : no HE2:sc= -15.8! C(o=-16!,f=-29!) USER MOD Set 3.2: T 91 TYR OH : rot 180:sc= -0.236 USER MOD Single : T 3 TYR OH : rot 180:sc= -0.0127 USER MOD Single : T 9 SER OG : rot 180:sc= 0 USER MOD Single : T 11 LYS NZ :NH3+ 145:sc= 0.0331 (180deg=0) USER MOD Single : T 12 TYR OH : rot 180:sc= 0 USER MOD Single : T 13 LYS NZ :NH3+ 138:sc= -0.514 (180deg=-2.84!) USER MOD Single : T 15 THR OG1 : rot 180:sc= -0.016 USER MOD Single : T 29 HIS : no HD1:sc= -2.98! C(o=-3!,f=-6.1!) USER MOD Single : T 32 THR OG1 : rot 180:sc= -0.512 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= -0.463 K(o=-0.46,f=-3.2) USER MOD Single : T 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 52 MET CE :methyl -128:sc= -0.746 (180deg=-3.25!) USER MOD Single : T 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 59 TYR OH : rot 140:sc= 1.08 USER MOD Single : T 73 THR OG1 : rot -11:sc= 0.673 USER MOD Single : T 78 TYR OH : rot 180:sc= 0 USER MOD Single : T 83 ASN : amide:sc= -0.591 K(o=-0.59,f=-4.2!) USER MOD Single : T 85 SER OG : rot 180:sc= 0 USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD Single : T 94 ASN : amide:sc= -1.16 K(o=-1.2,f=-8.4!) USER MOD ----------------------------------------------------------------- ATOM 10 N VAL T 2 -8.906 2.432 6.627 1.00 0.00 N ATOM 11 CA VAL T 2 -7.825 2.130 5.698 1.00 0.00 C ATOM 12 C VAL T 2 -8.227 1.034 4.722 1.00 0.00 C ATOM 13 O VAL T 2 -8.855 0.048 5.106 1.00 0.00 O ATOM 14 CB VAL T 2 -6.551 1.685 6.441 1.00 0.00 C ATOM 15 CG1 VAL T 2 -6.894 0.713 7.558 1.00 0.00 C ATOM 16 CG2 VAL T 2 -5.555 1.065 5.474 1.00 0.00 C ATOM 0 HA VAL T 2 -7.620 3.049 5.149 1.00 0.00 H new ATOM 0 HB VAL T 2 -6.089 2.566 6.886 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -5.981 0.411 8.070 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -7.565 1.197 8.268 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -7.382 -0.166 7.138 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -4.662 0.757 6.019 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -6.006 0.196 4.995 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -5.282 1.797 4.714 1.00 0.00 H new ATOM 26 N TYR T 3 -7.853 1.205 3.458 1.00 0.00 N ATOM 27 CA TYR T 3 -8.175 0.211 2.437 1.00 0.00 C ATOM 28 C TYR T 3 -7.198 0.269 1.268 1.00 0.00 C ATOM 29 O TYR T 3 -6.382 1.185 1.164 1.00 0.00 O ATOM 30 CB TYR T 3 -9.608 0.390 1.931 1.00 0.00 C ATOM 31 CG TYR T 3 -9.928 1.792 1.467 1.00 0.00 C ATOM 32 CD1 TYR T 3 -10.267 2.786 2.375 1.00 0.00 C ATOM 33 CD2 TYR T 3 -9.895 2.119 0.117 1.00 0.00 C ATOM 34 CE1 TYR T 3 -10.566 4.067 1.950 1.00 0.00 C ATOM 35 CE2 TYR T 3 -10.190 3.398 -0.315 1.00 0.00 C ATOM 36 CZ TYR T 3 -10.525 4.367 0.606 1.00 0.00 C ATOM 37 OH TYR T 3 -10.822 5.641 0.180 1.00 0.00 O ATOM 0 H TYR T 3 -7.332 2.013 3.117 1.00 0.00 H new ATOM 0 HA TYR T 3 -8.087 -0.770 2.905 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -9.780 -0.302 1.107 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -10.300 0.116 2.727 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -10.298 2.555 3.430 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -9.634 1.361 -0.607 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -10.830 4.829 2.668 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -10.158 3.637 -1.368 1.00 0.00 H new ATOM 0 HH TYR T 3 -10.746 5.686 -0.796 1.00 0.00 H new ATOM 47 N HIS T 4 -7.294 -0.727 0.392 1.00 0.00 N ATOM 48 CA HIS T 4 -6.425 -0.816 -0.778 1.00 0.00 C ATOM 49 C HIS T 4 -7.052 -0.114 -1.978 1.00 0.00 C ATOM 50 O HIS T 4 -8.272 0.006 -2.072 1.00 0.00 O ATOM 51 CB HIS T 4 -6.146 -2.283 -1.117 1.00 0.00 C ATOM 52 CG HIS T 4 -4.956 -2.486 -2.006 1.00 0.00 C ATOM 53 ND1 HIS T 4 -3.862 -3.239 -1.640 1.00 0.00 N ATOM 54 CD2 HIS T 4 -4.696 -2.039 -3.255 1.00 0.00 C ATOM 55 CE1 HIS T 4 -2.980 -3.243 -2.624 1.00 0.00 C ATOM 56 NE2 HIS T 4 -3.464 -2.523 -3.617 1.00 0.00 N ATOM 0 H HIS T 4 -7.969 -1.488 0.471 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.485 -0.318 -0.542 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -5.994 -2.837 -0.191 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -7.025 -2.707 -1.601 1.00 0.00 H new ATOM 0 HD1 HIS T 4 -3.750 -3.719 -0.747 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -5.340 -1.415 -3.857 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -2.026 -3.749 -2.616 1.00 0.00 H new ATOM 65 N ARG T 5 -6.204 0.347 -2.891 1.00 0.00 N ATOM 66 CA ARG T 5 -6.669 1.039 -4.087 1.00 0.00 C ATOM 67 C ARG T 5 -5.642 0.938 -5.212 1.00 0.00 C ATOM 68 O ARG T 5 -4.438 0.887 -4.961 1.00 0.00 O ATOM 69 CB ARG T 5 -6.949 2.508 -3.769 1.00 0.00 C ATOM 70 CG ARG T 5 -8.400 2.797 -3.429 1.00 0.00 C ATOM 71 CD ARG T 5 -9.188 3.219 -4.657 1.00 0.00 C ATOM 72 NE ARG T 5 -10.223 4.198 -4.337 1.00 0.00 N ATOM 73 CZ ARG T 5 -11.525 3.958 -4.454 1.00 0.00 C ATOM 74 NH1 ARG T 5 -11.948 2.778 -4.885 1.00 0.00 N ATOM 75 NH2 ARG T 5 -12.406 4.899 -4.141 1.00 0.00 N ATOM 0 H ARG T 5 -5.190 0.254 -2.825 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.590 0.560 -4.419 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -6.322 2.815 -2.932 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -6.658 3.117 -4.625 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -8.856 1.909 -2.991 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -8.448 3.584 -2.677 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -8.507 3.641 -5.397 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -9.648 2.341 -5.111 1.00 0.00 H new ATOM 0 HE ARG T 5 -9.931 5.117 -4.005 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -11.274 2.052 -5.128 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -12.948 2.596 -4.974 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -12.085 5.809 -3.810 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -13.405 4.713 -4.231 1.00 0.00 H new ATOM 89 N GLU T 6 -6.126 0.913 -6.450 1.00 0.00 N ATOM 90 CA GLU T 6 -5.247 0.824 -7.612 1.00 0.00 C ATOM 91 C GLU T 6 -5.318 2.096 -8.447 1.00 0.00 C ATOM 92 O GLU T 6 -5.880 3.103 -8.018 1.00 0.00 O ATOM 93 CB GLU T 6 -5.616 -0.385 -8.475 1.00 0.00 C ATOM 94 CG GLU T 6 -6.901 -0.200 -9.266 1.00 0.00 C ATOM 95 CD GLU T 6 -8.118 -0.061 -8.374 1.00 0.00 C ATOM 96 OE1 GLU T 6 -8.338 -0.950 -7.526 1.00 0.00 O ATOM 97 OE2 GLU T 6 -8.853 0.939 -8.524 1.00 0.00 O ATOM 0 H GLU T 6 -7.120 0.953 -6.675 1.00 0.00 H new ATOM 0 HA GLU T 6 -4.226 0.702 -7.250 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -4.799 -0.589 -9.168 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -5.717 -1.261 -7.834 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -6.812 0.686 -9.894 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -7.039 -1.051 -9.933 1.00 0.00 H new ATOM 104 N ALA T 7 -4.742 2.040 -9.642 1.00 0.00 N ATOM 105 CA ALA T 7 -4.735 3.187 -10.542 1.00 0.00 C ATOM 106 C ALA T 7 -5.822 3.062 -11.603 1.00 0.00 C ATOM 107 O ALA T 7 -6.236 1.957 -11.956 1.00 0.00 O ATOM 108 CB ALA T 7 -3.371 3.334 -11.198 1.00 0.00 C ATOM 0 H ALA T 7 -4.274 1.212 -10.010 1.00 0.00 H new ATOM 0 HA ALA T 7 -4.942 4.080 -9.952 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -3.380 4.194 -11.867 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.612 3.480 -10.430 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -3.142 2.433 -11.768 1.00 0.00 H new ATOM 114 N ARG T 8 -6.281 4.202 -12.111 1.00 0.00 N ATOM 115 CA ARG T 8 -7.320 4.221 -13.135 1.00 0.00 C ATOM 116 C ARG T 8 -6.853 3.496 -14.394 1.00 0.00 C ATOM 117 O ARG T 8 -7.666 3.091 -15.225 1.00 0.00 O ATOM 118 CB ARG T 8 -7.704 5.662 -13.476 1.00 0.00 C ATOM 119 CG ARG T 8 -8.249 6.447 -12.293 1.00 0.00 C ATOM 120 CD ARG T 8 -9.737 6.722 -12.439 1.00 0.00 C ATOM 121 NE ARG T 8 -10.089 8.066 -11.991 1.00 0.00 N ATOM 122 CZ ARG T 8 -10.786 8.929 -12.725 1.00 0.00 C ATOM 123 NH1 ARG T 8 -11.203 8.587 -13.937 1.00 0.00 N ATOM 124 NH2 ARG T 8 -11.066 10.134 -12.248 1.00 0.00 N ATOM 0 H ARG T 8 -5.950 5.125 -11.830 1.00 0.00 H new ATOM 0 HA ARG T 8 -8.195 3.704 -12.741 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -6.829 6.178 -13.871 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -8.452 5.651 -14.269 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -8.070 5.890 -11.373 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -7.711 7.391 -12.204 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -10.028 6.599 -13.482 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -10.300 5.988 -11.862 1.00 0.00 H new ATOM 0 HE ARG T 8 -9.783 8.360 -11.063 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -10.989 7.661 -14.307 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -11.737 9.250 -14.498 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -10.747 10.401 -11.317 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -11.601 10.794 -12.812 1.00 0.00 H new ATOM 138 N SER T 9 -5.541 3.339 -14.525 1.00 0.00 N ATOM 139 CA SER T 9 -4.963 2.664 -15.682 1.00 0.00 C ATOM 140 C SER T 9 -4.726 1.186 -15.388 1.00 0.00 C ATOM 141 O SER T 9 -4.681 0.361 -16.300 1.00 0.00 O ATOM 142 CB SER T 9 -3.648 3.333 -16.085 1.00 0.00 C ATOM 143 OG SER T 9 -3.868 4.358 -17.040 1.00 0.00 O ATOM 0 H SER T 9 -4.857 3.670 -13.845 1.00 0.00 H new ATOM 0 HA SER T 9 -5.670 2.743 -16.508 1.00 0.00 H new ATOM 0 HB2 SER T 9 -3.164 3.752 -15.203 1.00 0.00 H new ATOM 0 HB3 SER T 9 -2.968 2.587 -16.497 1.00 0.00 H new ATOM 0 HG SER T 9 -3.012 4.771 -17.280 1.00 0.00 H new ATOM 149 N GLY T 10 -4.576 0.859 -14.108 1.00 0.00 N ATOM 150 CA GLY T 10 -4.346 -0.520 -13.718 1.00 0.00 C ATOM 151 C GLY T 10 -3.394 -0.637 -12.545 1.00 0.00 C ATOM 152 O GLY T 10 -2.729 0.331 -12.175 1.00 0.00 O ATOM 0 H GLY T 10 -4.610 1.524 -13.335 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -5.297 -0.985 -13.458 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -3.942 -1.072 -14.567 1.00 0.00 H new ATOM 156 N LYS T 11 -3.329 -1.829 -11.960 1.00 0.00 N ATOM 157 CA LYS T 11 -2.453 -2.079 -10.821 1.00 0.00 C ATOM 158 C LYS T 11 -0.993 -1.828 -11.184 1.00 0.00 C ATOM 159 O LYS T 11 -0.623 -1.847 -12.359 1.00 0.00 O ATOM 160 CB LYS T 11 -2.626 -3.516 -10.328 1.00 0.00 C ATOM 161 CG LYS T 11 -1.881 -3.807 -9.037 1.00 0.00 C ATOM 162 CD LYS T 11 -2.297 -5.143 -8.443 1.00 0.00 C ATOM 163 CE LYS T 11 -1.139 -6.127 -8.414 1.00 0.00 C ATOM 164 NZ LYS T 11 -1.611 -7.538 -8.391 1.00 0.00 N ATOM 0 H LYS T 11 -3.874 -2.638 -12.257 1.00 0.00 H new ATOM 0 HA LYS T 11 -2.731 -1.389 -10.025 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -3.687 -3.715 -10.179 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -2.279 -4.201 -11.101 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -0.808 -3.811 -9.228 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -2.074 -3.012 -8.317 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -2.672 -4.991 -7.431 1.00 0.00 H new ATOM 0 HD3 LYS T 11 -3.117 -5.562 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS T 11 -0.507 -5.970 -9.288 1.00 0.00 H new ATOM 0 HE3 LYS T 11 -0.522 -5.936 -7.536 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 -0.955 -8.133 -8.936 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -1.649 -7.875 -7.408 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 -2.560 -7.594 -8.813 1.00 0.00 H new ATOM 178 N TYR T 12 -0.169 -1.596 -10.167 1.00 0.00 N ATOM 179 CA TYR T 12 1.253 -1.343 -10.373 1.00 0.00 C ATOM 180 C TYR T 12 1.470 -0.212 -11.370 1.00 0.00 C ATOM 181 O TYR T 12 2.068 -0.407 -12.429 1.00 0.00 O ATOM 182 CB TYR T 12 1.953 -2.613 -10.859 1.00 0.00 C ATOM 183 CG TYR T 12 2.208 -3.623 -9.761 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.648 -3.463 -8.499 1.00 0.00 C ATOM 185 CD2 TYR T 12 3.007 -4.736 -9.987 1.00 0.00 C ATOM 186 CE1 TYR T 12 1.879 -4.382 -7.494 1.00 0.00 C ATOM 187 CE2 TYR T 12 3.243 -5.661 -8.988 1.00 0.00 C ATOM 188 CZ TYR T 12 2.676 -5.479 -7.744 1.00 0.00 C ATOM 189 OH TYR T 12 2.909 -6.397 -6.746 1.00 0.00 O ATOM 0 H TYR T 12 -0.462 -1.578 -9.190 1.00 0.00 H new ATOM 0 HA TYR T 12 1.683 -1.043 -9.418 1.00 0.00 H new ATOM 0 HB2 TYR T 12 1.345 -3.078 -11.635 1.00 0.00 H new ATOM 0 HB3 TYR T 12 2.903 -2.341 -11.319 1.00 0.00 H new ATOM 0 HD1 TYR T 12 1.022 -2.606 -8.301 1.00 0.00 H new ATOM 0 HD2 TYR T 12 3.452 -4.881 -10.960 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.438 -4.242 -6.518 1.00 0.00 H new ATOM 0 HE2 TYR T 12 3.867 -6.521 -9.180 1.00 0.00 H new ATOM 0 HH TYR T 12 3.489 -7.110 -7.086 1.00 0.00 H new ATOM 199 N LYS T 13 0.981 0.972 -11.023 1.00 0.00 N ATOM 200 CA LYS T 13 1.120 2.142 -11.881 1.00 0.00 C ATOM 201 C LYS T 13 1.023 3.424 -11.063 1.00 0.00 C ATOM 202 O LYS T 13 1.064 4.527 -11.609 1.00 0.00 O ATOM 203 CB LYS T 13 0.041 2.134 -12.966 1.00 0.00 C ATOM 204 CG LYS T 13 0.379 1.250 -14.155 1.00 0.00 C ATOM 205 CD LYS T 13 -0.371 1.683 -15.405 1.00 0.00 C ATOM 206 CE LYS T 13 -0.756 0.491 -16.265 1.00 0.00 C ATOM 207 NZ LYS T 13 -1.453 0.906 -17.514 1.00 0.00 N ATOM 0 H LYS T 13 0.483 1.148 -10.150 1.00 0.00 H new ATOM 0 HA LYS T 13 2.101 2.104 -12.354 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -0.899 1.797 -12.529 1.00 0.00 H new ATOM 0 HB3 LYS T 13 -0.118 3.154 -13.316 1.00 0.00 H new ATOM 0 HG2 LYS T 13 1.452 1.286 -14.343 1.00 0.00 H new ATOM 0 HG3 LYS T 13 0.131 0.215 -13.922 1.00 0.00 H new ATOM 0 HD2 LYS T 13 -1.268 2.232 -15.120 1.00 0.00 H new ATOM 0 HD3 LYS T 13 0.250 2.366 -15.985 1.00 0.00 H new ATOM 0 HE2 LYS T 13 0.139 -0.076 -16.521 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -1.402 -0.175 -15.693 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -1.100 0.341 -18.313 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 -2.476 0.753 -17.408 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 -1.270 1.914 -17.695 1.00 0.00 H new ATOM 221 N LEU T 14 0.890 3.270 -9.749 1.00 0.00 N ATOM 222 CA LEU T 14 0.783 4.415 -8.852 1.00 0.00 C ATOM 223 C LEU T 14 2.079 4.634 -8.082 1.00 0.00 C ATOM 224 O LEU T 14 2.597 3.718 -7.443 1.00 0.00 O ATOM 225 CB LEU T 14 -0.369 4.206 -7.871 1.00 0.00 C ATOM 226 CG LEU T 14 -1.738 4.685 -8.358 1.00 0.00 C ATOM 227 CD1 LEU T 14 -2.846 3.917 -7.657 1.00 0.00 C ATOM 228 CD2 LEU T 14 -1.891 6.180 -8.131 1.00 0.00 C ATOM 0 H LEU T 14 0.854 2.364 -9.282 1.00 0.00 H new ATOM 0 HA LEU T 14 0.590 5.300 -9.458 1.00 0.00 H new ATOM 0 HB2 LEU T 14 -0.436 3.144 -7.637 1.00 0.00 H new ATOM 0 HB3 LEU T 14 -0.131 4.723 -6.941 1.00 0.00 H new ATOM 0 HG LEU T 14 -1.813 4.495 -9.429 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -3.814 4.269 -8.014 1.00 0.00 H new ATOM 0 HD12 LEU T 14 -2.744 2.853 -7.873 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -2.775 4.077 -6.581 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -2.871 6.503 -8.483 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -1.798 6.398 -7.067 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -1.114 6.713 -8.680 1.00 0.00 H new ATOM 240 N THR T 15 2.589 5.858 -8.139 1.00 0.00 N ATOM 241 CA THR T 15 3.816 6.208 -7.439 1.00 0.00 C ATOM 242 C THR T 15 3.495 6.921 -6.133 1.00 0.00 C ATOM 243 O THR T 15 2.474 7.598 -6.027 1.00 0.00 O ATOM 244 CB THR T 15 4.720 7.112 -8.299 1.00 0.00 C ATOM 245 OG1 THR T 15 4.408 8.488 -8.058 1.00 0.00 O ATOM 246 CG2 THR T 15 4.547 6.800 -9.778 1.00 0.00 C ATOM 0 H THR T 15 2.170 6.625 -8.664 1.00 0.00 H new ATOM 0 HA THR T 15 4.349 5.280 -7.233 1.00 0.00 H new ATOM 0 HB THR T 15 5.757 6.921 -8.022 1.00 0.00 H new ATOM 0 HG1 THR T 15 4.988 9.056 -8.607 1.00 0.00 H new ATOM 0 HG21 THR T 15 5.195 7.451 -10.365 1.00 0.00 H new ATOM 0 HG22 THR T 15 4.813 5.759 -9.964 1.00 0.00 H new ATOM 0 HG23 THR T 15 3.509 6.966 -10.066 1.00 0.00 H new ATOM 254 N TYR T 16 4.360 6.763 -5.139 1.00 0.00 N ATOM 255 CA TYR T 16 4.148 7.394 -3.841 1.00 0.00 C ATOM 256 C TYR T 16 3.513 8.771 -4.000 1.00 0.00 C ATOM 257 O TYR T 16 2.625 9.149 -3.235 1.00 0.00 O ATOM 258 CB TYR T 16 5.469 7.521 -3.084 1.00 0.00 C ATOM 259 CG TYR T 16 5.334 8.242 -1.764 1.00 0.00 C ATOM 260 CD1 TYR T 16 4.803 7.602 -0.651 1.00 0.00 C ATOM 261 CD2 TYR T 16 5.736 9.566 -1.632 1.00 0.00 C ATOM 262 CE1 TYR T 16 4.677 8.260 0.558 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.613 10.230 -0.426 1.00 0.00 C ATOM 264 CZ TYR T 16 5.083 9.574 0.665 1.00 0.00 C ATOM 265 OH TYR T 16 4.959 10.233 1.866 1.00 0.00 O ATOM 0 H TYR T 16 5.212 6.206 -5.205 1.00 0.00 H new ATOM 0 HA TYR T 16 3.469 6.760 -3.270 1.00 0.00 H new ATOM 0 HB2 TYR T 16 5.875 6.525 -2.906 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.188 8.052 -3.708 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.483 6.574 -0.732 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.151 10.084 -2.484 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.263 7.748 1.414 1.00 0.00 H new ATOM 0 HE2 TYR T 16 5.931 11.258 -0.338 1.00 0.00 H new ATOM 0 HH TYR T 16 5.292 11.150 1.772 1.00 0.00 H new ATOM 275 N ALA T 17 3.977 9.518 -4.995 1.00 0.00 N ATOM 276 CA ALA T 17 3.459 10.855 -5.252 1.00 0.00 C ATOM 277 C ALA T 17 2.039 10.804 -5.808 1.00 0.00 C ATOM 278 O ALA T 17 1.176 11.580 -5.395 1.00 0.00 O ATOM 279 CB ALA T 17 4.381 11.599 -6.205 1.00 0.00 C ATOM 0 H ALA T 17 4.711 9.220 -5.637 1.00 0.00 H new ATOM 0 HA ALA T 17 3.423 11.392 -4.304 1.00 0.00 H new ATOM 0 HB1 ALA T 17 3.984 12.597 -6.390 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.374 11.680 -5.762 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.447 11.054 -7.147 1.00 0.00 H new ATOM 285 N GLU T 18 1.795 9.884 -6.739 1.00 0.00 N ATOM 286 CA GLU T 18 0.476 9.737 -7.335 1.00 0.00 C ATOM 287 C GLU T 18 -0.478 9.075 -6.350 1.00 0.00 C ATOM 288 O GLU T 18 -1.552 9.602 -6.055 1.00 0.00 O ATOM 289 CB GLU T 18 0.571 8.906 -8.613 1.00 0.00 C ATOM 290 CG GLU T 18 1.550 9.468 -9.630 1.00 0.00 C ATOM 291 CD GLU T 18 1.766 8.537 -10.809 1.00 0.00 C ATOM 292 OE1 GLU T 18 1.444 7.337 -10.685 1.00 0.00 O ATOM 293 OE2 GLU T 18 2.257 9.009 -11.855 1.00 0.00 O ATOM 0 H GLU T 18 2.494 9.232 -7.094 1.00 0.00 H new ATOM 0 HA GLU T 18 0.090 10.726 -7.583 1.00 0.00 H new ATOM 0 HB2 GLU T 18 0.871 7.890 -8.355 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.417 8.841 -9.069 1.00 0.00 H new ATOM 0 HG2 GLU T 18 1.181 10.427 -9.992 1.00 0.00 H new ATOM 0 HG3 GLU T 18 2.506 9.658 -9.142 1.00 0.00 H new ATOM 300 N ALA T 19 -0.069 7.919 -5.843 1.00 0.00 N ATOM 301 CA ALA T 19 -0.867 7.172 -4.883 1.00 0.00 C ATOM 302 C ALA T 19 -1.429 8.093 -3.806 1.00 0.00 C ATOM 303 O ALA T 19 -2.632 8.093 -3.537 1.00 0.00 O ATOM 304 CB ALA T 19 -0.021 6.076 -4.254 1.00 0.00 C ATOM 0 H ALA T 19 0.818 7.477 -6.084 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.708 6.719 -5.408 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.623 5.519 -3.536 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.335 5.400 -5.031 1.00 0.00 H new ATOM 0 HB3 ALA T 19 0.832 6.523 -3.744 1.00 0.00 H new ATOM 310 N LYS T 20 -0.551 8.882 -3.197 1.00 0.00 N ATOM 311 CA LYS T 20 -0.955 9.814 -2.154 1.00 0.00 C ATOM 312 C LYS T 20 -1.896 10.871 -2.714 1.00 0.00 C ATOM 313 O LYS T 20 -3.007 11.053 -2.218 1.00 0.00 O ATOM 314 CB LYS T 20 0.273 10.485 -1.539 1.00 0.00 C ATOM 315 CG LYS T 20 0.001 11.138 -0.193 1.00 0.00 C ATOM 316 CD LYS T 20 1.227 11.864 0.333 1.00 0.00 C ATOM 317 CE LYS T 20 1.081 12.210 1.806 1.00 0.00 C ATOM 318 NZ LYS T 20 2.346 11.987 2.559 1.00 0.00 N ATOM 0 H LYS T 20 0.447 8.894 -3.409 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.480 9.254 -1.380 1.00 0.00 H new ATOM 0 HB2 LYS T 20 1.061 9.742 -1.420 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.648 11.240 -2.230 1.00 0.00 H new ATOM 0 HG2 LYS T 20 -0.826 11.842 -0.290 1.00 0.00 H new ATOM 0 HG3 LYS T 20 -0.309 10.378 0.525 1.00 0.00 H new ATOM 0 HD2 LYS T 20 2.109 11.240 0.191 1.00 0.00 H new ATOM 0 HD3 LYS T 20 1.385 12.776 -0.242 1.00 0.00 H new ATOM 0 HE2 LYS T 20 0.779 13.253 1.905 1.00 0.00 H new ATOM 0 HE3 LYS T 20 0.287 11.605 2.244 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 2.127 11.800 3.558 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 2.850 11.171 2.157 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 2.946 12.834 2.488 1.00 0.00 H new ATOM 332 N ALA T 21 -1.442 11.566 -3.750 1.00 0.00 N ATOM 333 CA ALA T 21 -2.243 12.609 -4.382 1.00 0.00 C ATOM 334 C ALA T 21 -3.699 12.180 -4.517 1.00 0.00 C ATOM 335 O ALA T 21 -4.611 12.981 -4.326 1.00 0.00 O ATOM 336 CB ALA T 21 -1.669 12.966 -5.746 1.00 0.00 C ATOM 0 H ALA T 21 -0.523 11.427 -4.171 1.00 0.00 H new ATOM 0 HA ALA T 21 -2.209 13.492 -3.743 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -2.278 13.745 -6.204 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -0.647 13.326 -5.628 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -1.670 12.082 -6.384 1.00 0.00 H new ATOM 342 N VAL T 22 -3.907 10.909 -4.845 1.00 0.00 N ATOM 343 CA VAL T 22 -5.254 10.370 -5.005 1.00 0.00 C ATOM 344 C VAL T 22 -5.986 10.312 -3.672 1.00 0.00 C ATOM 345 O VAL T 22 -7.105 10.808 -3.543 1.00 0.00 O ATOM 346 CB VAL T 22 -5.224 8.960 -5.628 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.485 8.188 -5.271 1.00 0.00 C ATOM 348 CG2 VAL T 22 -5.052 9.047 -7.137 1.00 0.00 C ATOM 0 H VAL T 22 -3.161 10.233 -5.005 1.00 0.00 H new ATOM 0 HA VAL T 22 -5.787 11.044 -5.676 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.370 8.421 -5.218 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.444 7.196 -5.720 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.559 8.093 -4.188 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.357 8.721 -5.649 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -5.033 8.042 -7.560 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -5.884 9.606 -7.566 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.116 9.555 -7.368 1.00 0.00 H new ATOM 358 N CYS T 23 -5.347 9.708 -2.680 1.00 0.00 N ATOM 359 CA CYS T 23 -5.935 9.592 -1.355 1.00 0.00 C ATOM 360 C CYS T 23 -6.119 10.970 -0.731 1.00 0.00 C ATOM 361 O CYS T 23 -7.205 11.312 -0.262 1.00 0.00 O ATOM 362 CB CYS T 23 -5.051 8.721 -0.463 1.00 0.00 C ATOM 363 SG CYS T 23 -5.063 6.955 -0.910 1.00 0.00 S ATOM 0 H CYS T 23 -4.421 9.291 -2.769 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.914 9.122 -1.448 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -4.027 9.091 -0.511 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -5.380 8.826 0.571 1.00 0.00 H new ATOM 368 N GLU T 24 -5.053 11.762 -0.744 1.00 0.00 N ATOM 369 CA GLU T 24 -5.095 13.112 -0.192 1.00 0.00 C ATOM 370 C GLU T 24 -6.008 14.001 -1.029 1.00 0.00 C ATOM 371 O GLU T 24 -6.429 15.070 -0.587 1.00 0.00 O ATOM 372 CB GLU T 24 -3.686 13.707 -0.138 1.00 0.00 C ATOM 373 CG GLU T 24 -3.626 15.077 0.518 1.00 0.00 C ATOM 374 CD GLU T 24 -2.206 15.548 0.760 1.00 0.00 C ATOM 375 OE1 GLU T 24 -1.554 15.021 1.685 1.00 0.00 O ATOM 376 OE2 GLU T 24 -1.743 16.444 0.021 1.00 0.00 O ATOM 0 H GLU T 24 -4.148 11.493 -1.131 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.493 13.059 0.821 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -3.034 13.024 0.406 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -3.294 13.782 -1.152 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -4.142 15.800 -0.113 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -4.160 15.044 1.467 1.00 0.00 H new ATOM 383 N PHE T 25 -6.312 13.543 -2.240 1.00 0.00 N ATOM 384 CA PHE T 25 -7.178 14.287 -3.148 1.00 0.00 C ATOM 385 C PHE T 25 -8.521 14.583 -2.492 1.00 0.00 C ATOM 386 O PHE T 25 -9.009 15.712 -2.529 1.00 0.00 O ATOM 387 CB PHE T 25 -7.395 13.493 -4.437 1.00 0.00 C ATOM 388 CG PHE T 25 -7.270 14.320 -5.684 1.00 0.00 C ATOM 389 CD1 PHE T 25 -6.029 14.756 -6.120 1.00 0.00 C ATOM 390 CD2 PHE T 25 -8.393 14.657 -6.422 1.00 0.00 C ATOM 391 CE1 PHE T 25 -5.910 15.513 -7.269 1.00 0.00 C ATOM 392 CE2 PHE T 25 -8.281 15.414 -7.572 1.00 0.00 C ATOM 393 CZ PHE T 25 -7.037 15.843 -7.996 1.00 0.00 C ATOM 0 H PHE T 25 -5.970 12.658 -2.615 1.00 0.00 H new ATOM 0 HA PHE T 25 -6.691 15.233 -3.386 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -6.672 12.679 -4.478 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -8.385 13.039 -4.411 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -5.145 14.501 -5.555 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -9.367 14.324 -6.095 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -4.937 15.846 -7.599 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -9.164 15.670 -8.139 1.00 0.00 H new ATOM 0 HZ PHE T 25 -6.947 16.435 -8.895 1.00 0.00 H new ATOM 403 N GLU T 26 -9.114 13.557 -1.895 1.00 0.00 N ATOM 404 CA GLU T 26 -10.403 13.697 -1.231 1.00 0.00 C ATOM 405 C GLU T 26 -10.246 13.678 0.284 1.00 0.00 C ATOM 406 O GLU T 26 -10.893 12.894 0.980 1.00 0.00 O ATOM 407 CB GLU T 26 -11.345 12.581 -1.680 1.00 0.00 C ATOM 408 CG GLU T 26 -11.389 12.406 -3.187 1.00 0.00 C ATOM 409 CD GLU T 26 -12.399 11.362 -3.625 1.00 0.00 C ATOM 410 OE1 GLU T 26 -12.353 10.234 -3.093 1.00 0.00 O ATOM 411 OE2 GLU T 26 -13.234 11.675 -4.499 1.00 0.00 O ATOM 0 H GLU T 26 -8.721 12.616 -1.857 1.00 0.00 H new ATOM 0 HA GLU T 26 -10.829 14.660 -1.512 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -11.032 11.643 -1.221 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.350 12.794 -1.316 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -11.634 13.361 -3.653 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.400 12.121 -3.545 1.00 0.00 H new ATOM 418 N GLY T 27 -9.385 14.555 0.786 1.00 0.00 N ATOM 419 CA GLY T 27 -9.152 14.643 2.215 1.00 0.00 C ATOM 420 C GLY T 27 -8.854 13.292 2.837 1.00 0.00 C ATOM 421 O GLY T 27 -9.342 12.981 3.923 1.00 0.00 O ATOM 0 H GLY T 27 -8.841 15.210 0.225 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -8.318 15.319 2.403 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -10.028 15.077 2.697 1.00 0.00 H new ATOM 425 N GLY T 28 -8.046 12.490 2.151 1.00 0.00 N ATOM 426 CA GLY T 28 -7.692 11.179 2.663 1.00 0.00 C ATOM 427 C GLY T 28 -6.193 11.030 2.813 1.00 0.00 C ATOM 428 O GLY T 28 -5.429 11.862 2.325 1.00 0.00 O ATOM 0 H GLY T 28 -7.630 12.725 1.250 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -8.173 11.022 3.628 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -8.070 10.410 1.990 1.00 0.00 H new ATOM 432 N HIS T 29 -5.766 9.973 3.494 1.00 0.00 N ATOM 433 CA HIS T 29 -4.352 9.731 3.705 1.00 0.00 C ATOM 434 C HIS T 29 -3.988 8.311 3.311 1.00 0.00 C ATOM 435 O HIS T 29 -4.712 7.367 3.621 1.00 0.00 O ATOM 436 CB HIS T 29 -3.995 9.967 5.168 1.00 0.00 C ATOM 437 CG HIS T 29 -5.185 10.172 6.052 1.00 0.00 C ATOM 438 ND1 HIS T 29 -6.233 11.008 5.728 1.00 0.00 N ATOM 439 CD2 HIS T 29 -5.490 9.643 7.259 1.00 0.00 C ATOM 440 CE1 HIS T 29 -7.130 10.984 6.697 1.00 0.00 C ATOM 441 NE2 HIS T 29 -6.703 10.163 7.638 1.00 0.00 N ATOM 0 H HIS T 29 -6.382 9.273 3.908 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.787 10.423 3.080 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -3.423 9.115 5.535 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -3.346 10.840 5.238 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -4.891 8.942 7.820 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -8.055 11.541 6.716 1.00 0.00 H new ATOM 0 HE2 HIS T 29 -7.194 9.949 8.506 1.00 0.00 H new ATOM 450 N LEU T 30 -2.860 8.159 2.632 1.00 0.00 N ATOM 451 CA LEU T 30 -2.417 6.840 2.214 1.00 0.00 C ATOM 452 C LEU T 30 -1.891 6.065 3.412 1.00 0.00 C ATOM 453 O LEU T 30 -0.978 6.511 4.108 1.00 0.00 O ATOM 454 CB LEU T 30 -1.365 6.935 1.109 1.00 0.00 C ATOM 455 CG LEU T 30 0.035 6.439 1.476 1.00 0.00 C ATOM 456 CD1 LEU T 30 0.236 5.016 0.978 1.00 0.00 C ATOM 457 CD2 LEU T 30 1.099 7.364 0.897 1.00 0.00 C ATOM 0 H LEU T 30 -2.242 8.924 2.362 1.00 0.00 H new ATOM 0 HA LEU T 30 -3.270 6.301 1.801 1.00 0.00 H new ATOM 0 HB2 LEU T 30 -1.717 6.366 0.249 1.00 0.00 H new ATOM 0 HB3 LEU T 30 -1.290 7.976 0.794 1.00 0.00 H new ATOM 0 HG LEU T 30 0.132 6.444 2.562 1.00 0.00 H new ATOM 0 HD11 LEU T 30 1.236 4.675 1.245 1.00 0.00 H new ATOM 0 HD12 LEU T 30 -0.505 4.362 1.437 1.00 0.00 H new ATOM 0 HD13 LEU T 30 0.122 4.990 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU T 30 2.088 6.995 1.168 1.00 0.00 H new ATOM 0 HD22 LEU T 30 1.007 7.390 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU T 30 0.964 8.369 1.297 1.00 0.00 H new ATOM 469 N ALA T 31 -2.498 4.914 3.656 1.00 0.00 N ATOM 470 CA ALA T 31 -2.125 4.074 4.785 1.00 0.00 C ATOM 471 C ALA T 31 -0.618 3.849 4.838 1.00 0.00 C ATOM 472 O ALA T 31 0.080 3.998 3.836 1.00 0.00 O ATOM 473 CB ALA T 31 -2.862 2.746 4.721 1.00 0.00 C ATOM 0 H ALA T 31 -3.255 4.538 3.085 1.00 0.00 H new ATOM 0 HA ALA T 31 -2.414 4.593 5.699 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.573 2.128 5.571 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -3.937 2.925 4.751 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -2.605 2.232 3.795 1.00 0.00 H new ATOM 479 N THR T 32 -0.125 3.489 6.019 1.00 0.00 N ATOM 480 CA THR T 32 1.300 3.244 6.213 1.00 0.00 C ATOM 481 C THR T 32 1.579 1.768 6.453 1.00 0.00 C ATOM 482 O THR T 32 0.767 0.906 6.119 1.00 0.00 O ATOM 483 CB THR T 32 1.847 4.039 7.411 1.00 0.00 C ATOM 484 OG1 THR T 32 1.461 3.401 8.637 1.00 0.00 O ATOM 485 CG2 THR T 32 1.333 5.469 7.392 1.00 0.00 C ATOM 0 H THR T 32 -0.692 3.360 6.857 1.00 0.00 H new ATOM 0 HA THR T 32 1.798 3.569 5.299 1.00 0.00 H new ATOM 0 HB THR T 32 2.934 4.062 7.340 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.814 3.911 9.396 1.00 0.00 H new ATOM 0 HG21 THR T 32 1.733 6.011 8.249 1.00 0.00 H new ATOM 0 HG22 THR T 32 1.652 5.958 6.472 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.244 5.465 7.442 1.00 0.00 H new ATOM 493 N TYR T 33 2.732 1.490 7.048 1.00 0.00 N ATOM 494 CA TYR T 33 3.125 0.122 7.355 1.00 0.00 C ATOM 495 C TYR T 33 2.375 -0.373 8.580 1.00 0.00 C ATOM 496 O TYR T 33 1.463 -1.194 8.480 1.00 0.00 O ATOM 497 CB TYR T 33 4.631 0.040 7.605 1.00 0.00 C ATOM 498 CG TYR T 33 5.073 -1.224 8.308 1.00 0.00 C ATOM 499 CD1 TYR T 33 4.965 -2.462 7.687 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.594 -1.179 9.595 1.00 0.00 C ATOM 501 CE1 TYR T 33 5.363 -3.618 8.328 1.00 0.00 C ATOM 502 CE2 TYR T 33 5.997 -2.331 10.242 1.00 0.00 C ATOM 503 CZ TYR T 33 5.879 -3.548 9.605 1.00 0.00 C ATOM 504 OH TYR T 33 6.278 -4.698 10.247 1.00 0.00 O ATOM 0 H TYR T 33 3.413 2.196 7.328 1.00 0.00 H new ATOM 0 HA TYR T 33 2.876 -0.508 6.501 1.00 0.00 H new ATOM 0 HB2 TYR T 33 5.151 0.113 6.650 1.00 0.00 H new ATOM 0 HB3 TYR T 33 4.937 0.900 8.201 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.563 -2.521 6.686 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.685 -0.228 10.098 1.00 0.00 H new ATOM 0 HE1 TYR T 33 5.271 -4.573 7.832 1.00 0.00 H new ATOM 0 HE2 TYR T 33 6.402 -2.279 11.242 1.00 0.00 H new ATOM 0 HH TYR T 33 6.619 -4.474 11.138 1.00 0.00 H new ATOM 514 N LYS T 34 2.769 0.142 9.736 1.00 0.00 N ATOM 515 CA LYS T 34 2.141 -0.230 10.995 1.00 0.00 C ATOM 516 C LYS T 34 0.622 -0.190 10.868 1.00 0.00 C ATOM 517 O LYS T 34 -0.080 -1.028 11.435 1.00 0.00 O ATOM 518 CB LYS T 34 2.599 0.705 12.115 1.00 0.00 C ATOM 519 CG LYS T 34 4.102 0.921 12.170 1.00 0.00 C ATOM 520 CD LYS T 34 4.592 1.085 13.599 1.00 0.00 C ATOM 521 CE LYS T 34 5.440 2.335 13.759 1.00 0.00 C ATOM 522 NZ LYS T 34 4.688 3.436 14.422 1.00 0.00 N ATOM 0 H LYS T 34 3.524 0.822 9.828 1.00 0.00 H new ATOM 0 HA LYS T 34 2.443 -1.248 11.241 1.00 0.00 H new ATOM 0 HB2 LYS T 34 2.109 1.671 11.990 1.00 0.00 H new ATOM 0 HB3 LYS T 34 2.266 0.300 13.070 1.00 0.00 H new ATOM 0 HG2 LYS T 34 4.609 0.075 11.706 1.00 0.00 H new ATOM 0 HG3 LYS T 34 4.364 1.806 11.591 1.00 0.00 H new ATOM 0 HD2 LYS T 34 3.737 1.135 14.274 1.00 0.00 H new ATOM 0 HD3 LYS T 34 5.175 0.210 13.887 1.00 0.00 H new ATOM 0 HE2 LYS T 34 6.328 2.098 14.345 1.00 0.00 H new ATOM 0 HE3 LYS T 34 5.783 2.668 12.780 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 5.302 4.271 14.512 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 3.854 3.680 13.851 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 4.382 3.128 15.367 1.00 0.00 H new ATOM 536 N GLN T 35 0.119 0.787 10.116 1.00 0.00 N ATOM 537 CA GLN T 35 -1.314 0.927 9.912 1.00 0.00 C ATOM 538 C GLN T 35 -1.860 -0.263 9.134 1.00 0.00 C ATOM 539 O GLN T 35 -2.820 -0.908 9.558 1.00 0.00 O ATOM 540 CB GLN T 35 -1.614 2.227 9.167 1.00 0.00 C ATOM 541 CG GLN T 35 -1.308 3.477 9.976 1.00 0.00 C ATOM 542 CD GLN T 35 -1.662 4.753 9.238 1.00 0.00 C ATOM 543 OE1 GLN T 35 -2.071 4.720 8.077 1.00 0.00 O ATOM 544 NE2 GLN T 35 -1.507 5.888 9.910 1.00 0.00 N ATOM 0 H GLN T 35 0.684 1.490 9.640 1.00 0.00 H new ATOM 0 HA GLN T 35 -1.803 0.958 10.886 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.033 2.250 8.245 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -2.666 2.238 8.881 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -1.859 3.441 10.916 1.00 0.00 H new ATOM 0 HG3 GLN T 35 -0.248 3.491 10.229 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -1.165 5.869 10.871 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -1.730 6.778 9.465 1.00 0.00 H new ATOM 553 N LEU T 36 -1.233 -0.559 7.999 1.00 0.00 N ATOM 554 CA LEU T 36 -1.652 -1.684 7.172 1.00 0.00 C ATOM 555 C LEU T 36 -1.629 -2.969 7.988 1.00 0.00 C ATOM 556 O LEU T 36 -2.332 -3.931 7.679 1.00 0.00 O ATOM 557 CB LEU T 36 -0.739 -1.822 5.952 1.00 0.00 C ATOM 558 CG LEU T 36 -1.450 -1.803 4.597 1.00 0.00 C ATOM 559 CD1 LEU T 36 -2.279 -3.065 4.413 1.00 0.00 C ATOM 560 CD2 LEU T 36 -2.326 -0.566 4.470 1.00 0.00 C ATOM 0 H LEU T 36 -0.437 -0.037 7.633 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.669 -1.500 6.826 1.00 0.00 H new ATOM 0 HB2 LEU T 36 -0.009 -1.013 5.972 1.00 0.00 H new ATOM 0 HB3 LEU T 36 -0.183 -2.755 6.039 1.00 0.00 H new ATOM 0 HG LEU T 36 -0.694 -1.770 3.813 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -2.778 -3.035 3.444 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -1.628 -3.938 4.459 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -3.026 -3.128 5.204 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -2.823 -0.570 3.500 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -3.075 -0.568 5.262 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -1.708 0.328 4.557 1.00 0.00 H new ATOM 572 N GLU T 37 -0.818 -2.969 9.042 1.00 0.00 N ATOM 573 CA GLU T 37 -0.699 -4.123 9.921 1.00 0.00 C ATOM 574 C GLU T 37 -1.950 -4.277 10.772 1.00 0.00 C ATOM 575 O GLU T 37 -2.658 -5.279 10.688 1.00 0.00 O ATOM 576 CB GLU T 37 0.523 -3.976 10.826 1.00 0.00 C ATOM 577 CG GLU T 37 0.802 -5.204 11.672 1.00 0.00 C ATOM 578 CD GLU T 37 1.497 -4.870 12.979 1.00 0.00 C ATOM 579 OE1 GLU T 37 0.796 -4.502 13.946 1.00 0.00 O ATOM 580 OE2 GLU T 37 2.740 -4.975 13.035 1.00 0.00 O ATOM 0 H GLU T 37 -0.232 -2.178 9.307 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.581 -5.013 9.302 1.00 0.00 H new ATOM 0 HB2 GLU T 37 1.397 -3.762 10.211 1.00 0.00 H new ATOM 0 HB3 GLU T 37 0.378 -3.118 11.482 1.00 0.00 H new ATOM 0 HG2 GLU T 37 -0.137 -5.714 11.885 1.00 0.00 H new ATOM 0 HG3 GLU T 37 1.420 -5.899 11.104 1.00 0.00 H new ATOM 587 N ALA T 38 -2.212 -3.268 11.592 1.00 0.00 N ATOM 588 CA ALA T 38 -3.375 -3.273 12.466 1.00 0.00 C ATOM 589 C ALA T 38 -4.656 -3.467 11.666 1.00 0.00 C ATOM 590 O ALA T 38 -5.702 -3.808 12.221 1.00 0.00 O ATOM 591 CB ALA T 38 -3.439 -1.985 13.273 1.00 0.00 C ATOM 0 H ALA T 38 -1.632 -2.433 11.669 1.00 0.00 H new ATOM 0 HA ALA T 38 -3.278 -4.111 13.157 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -4.315 -2.005 13.922 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -2.539 -1.892 13.881 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -3.509 -1.134 12.595 1.00 0.00 H new ATOM 597 N ALA T 39 -4.564 -3.263 10.358 1.00 0.00 N ATOM 598 CA ALA T 39 -5.710 -3.431 9.475 1.00 0.00 C ATOM 599 C ALA T 39 -5.714 -4.837 8.903 1.00 0.00 C ATOM 600 O ALA T 39 -6.763 -5.407 8.613 1.00 0.00 O ATOM 601 CB ALA T 39 -5.675 -2.402 8.358 1.00 0.00 C ATOM 0 H ALA T 39 -3.706 -2.980 9.885 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.625 -3.280 10.048 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.538 -2.542 7.707 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -5.701 -1.400 8.786 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -4.760 -2.525 7.778 1.00 0.00 H new ATOM 607 N ARG T 40 -4.520 -5.389 8.763 1.00 0.00 N ATOM 608 CA ARG T 40 -4.348 -6.733 8.245 1.00 0.00 C ATOM 609 C ARG T 40 -4.802 -7.749 9.280 1.00 0.00 C ATOM 610 O ARG T 40 -5.311 -8.819 8.942 1.00 0.00 O ATOM 611 CB ARG T 40 -2.880 -6.960 7.908 1.00 0.00 C ATOM 612 CG ARG T 40 -2.530 -8.416 7.643 1.00 0.00 C ATOM 613 CD ARG T 40 -1.545 -8.953 8.668 1.00 0.00 C ATOM 614 NE ARG T 40 -0.560 -9.848 8.070 1.00 0.00 N ATOM 615 CZ ARG T 40 0.279 -10.599 8.778 1.00 0.00 C ATOM 616 NH1 ARG T 40 0.247 -10.563 10.104 1.00 0.00 N ATOM 617 NH2 ARG T 40 1.150 -11.386 8.162 1.00 0.00 N ATOM 0 H ARG T 40 -3.647 -4.919 9.004 1.00 0.00 H new ATOM 0 HA ARG T 40 -4.950 -6.853 7.345 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.623 -6.368 7.029 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -2.267 -6.592 8.731 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -3.439 -9.018 7.661 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -2.104 -8.512 6.644 1.00 0.00 H new ATOM 0 HD2 ARG T 40 -1.032 -8.119 9.148 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -2.089 -9.484 9.449 1.00 0.00 H new ATOM 0 HE ARG T 40 -0.512 -9.901 7.052 1.00 0.00 H new ATOM 0 HH11 ARG T 40 -0.422 -9.959 10.582 1.00 0.00 H new ATOM 0 HH12 ARG T 40 0.891 -11.140 10.646 1.00 0.00 H new ATOM 0 HH21 ARG T 40 1.178 -11.417 7.143 1.00 0.00 H new ATOM 0 HH22 ARG T 40 1.792 -11.961 8.707 1.00 0.00 H new ATOM 631 N LYS T 41 -4.604 -7.406 10.548 1.00 0.00 N ATOM 632 CA LYS T 41 -4.982 -8.284 11.643 1.00 0.00 C ATOM 633 C LYS T 41 -6.498 -8.390 11.774 1.00 0.00 C ATOM 634 O LYS T 41 -7.010 -9.306 12.419 1.00 0.00 O ATOM 635 CB LYS T 41 -4.379 -7.788 12.959 1.00 0.00 C ATOM 636 CG LYS T 41 -2.919 -7.387 12.845 1.00 0.00 C ATOM 637 CD LYS T 41 -2.214 -7.460 14.189 1.00 0.00 C ATOM 638 CE LYS T 41 -1.778 -6.085 14.666 1.00 0.00 C ATOM 639 NZ LYS T 41 -2.298 -5.778 16.027 1.00 0.00 N ATOM 0 H LYS T 41 -4.183 -6.524 10.841 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.589 -9.276 11.420 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -4.955 -6.934 13.314 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -4.474 -8.571 13.711 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -2.416 -8.041 12.133 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -2.849 -6.373 12.451 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -2.880 -7.907 14.926 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -1.344 -8.111 14.109 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -0.689 -6.032 14.673 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -2.130 -5.329 13.964 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 -1.978 -4.831 16.315 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 -3.338 -5.804 16.015 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 -1.942 -6.484 16.702 1.00 0.00 H new ATOM 653 N ILE T 42 -7.213 -7.453 11.160 1.00 0.00 N ATOM 654 CA ILE T 42 -8.667 -7.452 11.215 1.00 0.00 C ATOM 655 C ILE T 42 -9.252 -8.264 10.066 1.00 0.00 C ATOM 656 O ILE T 42 -10.442 -8.581 10.056 1.00 0.00 O ATOM 657 CB ILE T 42 -9.223 -6.019 11.156 1.00 0.00 C ATOM 658 CG1 ILE T 42 -9.147 -5.485 9.727 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.448 -5.116 12.105 1.00 0.00 C ATOM 660 CD1 ILE T 42 -10.418 -4.808 9.264 1.00 0.00 C ATOM 0 H ILE T 42 -6.809 -6.687 10.620 1.00 0.00 H new ATOM 0 HA ILE T 42 -8.957 -7.906 12.163 1.00 0.00 H new ATOM 0 HB ILE T 42 -10.268 -6.032 11.467 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -8.322 -4.777 9.656 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -8.918 -6.309 9.052 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -8.850 -4.104 12.055 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.541 -5.493 13.123 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -7.397 -5.103 11.818 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -10.290 -4.454 8.241 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -11.243 -5.519 9.302 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.638 -3.962 9.915 1.00 0.00 H new ATOM 672 N GLY T 43 -8.405 -8.596 9.098 1.00 0.00 N ATOM 673 CA GLY T 43 -8.849 -9.367 7.953 1.00 0.00 C ATOM 674 C GLY T 43 -8.511 -8.683 6.643 1.00 0.00 C ATOM 675 O GLY T 43 -9.015 -9.066 5.587 1.00 0.00 O ATOM 0 H GLY T 43 -7.417 -8.344 9.087 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -8.385 -10.353 7.978 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -9.926 -9.520 8.015 1.00 0.00 H new ATOM 679 N PHE T 44 -7.655 -7.666 6.709 1.00 0.00 N ATOM 680 CA PHE T 44 -7.254 -6.932 5.514 1.00 0.00 C ATOM 681 C PHE T 44 -6.182 -7.693 4.743 1.00 0.00 C ATOM 682 O PHE T 44 -5.152 -8.070 5.300 1.00 0.00 O ATOM 683 CB PHE T 44 -6.736 -5.542 5.893 1.00 0.00 C ATOM 684 CG PHE T 44 -6.727 -4.563 4.752 1.00 0.00 C ATOM 685 CD1 PHE T 44 -7.328 -4.878 3.544 1.00 0.00 C ATOM 686 CD2 PHE T 44 -6.118 -3.327 4.891 1.00 0.00 C ATOM 687 CE1 PHE T 44 -7.322 -3.978 2.496 1.00 0.00 C ATOM 688 CE2 PHE T 44 -6.107 -2.422 3.847 1.00 0.00 C ATOM 689 CZ PHE T 44 -6.710 -2.749 2.647 1.00 0.00 C ATOM 0 H PHE T 44 -7.228 -7.333 7.574 1.00 0.00 H new ATOM 0 HA PHE T 44 -8.129 -6.824 4.874 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -7.353 -5.142 6.697 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -5.724 -5.637 6.285 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -7.807 -5.838 3.420 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -5.646 -3.067 5.827 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -7.795 -4.235 1.560 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -5.628 -1.461 3.968 1.00 0.00 H new ATOM 0 HZ PHE T 44 -6.703 -2.044 1.829 1.00 0.00 H new ATOM 699 N HIS T 45 -6.432 -7.918 3.456 1.00 0.00 N ATOM 700 CA HIS T 45 -5.490 -8.638 2.609 1.00 0.00 C ATOM 701 C HIS T 45 -5.585 -8.168 1.161 1.00 0.00 C ATOM 702 O HIS T 45 -6.665 -8.167 0.569 1.00 0.00 O ATOM 703 CB HIS T 45 -5.754 -10.144 2.689 1.00 0.00 C ATOM 704 CG HIS T 45 -4.760 -10.980 1.942 1.00 0.00 C ATOM 705 ND1 HIS T 45 -4.358 -12.229 2.367 1.00 0.00 N ATOM 706 CD2 HIS T 45 -4.086 -10.741 0.791 1.00 0.00 C ATOM 707 CE1 HIS T 45 -3.481 -12.722 1.510 1.00 0.00 C ATOM 708 NE2 HIS T 45 -3.300 -11.839 0.546 1.00 0.00 N ATOM 0 H HIS T 45 -7.279 -7.611 2.978 1.00 0.00 H new ATOM 0 HA HIS T 45 -4.483 -8.431 2.970 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.753 -10.447 3.736 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.751 -10.348 2.299 1.00 0.00 H new ATOM 0 HD1 HIS T 45 -4.686 -12.699 3.211 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -4.155 -9.853 0.181 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -2.995 -13.684 1.586 1.00 0.00 H new ATOM 717 N VAL T 46 -4.447 -7.777 0.595 1.00 0.00 N ATOM 718 CA VAL T 46 -4.400 -7.311 -0.788 1.00 0.00 C ATOM 719 C VAL T 46 -3.035 -7.586 -1.413 1.00 0.00 C ATOM 720 O VAL T 46 -2.067 -6.870 -1.154 1.00 0.00 O ATOM 721 CB VAL T 46 -4.706 -5.802 -0.897 1.00 0.00 C ATOM 722 CG1 VAL T 46 -5.938 -5.571 -1.758 1.00 0.00 C ATOM 723 CG2 VAL T 46 -4.890 -5.178 0.479 1.00 0.00 C ATOM 0 H VAL T 46 -3.545 -7.773 1.072 1.00 0.00 H new ATOM 0 HA VAL T 46 -5.168 -7.864 -1.328 1.00 0.00 H new ATOM 0 HB VAL T 46 -3.853 -5.318 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -6.140 -4.502 -1.825 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -5.764 -5.970 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -6.795 -6.075 -1.310 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -5.104 -4.115 0.371 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -5.720 -5.665 0.991 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -3.978 -5.307 1.062 1.00 0.00 H new ATOM 733 N CYS T 47 -2.966 -8.630 -2.234 1.00 0.00 N ATOM 734 CA CYS T 47 -1.720 -9.006 -2.895 1.00 0.00 C ATOM 735 C CYS T 47 -1.301 -7.961 -3.926 1.00 0.00 C ATOM 736 O CYS T 47 -1.619 -8.082 -5.109 1.00 0.00 O ATOM 737 CB CYS T 47 -1.868 -10.370 -3.571 1.00 0.00 C ATOM 738 SG CYS T 47 -3.263 -11.361 -2.947 1.00 0.00 S ATOM 0 H CYS T 47 -3.759 -9.231 -2.458 1.00 0.00 H new ATOM 0 HA CYS T 47 -0.944 -9.064 -2.132 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -1.993 -10.220 -4.643 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -0.945 -10.934 -3.433 1.00 0.00 H new ATOM 0 HG CYS T 47 -3.173 -11.472 -1.655 1.00 0.00 H new ATOM 743 N ALA T 48 -0.581 -6.943 -3.468 1.00 0.00 N ATOM 744 CA ALA T 48 -0.108 -5.879 -4.347 1.00 0.00 C ATOM 745 C ALA T 48 0.634 -4.807 -3.557 1.00 0.00 C ATOM 746 O ALA T 48 0.067 -4.179 -2.663 1.00 0.00 O ATOM 747 CB ALA T 48 -1.271 -5.262 -5.112 1.00 0.00 C ATOM 0 H ALA T 48 -0.311 -6.832 -2.491 1.00 0.00 H new ATOM 0 HA ALA T 48 0.588 -6.318 -5.062 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.899 -4.470 -5.763 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -1.758 -6.029 -5.715 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.990 -4.845 -4.407 1.00 0.00 H new ATOM 753 N ALA T 49 1.905 -4.605 -3.893 1.00 0.00 N ATOM 754 CA ALA T 49 2.726 -3.610 -3.214 1.00 0.00 C ATOM 755 C ALA T 49 1.951 -2.316 -2.998 1.00 0.00 C ATOM 756 O ALA T 49 1.520 -1.673 -3.955 1.00 0.00 O ATOM 757 CB ALA T 49 3.993 -3.340 -4.013 1.00 0.00 C ATOM 0 H ALA T 49 2.388 -5.117 -4.631 1.00 0.00 H new ATOM 0 HA ALA T 49 3.002 -4.006 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA T 49 4.598 -2.595 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA T 49 4.563 -4.264 -4.114 1.00 0.00 H new ATOM 0 HB3 ALA T 49 3.727 -2.968 -5.002 1.00 0.00 H new ATOM 763 N GLY T 50 1.774 -1.940 -1.736 1.00 0.00 N ATOM 764 CA GLY T 50 1.048 -0.725 -1.424 1.00 0.00 C ATOM 765 C GLY T 50 1.916 0.323 -0.757 1.00 0.00 C ATOM 766 O GLY T 50 2.523 0.067 0.283 1.00 0.00 O ATOM 0 H GLY T 50 2.120 -2.454 -0.926 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.628 -0.312 -2.341 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.210 -0.966 -0.770 1.00 0.00 H new ATOM 770 N TRP T 51 1.978 1.502 -1.363 1.00 0.00 N ATOM 771 CA TRP T 51 2.781 2.597 -0.836 1.00 0.00 C ATOM 772 C TRP T 51 2.453 2.889 0.626 1.00 0.00 C ATOM 773 O TRP T 51 1.498 2.348 1.184 1.00 0.00 O ATOM 774 CB TRP T 51 2.562 3.851 -1.677 1.00 0.00 C ATOM 775 CG TRP T 51 3.392 3.871 -2.919 1.00 0.00 C ATOM 776 CD1 TRP T 51 2.961 3.655 -4.195 1.00 0.00 C ATOM 777 CD2 TRP T 51 4.801 4.107 -3.002 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.018 3.746 -5.070 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.159 4.025 -4.359 1.00 0.00 C ATOM 780 CE3 TRP T 51 5.792 4.386 -2.057 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.470 4.209 -4.795 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.090 4.568 -2.489 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.421 4.480 -3.847 1.00 0.00 C ATOM 0 H TRP T 51 1.479 1.724 -2.224 1.00 0.00 H new ATOM 0 HA TRP T 51 3.827 2.296 -0.887 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.509 3.920 -1.949 1.00 0.00 H new ATOM 0 HB3 TRP T 51 2.795 4.730 -1.076 1.00 0.00 H new ATOM 0 HD1 TRP T 51 1.940 3.444 -4.477 1.00 0.00 H new ATOM 0 HE1 TRP T 51 3.963 3.626 -6.081 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.547 4.458 -1.008 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 6.727 4.140 -5.842 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 7.864 4.782 -1.767 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.446 4.629 -4.153 1.00 0.00 H new ATOM 794 N MET T 52 3.257 3.757 1.235 1.00 0.00 N ATOM 795 CA MET T 52 3.070 4.144 2.630 1.00 0.00 C ATOM 796 C MET T 52 3.954 5.341 2.976 1.00 0.00 C ATOM 797 O MET T 52 4.778 5.769 2.167 1.00 0.00 O ATOM 798 CB MET T 52 3.385 2.971 3.561 1.00 0.00 C ATOM 799 CG MET T 52 4.635 2.198 3.174 1.00 0.00 C ATOM 800 SD MET T 52 5.067 0.925 4.375 1.00 0.00 S ATOM 801 CE MET T 52 4.498 -0.547 3.528 1.00 0.00 C ATOM 0 H MET T 52 4.050 4.209 0.780 1.00 0.00 H new ATOM 0 HA MET T 52 2.027 4.428 2.768 1.00 0.00 H new ATOM 0 HB2 MET T 52 3.502 3.347 4.577 1.00 0.00 H new ATOM 0 HB3 MET T 52 2.535 2.288 3.570 1.00 0.00 H new ATOM 0 HG2 MET T 52 4.483 1.735 2.199 1.00 0.00 H new ATOM 0 HG3 MET T 52 5.469 2.892 3.071 1.00 0.00 H new ATOM 0 HE1 MET T 52 3.849 -1.120 4.190 1.00 0.00 H new ATOM 0 HE2 MET T 52 3.944 -0.261 2.634 1.00 0.00 H new ATOM 0 HE3 MET T 52 5.355 -1.157 3.244 1.00 0.00 H new ATOM 811 N ALA T 53 3.773 5.881 4.178 1.00 0.00 N ATOM 812 CA ALA T 53 4.550 7.035 4.626 1.00 0.00 C ATOM 813 C ALA T 53 6.047 6.819 4.423 1.00 0.00 C ATOM 814 O ALA T 53 6.511 5.685 4.300 1.00 0.00 O ATOM 815 CB ALA T 53 4.254 7.330 6.090 1.00 0.00 C ATOM 0 H ALA T 53 3.096 5.539 4.860 1.00 0.00 H new ATOM 0 HA ALA T 53 4.254 7.891 4.020 1.00 0.00 H new ATOM 0 HB1 ALA T 53 4.838 8.192 6.413 1.00 0.00 H new ATOM 0 HB2 ALA T 53 3.192 7.546 6.210 1.00 0.00 H new ATOM 0 HB3 ALA T 53 4.519 6.464 6.696 1.00 0.00 H new ATOM 821 N LYS T 54 6.797 7.918 4.393 1.00 0.00 N ATOM 822 CA LYS T 54 8.243 7.865 4.211 1.00 0.00 C ATOM 823 C LYS T 54 8.607 7.370 2.814 1.00 0.00 C ATOM 824 O LYS T 54 9.744 6.976 2.564 1.00 0.00 O ATOM 825 CB LYS T 54 8.879 6.956 5.267 1.00 0.00 C ATOM 826 CG LYS T 54 9.419 7.705 6.474 1.00 0.00 C ATOM 827 CD LYS T 54 10.728 8.411 6.162 1.00 0.00 C ATOM 828 CE LYS T 54 11.024 9.505 7.175 1.00 0.00 C ATOM 829 NZ LYS T 54 12.050 9.085 8.170 1.00 0.00 N ATOM 0 H LYS T 54 6.423 8.862 4.493 1.00 0.00 H new ATOM 0 HA LYS T 54 8.631 8.877 4.327 1.00 0.00 H new ATOM 0 HB2 LYS T 54 8.138 6.230 5.603 1.00 0.00 H new ATOM 0 HB3 LYS T 54 9.691 6.393 4.807 1.00 0.00 H new ATOM 0 HG2 LYS T 54 8.682 8.436 6.807 1.00 0.00 H new ATOM 0 HG3 LYS T 54 9.570 7.007 7.297 1.00 0.00 H new ATOM 0 HD2 LYS T 54 11.542 7.686 6.159 1.00 0.00 H new ATOM 0 HD3 LYS T 54 10.681 8.842 5.162 1.00 0.00 H new ATOM 0 HE2 LYS T 54 11.370 10.398 6.653 1.00 0.00 H new ATOM 0 HE3 LYS T 54 10.105 9.775 7.695 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 12.221 9.861 8.841 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 11.711 8.249 8.687 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 12.936 8.852 7.678 1.00 0.00 H new ATOM 843 N GLY T 55 7.638 7.392 1.906 1.00 0.00 N ATOM 844 CA GLY T 55 7.889 6.939 0.551 1.00 0.00 C ATOM 845 C GLY T 55 8.233 5.464 0.513 1.00 0.00 C ATOM 846 O GLY T 55 9.026 5.024 -0.318 1.00 0.00 O ATOM 0 H GLY T 55 6.687 7.714 2.083 1.00 0.00 H new ATOM 0 HA2 GLY T 55 7.009 7.124 -0.065 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.707 7.516 0.119 1.00 0.00 H new ATOM 850 N ARG T 56 7.635 4.702 1.421 1.00 0.00 N ATOM 851 CA ARG T 56 7.876 3.267 1.498 1.00 0.00 C ATOM 852 C ARG T 56 6.734 2.491 0.853 1.00 0.00 C ATOM 853 O ARG T 56 5.620 2.998 0.727 1.00 0.00 O ATOM 854 CB ARG T 56 8.037 2.836 2.959 1.00 0.00 C ATOM 855 CG ARG T 56 9.473 2.526 3.348 1.00 0.00 C ATOM 856 CD ARG T 56 9.538 1.768 4.664 1.00 0.00 C ATOM 857 NE ARG T 56 10.385 2.442 5.644 1.00 0.00 N ATOM 858 CZ ARG T 56 10.144 2.441 6.952 1.00 0.00 C ATOM 859 NH1 ARG T 56 9.084 1.805 7.433 1.00 0.00 N ATOM 860 NH2 ARG T 56 10.962 3.078 7.779 1.00 0.00 N ATOM 0 H ARG T 56 6.978 5.056 2.116 1.00 0.00 H new ATOM 0 HA ARG T 56 8.795 3.046 0.956 1.00 0.00 H new ATOM 0 HB2 ARG T 56 7.657 3.626 3.606 1.00 0.00 H new ATOM 0 HB3 ARG T 56 7.422 1.954 3.139 1.00 0.00 H new ATOM 0 HG2 ARG T 56 9.945 1.936 2.563 1.00 0.00 H new ATOM 0 HG3 ARG T 56 10.038 3.455 3.433 1.00 0.00 H new ATOM 0 HD2 ARG T 56 8.532 1.659 5.069 1.00 0.00 H new ATOM 0 HD3 ARG T 56 9.920 0.763 4.485 1.00 0.00 H new ATOM 0 HE ARG T 56 11.208 2.942 5.307 1.00 0.00 H new ATOM 0 HH11 ARG T 56 8.452 1.316 6.799 1.00 0.00 H new ATOM 0 HH12 ARG T 56 8.901 1.805 8.436 1.00 0.00 H new ATOM 0 HH21 ARG T 56 11.777 3.569 7.412 1.00 0.00 H new ATOM 0 HH22 ARG T 56 10.776 3.077 8.782 1.00 0.00 H new ATOM 874 N VAL T 57 7.019 1.262 0.440 1.00 0.00 N ATOM 875 CA VAL T 57 6.021 0.416 -0.193 1.00 0.00 C ATOM 876 C VAL T 57 6.349 -1.060 0.001 1.00 0.00 C ATOM 877 O VAL T 57 7.363 -1.552 -0.496 1.00 0.00 O ATOM 878 CB VAL T 57 5.912 0.726 -1.695 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.275 1.081 -2.268 1.00 0.00 C ATOM 880 CG2 VAL T 57 5.294 -0.444 -2.448 1.00 0.00 C ATOM 0 H VAL T 57 7.938 0.830 0.534 1.00 0.00 H new ATOM 0 HA VAL T 57 5.064 0.629 0.284 1.00 0.00 H new ATOM 0 HB VAL T 57 5.256 1.587 -1.818 1.00 0.00 H new ATOM 0 HG11 VAL T 57 7.177 1.297 -3.332 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.668 1.958 -1.754 1.00 0.00 H new ATOM 0 HG13 VAL T 57 7.958 0.243 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL T 57 5.228 -0.200 -3.508 1.00 0.00 H new ATOM 0 HG22 VAL T 57 5.916 -1.330 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL T 57 4.295 -0.641 -2.058 1.00 0.00 H new ATOM 890 N GLY T 58 5.485 -1.761 0.728 1.00 0.00 N ATOM 891 CA GLY T 58 5.699 -3.174 0.979 1.00 0.00 C ATOM 892 C GLY T 58 4.487 -4.011 0.624 1.00 0.00 C ATOM 893 O GLY T 58 3.554 -3.524 -0.015 1.00 0.00 O ATOM 0 H GLY T 58 4.640 -1.375 1.148 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.557 -3.518 0.401 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.944 -3.321 2.031 1.00 0.00 H new ATOM 897 N TYR T 59 4.499 -5.273 1.037 1.00 0.00 N ATOM 898 CA TYR T 59 3.389 -6.178 0.753 1.00 0.00 C ATOM 899 C TYR T 59 3.015 -6.991 1.989 1.00 0.00 C ATOM 900 O TYR T 59 3.700 -7.949 2.344 1.00 0.00 O ATOM 901 CB TYR T 59 3.743 -7.120 -0.402 1.00 0.00 C ATOM 902 CG TYR T 59 5.057 -6.785 -1.074 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.205 -5.621 -1.820 1.00 0.00 C ATOM 904 CD2 TYR T 59 6.150 -7.637 -0.964 1.00 0.00 C ATOM 905 CE1 TYR T 59 6.404 -5.318 -2.437 1.00 0.00 C ATOM 906 CE2 TYR T 59 7.352 -7.338 -1.577 1.00 0.00 C ATOM 907 CZ TYR T 59 7.474 -6.178 -2.313 1.00 0.00 C ATOM 908 OH TYR T 59 8.669 -5.878 -2.924 1.00 0.00 O ATOM 0 H TYR T 59 5.262 -5.693 1.568 1.00 0.00 H new ATOM 0 HA TYR T 59 2.531 -5.571 0.465 1.00 0.00 H new ATOM 0 HB2 TYR T 59 3.787 -8.142 -0.026 1.00 0.00 H new ATOM 0 HB3 TYR T 59 2.946 -7.087 -1.144 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.370 -4.943 -1.919 1.00 0.00 H new ATOM 0 HD2 TYR T 59 6.058 -8.547 -0.390 1.00 0.00 H new ATOM 0 HE1 TYR T 59 6.502 -4.411 -3.014 1.00 0.00 H new ATOM 0 HE2 TYR T 59 8.192 -8.010 -1.480 1.00 0.00 H new ATOM 0 HH TYR T 59 9.410 -6.120 -2.330 1.00 0.00 H new ATOM 918 N PRO T 60 1.912 -6.617 2.660 1.00 0.00 N ATOM 919 CA PRO T 60 1.441 -7.314 3.864 1.00 0.00 C ATOM 920 C PRO T 60 1.101 -8.776 3.583 1.00 0.00 C ATOM 921 O PRO T 60 1.970 -9.645 3.642 1.00 0.00 O ATOM 922 CB PRO T 60 0.181 -6.540 4.269 1.00 0.00 C ATOM 923 CG PRO T 60 0.261 -5.235 3.554 1.00 0.00 C ATOM 924 CD PRO T 60 1.042 -5.487 2.298 1.00 0.00 C ATOM 0 HA PRO T 60 2.203 -7.337 4.643 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -0.720 -7.085 3.989 1.00 0.00 H new ATOM 0 HB3 PRO T 60 0.142 -6.393 5.348 1.00 0.00 H new ATOM 0 HG2 PRO T 60 -0.735 -4.857 3.323 1.00 0.00 H new ATOM 0 HG3 PRO T 60 0.752 -4.483 4.172 1.00 0.00 H new ATOM 0 HD2 PRO T 60 0.389 -5.734 1.461 1.00 0.00 H new ATOM 0 HD3 PRO T 60 1.621 -4.612 2.002 1.00 0.00 H new ATOM 932 N ILE T 61 -0.168 -9.037 3.281 1.00 0.00 N ATOM 933 CA ILE T 61 -0.628 -10.390 2.991 1.00 0.00 C ATOM 934 C ILE T 61 -0.743 -11.215 4.267 1.00 0.00 C ATOM 935 O ILE T 61 0.263 -11.565 4.885 1.00 0.00 O ATOM 936 CB ILE T 61 0.318 -11.113 2.011 1.00 0.00 C ATOM 937 CG1 ILE T 61 0.549 -10.256 0.765 1.00 0.00 C ATOM 938 CG2 ILE T 61 -0.252 -12.469 1.625 1.00 0.00 C ATOM 939 CD1 ILE T 61 -0.718 -9.950 -0.001 1.00 0.00 C ATOM 0 H ILE T 61 -0.898 -8.326 3.231 1.00 0.00 H new ATOM 0 HA ILE T 61 -1.611 -10.295 2.529 1.00 0.00 H new ATOM 0 HB ILE T 61 1.276 -11.270 2.506 1.00 0.00 H new ATOM 0 HG12 ILE T 61 1.020 -9.319 1.061 1.00 0.00 H new ATOM 0 HG13 ILE T 61 1.248 -10.770 0.105 1.00 0.00 H new ATOM 0 HG21 ILE T 61 0.428 -12.966 0.933 1.00 0.00 H new ATOM 0 HG22 ILE T 61 -0.371 -13.081 2.519 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -1.222 -12.333 1.146 1.00 0.00 H new ATOM 0 HD11 ILE T 61 -0.478 -9.339 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE T 61 -1.180 -10.882 -0.328 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -1.411 -9.408 0.643 1.00 0.00 H new ATOM 951 N VAL T 62 -1.975 -11.524 4.657 1.00 0.00 N ATOM 952 CA VAL T 62 -2.217 -12.309 5.860 1.00 0.00 C ATOM 953 C VAL T 62 -2.062 -13.799 5.579 1.00 0.00 C ATOM 954 O VAL T 62 -1.541 -14.547 6.407 1.00 0.00 O ATOM 955 CB VAL T 62 -3.624 -12.051 6.434 1.00 0.00 C ATOM 956 CG1 VAL T 62 -3.559 -11.868 7.944 1.00 0.00 C ATOM 957 CG2 VAL T 62 -4.263 -10.841 5.770 1.00 0.00 C ATOM 0 H VAL T 62 -2.819 -11.243 4.158 1.00 0.00 H new ATOM 0 HA VAL T 62 -1.474 -11.997 6.594 1.00 0.00 H new ATOM 0 HB VAL T 62 -4.246 -12.920 6.222 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -4.561 -11.687 8.332 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -3.150 -12.768 8.402 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -2.919 -11.018 8.180 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -5.255 -10.677 6.190 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -3.645 -9.961 5.946 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -4.348 -11.017 4.698 1.00 0.00 H new ATOM 1104 N THR T 73 5.528 -14.147 5.028 1.00 0.00 N ATOM 1105 CA THR T 73 4.731 -13.816 6.203 1.00 0.00 C ATOM 1106 C THR T 73 5.042 -12.408 6.702 1.00 0.00 C ATOM 1107 O THR T 73 6.204 -12.055 6.911 1.00 0.00 O ATOM 1108 CB THR T 73 4.977 -14.816 7.344 1.00 0.00 C ATOM 1109 OG1 THR T 73 6.236 -15.475 7.158 1.00 0.00 O ATOM 1110 CG2 THR T 73 3.863 -15.851 7.408 1.00 0.00 C ATOM 0 HA THR T 73 3.685 -13.868 5.900 1.00 0.00 H new ATOM 0 HB THR T 73 4.992 -14.263 8.283 1.00 0.00 H new ATOM 0 HG1 THR T 73 6.581 -15.275 6.263 1.00 0.00 H new ATOM 0 HG21 THR T 73 4.060 -16.547 8.223 1.00 0.00 H new ATOM 0 HG22 THR T 73 2.910 -15.350 7.581 1.00 0.00 H new ATOM 0 HG23 THR T 73 3.820 -16.398 6.466 1.00 0.00 H new ATOM 1118 N GLY T 74 3.998 -11.609 6.891 1.00 0.00 N ATOM 1119 CA GLY T 74 4.179 -10.249 7.365 1.00 0.00 C ATOM 1120 C GLY T 74 4.293 -9.261 6.221 1.00 0.00 C ATOM 1121 O GLY T 74 4.304 -9.652 5.054 1.00 0.00 O ATOM 0 H GLY T 74 3.029 -11.879 6.724 1.00 0.00 H new ATOM 0 HA2 GLY T 74 3.339 -9.972 8.001 1.00 0.00 H new ATOM 0 HA3 GLY T 74 5.077 -10.196 7.981 1.00 0.00 H new ATOM 1125 N ILE T 75 4.378 -7.976 6.554 1.00 0.00 N ATOM 1126 CA ILE T 75 4.492 -6.933 5.543 1.00 0.00 C ATOM 1127 C ILE T 75 5.894 -6.900 4.948 1.00 0.00 C ATOM 1128 O ILE T 75 6.799 -6.275 5.502 1.00 0.00 O ATOM 1129 CB ILE T 75 4.163 -5.545 6.120 1.00 0.00 C ATOM 1130 CG1 ILE T 75 2.936 -5.624 7.036 1.00 0.00 C ATOM 1131 CG2 ILE T 75 3.944 -4.544 4.995 1.00 0.00 C ATOM 1132 CD1 ILE T 75 1.839 -4.641 6.686 1.00 0.00 C ATOM 0 H ILE T 75 4.370 -7.634 7.515 1.00 0.00 H new ATOM 0 HA ILE T 75 3.769 -7.172 4.763 1.00 0.00 H new ATOM 0 HB ILE T 75 5.008 -5.203 6.718 1.00 0.00 H new ATOM 0 HG12 ILE T 75 2.530 -6.635 6.995 1.00 0.00 H new ATOM 0 HG13 ILE T 75 3.252 -5.449 8.064 1.00 0.00 H new ATOM 0 HG21 ILE T 75 3.712 -3.566 5.418 1.00 0.00 H new ATOM 0 HG22 ILE T 75 4.848 -4.473 4.390 1.00 0.00 H new ATOM 0 HG23 ILE T 75 3.115 -4.875 4.370 1.00 0.00 H new ATOM 0 HD11 ILE T 75 1.008 -4.761 7.381 1.00 0.00 H new ATOM 0 HD12 ILE T 75 2.226 -3.624 6.755 1.00 0.00 H new ATOM 0 HD13 ILE T 75 1.493 -4.829 5.670 1.00 0.00 H new ATOM 1144 N ILE T 76 6.066 -7.574 3.818 1.00 0.00 N ATOM 1145 CA ILE T 76 7.357 -7.622 3.146 1.00 0.00 C ATOM 1146 C ILE T 76 7.733 -6.256 2.582 1.00 0.00 C ATOM 1147 O ILE T 76 7.543 -5.988 1.395 1.00 0.00 O ATOM 1148 CB ILE T 76 7.357 -8.657 2.005 1.00 0.00 C ATOM 1149 CG1 ILE T 76 6.777 -9.988 2.491 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.765 -8.851 1.466 1.00 0.00 C ATOM 1151 CD1 ILE T 76 7.393 -10.487 3.780 1.00 0.00 C ATOM 0 H ILE T 76 5.326 -8.095 3.348 1.00 0.00 H new ATOM 0 HA ILE T 76 8.094 -7.918 3.893 1.00 0.00 H new ATOM 0 HB ILE T 76 6.728 -8.284 1.197 1.00 0.00 H new ATOM 0 HG12 ILE T 76 5.702 -9.875 2.632 1.00 0.00 H new ATOM 0 HG13 ILE T 76 6.919 -10.741 1.716 1.00 0.00 H new ATOM 0 HG21 ILE T 76 8.748 -9.585 0.661 1.00 0.00 H new ATOM 0 HG22 ILE T 76 9.142 -7.902 1.084 1.00 0.00 H new ATOM 0 HG23 ILE T 76 9.415 -9.205 2.266 1.00 0.00 H new ATOM 0 HD11 ILE T 76 6.932 -11.434 4.061 1.00 0.00 H new ATOM 0 HD12 ILE T 76 8.464 -10.633 3.639 1.00 0.00 H new ATOM 0 HD13 ILE T 76 7.228 -9.754 4.570 1.00 0.00 H new ATOM 1163 N ASP T 77 8.267 -5.393 3.441 1.00 0.00 N ATOM 1164 CA ASP T 77 8.671 -4.053 3.032 1.00 0.00 C ATOM 1165 C ASP T 77 10.191 -3.934 2.992 1.00 0.00 C ATOM 1166 O ASP T 77 10.866 -4.137 4.002 1.00 0.00 O ATOM 1167 CB ASP T 77 8.089 -3.008 3.985 1.00 0.00 C ATOM 1168 CG ASP T 77 8.833 -1.688 3.928 1.00 0.00 C ATOM 1169 OD1 ASP T 77 8.698 -0.974 2.913 1.00 0.00 O ATOM 1170 OD2 ASP T 77 9.551 -1.369 4.899 1.00 0.00 O ATOM 0 H ASP T 77 8.430 -5.599 4.427 1.00 0.00 H new ATOM 0 HA ASP T 77 8.284 -3.873 2.029 1.00 0.00 H new ATOM 0 HB2 ASP T 77 7.041 -2.841 3.738 1.00 0.00 H new ATOM 0 HB3 ASP T 77 8.119 -3.394 5.004 1.00 0.00 H new ATOM 1175 N TYR T 78 10.724 -3.612 1.818 1.00 0.00 N ATOM 1176 CA TYR T 78 12.160 -3.473 1.640 1.00 0.00 C ATOM 1177 C TYR T 78 12.632 -2.076 2.031 1.00 0.00 C ATOM 1178 O TYR T 78 13.753 -1.679 1.716 1.00 0.00 O ATOM 1179 CB TYR T 78 12.527 -3.762 0.185 1.00 0.00 C ATOM 1180 CG TYR T 78 12.182 -5.166 -0.258 1.00 0.00 C ATOM 1181 CD1 TYR T 78 10.872 -5.626 -0.213 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.165 -6.032 -0.721 1.00 0.00 C ATOM 1183 CE1 TYR T 78 10.550 -6.908 -0.614 1.00 0.00 C ATOM 1184 CE2 TYR T 78 12.851 -7.316 -1.126 1.00 0.00 C ATOM 1185 CZ TYR T 78 11.543 -7.749 -1.070 1.00 0.00 C ATOM 1186 OH TYR T 78 11.227 -9.026 -1.473 1.00 0.00 O ATOM 0 H TYR T 78 10.178 -3.442 0.974 1.00 0.00 H new ATOM 0 HA TYR T 78 12.658 -4.190 2.292 1.00 0.00 H new ATOM 0 HB2 TYR T 78 12.012 -3.050 -0.459 1.00 0.00 H new ATOM 0 HB3 TYR T 78 13.596 -3.599 0.049 1.00 0.00 H new ATOM 0 HD1 TYR T 78 10.091 -4.970 0.142 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.191 -5.697 -0.765 1.00 0.00 H new ATOM 0 HE1 TYR T 78 9.526 -7.250 -0.571 1.00 0.00 H new ATOM 0 HE2 TYR T 78 13.626 -7.977 -1.485 1.00 0.00 H new ATOM 0 HH TYR T 78 12.040 -9.487 -1.767 1.00 0.00 H new ATOM 1196 N GLY T 79 11.769 -1.336 2.719 1.00 0.00 N ATOM 1197 CA GLY T 79 12.119 0.008 3.143 1.00 0.00 C ATOM 1198 C GLY T 79 12.128 0.968 1.969 1.00 0.00 C ATOM 1199 O GLY T 79 11.876 0.570 0.831 1.00 0.00 O ATOM 0 H GLY T 79 10.835 -1.642 2.991 1.00 0.00 H new ATOM 0 HA2 GLY T 79 11.407 0.353 3.893 1.00 0.00 H new ATOM 0 HA3 GLY T 79 13.101 -0.001 3.616 1.00 0.00 H new ATOM 1203 N ILE T 80 12.420 2.235 2.245 1.00 0.00 N ATOM 1204 CA ILE T 80 12.462 3.254 1.204 1.00 0.00 C ATOM 1205 C ILE T 80 13.535 2.939 0.171 1.00 0.00 C ATOM 1206 O ILE T 80 14.718 2.846 0.496 1.00 0.00 O ATOM 1207 CB ILE T 80 12.731 4.652 1.794 1.00 0.00 C ATOM 1208 CG1 ILE T 80 11.745 4.948 2.926 1.00 0.00 C ATOM 1209 CG2 ILE T 80 12.635 5.713 0.707 1.00 0.00 C ATOM 1210 CD1 ILE T 80 12.141 6.129 3.786 1.00 0.00 C ATOM 0 H ILE T 80 12.631 2.580 3.181 1.00 0.00 H new ATOM 0 HA ILE T 80 11.484 3.253 0.723 1.00 0.00 H new ATOM 0 HB ILE T 80 13.741 4.671 2.203 1.00 0.00 H new ATOM 0 HG12 ILE T 80 10.760 5.136 2.498 1.00 0.00 H new ATOM 0 HG13 ILE T 80 11.655 4.064 3.558 1.00 0.00 H new ATOM 0 HG21 ILE T 80 12.827 6.695 1.139 1.00 0.00 H new ATOM 0 HG22 ILE T 80 13.373 5.507 -0.069 1.00 0.00 H new ATOM 0 HG23 ILE T 80 11.636 5.698 0.271 1.00 0.00 H new ATOM 0 HD11 ILE T 80 11.395 6.277 4.566 1.00 0.00 H new ATOM 0 HD12 ILE T 80 13.111 5.937 4.244 1.00 0.00 H new ATOM 0 HD13 ILE T 80 12.203 7.025 3.168 1.00 0.00 H new ATOM 1222 N ARG T 81 13.114 2.773 -1.078 1.00 0.00 N ATOM 1223 CA ARG T 81 14.040 2.467 -2.161 1.00 0.00 C ATOM 1224 C ARG T 81 14.449 3.735 -2.902 1.00 0.00 C ATOM 1225 O ARG T 81 15.010 3.674 -3.997 1.00 0.00 O ATOM 1226 CB ARG T 81 13.407 1.473 -3.136 1.00 0.00 C ATOM 1227 CG ARG T 81 13.127 0.113 -2.519 1.00 0.00 C ATOM 1228 CD ARG T 81 14.303 -0.833 -2.696 1.00 0.00 C ATOM 1229 NE ARG T 81 15.339 -0.611 -1.691 1.00 0.00 N ATOM 1230 CZ ARG T 81 16.641 -0.668 -1.950 1.00 0.00 C ATOM 1231 NH1 ARG T 81 17.064 -0.936 -3.178 1.00 0.00 N ATOM 1232 NH2 ARG T 81 17.522 -0.455 -0.981 1.00 0.00 N ATOM 0 H ARG T 81 12.138 2.845 -1.365 1.00 0.00 H new ATOM 0 HA ARG T 81 14.933 2.019 -1.726 1.00 0.00 H new ATOM 0 HB2 ARG T 81 12.474 1.891 -3.514 1.00 0.00 H new ATOM 0 HB3 ARG T 81 14.069 1.345 -3.993 1.00 0.00 H new ATOM 0 HG2 ARG T 81 12.911 0.232 -1.457 1.00 0.00 H new ATOM 0 HG3 ARG T 81 12.238 -0.320 -2.978 1.00 0.00 H new ATOM 0 HD2 ARG T 81 13.952 -1.863 -2.634 1.00 0.00 H new ATOM 0 HD3 ARG T 81 14.728 -0.701 -3.691 1.00 0.00 H new ATOM 0 HE ARG T 81 15.047 -0.400 -0.737 1.00 0.00 H new ATOM 0 HH11 ARG T 81 16.389 -1.099 -3.926 1.00 0.00 H new ATOM 0 HH12 ARG T 81 18.064 -0.979 -3.375 1.00 0.00 H new ATOM 0 HH21 ARG T 81 17.200 -0.247 -0.036 1.00 0.00 H new ATOM 0 HH22 ARG T 81 18.521 -0.499 -1.181 1.00 0.00 H new ATOM 1246 N LEU T 82 14.165 4.886 -2.298 1.00 0.00 N ATOM 1247 CA LEU T 82 14.504 6.171 -2.900 1.00 0.00 C ATOM 1248 C LEU T 82 13.941 6.275 -4.314 1.00 0.00 C ATOM 1249 O LEU T 82 14.552 6.884 -5.192 1.00 0.00 O ATOM 1250 CB LEU T 82 16.022 6.361 -2.929 1.00 0.00 C ATOM 1251 CG LEU T 82 16.600 7.231 -1.812 1.00 0.00 C ATOM 1252 CD1 LEU T 82 16.041 8.643 -1.890 1.00 0.00 C ATOM 1253 CD2 LEU T 82 16.309 6.618 -0.451 1.00 0.00 C ATOM 0 H LEU T 82 13.701 4.954 -1.392 1.00 0.00 H new ATOM 0 HA LEU T 82 14.058 6.957 -2.291 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.494 5.380 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU T 82 16.297 6.801 -3.887 1.00 0.00 H new ATOM 0 HG LEU T 82 17.681 7.281 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU T 82 16.464 9.247 -1.087 1.00 0.00 H new ATOM 0 HD12 LEU T 82 16.301 9.085 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU T 82 14.956 8.611 -1.787 1.00 0.00 H new ATOM 0 HD21 LEU T 82 16.728 7.252 0.331 1.00 0.00 H new ATOM 0 HD22 LEU T 82 15.231 6.536 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU T 82 16.759 5.627 -0.395 1.00 0.00 H new ATOM 1265 N ASN T 83 12.774 5.677 -4.526 1.00 0.00 N ATOM 1266 CA ASN T 83 12.130 5.702 -5.833 1.00 0.00 C ATOM 1267 C ASN T 83 10.632 5.952 -5.699 1.00 0.00 C ATOM 1268 O ASN T 83 9.817 5.078 -5.996 1.00 0.00 O ATOM 1269 CB ASN T 83 12.376 4.384 -6.570 1.00 0.00 C ATOM 1270 CG ASN T 83 12.859 4.599 -7.991 1.00 0.00 C ATOM 1271 OD1 ASN T 83 12.306 4.040 -8.938 1.00 0.00 O ATOM 1272 ND2 ASN T 83 13.896 5.413 -8.147 1.00 0.00 N ATOM 0 H ASN T 83 12.255 5.169 -3.810 1.00 0.00 H new ATOM 0 HA ASN T 83 12.564 6.519 -6.408 1.00 0.00 H new ATOM 0 HB2 ASN T 83 13.114 3.797 -6.023 1.00 0.00 H new ATOM 0 HB3 ASN T 83 11.454 3.802 -6.586 1.00 0.00 H new ATOM 0 HD21 ASN T 83 14.265 5.596 -9.080 1.00 0.00 H new ATOM 0 HD22 ASN T 83 14.324 5.855 -7.334 1.00 0.00 H new ATOM 1279 N ARG T 84 10.276 7.152 -5.252 1.00 0.00 N ATOM 1280 CA ARG T 84 8.876 7.521 -5.079 1.00 0.00 C ATOM 1281 C ARG T 84 8.144 7.531 -6.417 1.00 0.00 C ATOM 1282 O ARG T 84 6.936 7.765 -6.472 1.00 0.00 O ATOM 1283 CB ARG T 84 8.772 8.896 -4.419 1.00 0.00 C ATOM 1284 CG ARG T 84 8.881 8.855 -2.904 1.00 0.00 C ATOM 1285 CD ARG T 84 10.320 9.000 -2.441 1.00 0.00 C ATOM 1286 NE ARG T 84 11.116 9.805 -3.363 1.00 0.00 N ATOM 1287 CZ ARG T 84 11.445 11.073 -3.139 1.00 0.00 C ATOM 1288 NH1 ARG T 84 11.047 11.678 -2.028 1.00 0.00 N ATOM 1289 NH2 ARG T 84 12.171 11.740 -4.026 1.00 0.00 N ATOM 0 H ARG T 84 10.939 7.886 -5.003 1.00 0.00 H new ATOM 0 HA ARG T 84 8.406 6.777 -4.436 1.00 0.00 H new ATOM 0 HB2 ARG T 84 9.558 9.539 -4.814 1.00 0.00 H new ATOM 0 HB3 ARG T 84 7.820 9.350 -4.694 1.00 0.00 H new ATOM 0 HG2 ARG T 84 8.278 9.655 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG T 84 8.473 7.914 -2.535 1.00 0.00 H new ATOM 0 HD2 ARG T 84 10.338 9.459 -1.452 1.00 0.00 H new ATOM 0 HD3 ARG T 84 10.770 8.012 -2.342 1.00 0.00 H new ATOM 0 HE ARG T 84 11.438 9.370 -4.228 1.00 0.00 H new ATOM 0 HH11 ARG T 84 10.487 11.170 -1.343 1.00 0.00 H new ATOM 0 HH12 ARG T 84 11.301 12.651 -1.858 1.00 0.00 H new ATOM 0 HH21 ARG T 84 12.478 11.280 -4.883 1.00 0.00 H new ATOM 0 HH22 ARG T 84 12.422 12.713 -3.851 1.00 0.00 H new ATOM 1303 N SER T 85 8.882 7.279 -7.494 1.00 0.00 N ATOM 1304 CA SER T 85 8.301 7.263 -8.832 1.00 0.00 C ATOM 1305 C SER T 85 8.056 5.834 -9.307 1.00 0.00 C ATOM 1306 O SER T 85 7.710 5.608 -10.467 1.00 0.00 O ATOM 1307 CB SER T 85 9.220 7.989 -9.816 1.00 0.00 C ATOM 1308 OG SER T 85 8.771 9.313 -10.054 1.00 0.00 O ATOM 0 H SER T 85 9.883 7.083 -7.466 1.00 0.00 H new ATOM 0 HA SER T 85 7.342 7.779 -8.789 1.00 0.00 H new ATOM 0 HB2 SER T 85 10.235 8.012 -9.420 1.00 0.00 H new ATOM 0 HB3 SER T 85 9.257 7.440 -10.757 1.00 0.00 H new ATOM 0 HG SER T 85 9.377 9.755 -10.685 1.00 0.00 H new ATOM 1314 N GLU T 86 8.236 4.873 -8.407 1.00 0.00 N ATOM 1315 CA GLU T 86 8.032 3.467 -8.738 1.00 0.00 C ATOM 1316 C GLU T 86 6.595 3.213 -9.178 1.00 0.00 C ATOM 1317 O GLU T 86 5.802 4.146 -9.305 1.00 0.00 O ATOM 1318 CB GLU T 86 8.374 2.586 -7.536 1.00 0.00 C ATOM 1319 CG GLU T 86 9.844 2.211 -7.457 1.00 0.00 C ATOM 1320 CD GLU T 86 10.111 0.793 -7.922 1.00 0.00 C ATOM 1321 OE1 GLU T 86 9.784 0.478 -9.085 1.00 0.00 O ATOM 1322 OE2 GLU T 86 10.647 -0.003 -7.122 1.00 0.00 O ATOM 0 H GLU T 86 8.523 5.042 -7.443 1.00 0.00 H new ATOM 0 HA GLU T 86 8.694 3.214 -9.566 1.00 0.00 H new ATOM 0 HB2 GLU T 86 8.091 3.107 -6.622 1.00 0.00 H new ATOM 0 HB3 GLU T 86 7.777 1.675 -7.582 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.425 2.904 -8.065 1.00 0.00 H new ATOM 0 HG3 GLU T 86 10.189 2.323 -6.429 1.00 0.00 H new ATOM 1329 N ARG T 87 6.264 1.946 -9.409 1.00 0.00 N ATOM 1330 CA ARG T 87 4.919 1.579 -9.833 1.00 0.00 C ATOM 1331 C ARG T 87 4.368 0.431 -8.995 1.00 0.00 C ATOM 1332 O ARG T 87 4.855 -0.697 -9.066 1.00 0.00 O ATOM 1333 CB ARG T 87 4.905 1.191 -11.307 1.00 0.00 C ATOM 1334 CG ARG T 87 5.990 0.200 -11.692 1.00 0.00 C ATOM 1335 CD ARG T 87 6.722 0.630 -12.952 1.00 0.00 C ATOM 1336 NE ARG T 87 8.036 0.002 -13.062 1.00 0.00 N ATOM 1337 CZ ARG T 87 8.582 -0.366 -14.216 1.00 0.00 C ATOM 1338 NH1 ARG T 87 7.928 -0.170 -15.353 1.00 0.00 N ATOM 1339 NH2 ARG T 87 9.782 -0.930 -14.235 1.00 0.00 N ATOM 0 H ARG T 87 6.906 1.160 -9.310 1.00 0.00 H new ATOM 0 HA ARG T 87 4.282 2.451 -9.687 1.00 0.00 H new ATOM 0 HB2 ARG T 87 3.933 0.763 -11.551 1.00 0.00 H new ATOM 0 HB3 ARG T 87 5.018 2.091 -11.911 1.00 0.00 H new ATOM 0 HG2 ARG T 87 6.702 0.103 -10.872 1.00 0.00 H new ATOM 0 HG3 ARG T 87 5.546 -0.784 -11.846 1.00 0.00 H new ATOM 0 HD2 ARG T 87 6.123 0.372 -13.825 1.00 0.00 H new ATOM 0 HD3 ARG T 87 6.837 1.714 -12.953 1.00 0.00 H new ATOM 0 HE ARG T 87 8.564 -0.163 -12.205 1.00 0.00 H new ATOM 0 HH11 ARG T 87 7.005 0.264 -15.342 1.00 0.00 H new ATOM 0 HH12 ARG T 87 8.348 -0.453 -16.238 1.00 0.00 H new ATOM 0 HH21 ARG T 87 10.288 -1.082 -13.362 1.00 0.00 H new ATOM 0 HH22 ARG T 87 10.199 -1.212 -15.122 1.00 0.00 H new ATOM 1353 N TRP T 88 3.341 0.733 -8.213 1.00 0.00 N ATOM 1354 CA TRP T 88 2.694 -0.258 -7.359 1.00 0.00 C ATOM 1355 C TRP T 88 1.232 0.114 -7.146 1.00 0.00 C ATOM 1356 O TRP T 88 0.526 0.466 -8.091 1.00 0.00 O ATOM 1357 CB TRP T 88 3.397 -0.354 -6.000 1.00 0.00 C ATOM 1358 CG TRP T 88 4.891 -0.351 -6.084 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.727 0.671 -5.737 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.729 -1.420 -6.534 1.00 0.00 C ATOM 1361 NE1 TRP T 88 7.034 0.304 -5.950 1.00 0.00 N ATOM 1362 CE2 TRP T 88 7.062 -0.976 -6.439 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.481 -2.711 -7.010 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 8.141 -1.776 -6.802 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.554 -3.505 -7.370 1.00 0.00 C ATOM 1366 CH2 TRP T 88 7.870 -3.035 -7.264 1.00 0.00 C ATOM 0 H TRP T 88 2.933 1.666 -8.151 1.00 0.00 H new ATOM 0 HA TRP T 88 2.759 -1.226 -7.855 1.00 0.00 H new ATOM 0 HB2 TRP T 88 3.077 0.482 -5.378 1.00 0.00 H new ATOM 0 HB3 TRP T 88 3.074 -1.267 -5.499 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.408 1.628 -5.351 1.00 0.00 H new ATOM 0 HE1 TRP T 88 7.851 0.889 -5.773 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.470 -3.081 -7.095 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 9.156 -1.416 -6.722 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 6.375 -4.504 -7.739 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.687 -3.680 -7.553 1.00 0.00 H new ATOM 1377 N ASP T 89 0.790 0.050 -5.896 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.581 0.396 -5.554 1.00 0.00 C ATOM 1379 C ASP T 89 -0.604 1.519 -4.528 1.00 0.00 C ATOM 1380 O ASP T 89 0.427 2.119 -4.223 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.329 -0.821 -5.010 1.00 0.00 C ATOM 1382 CG ASP T 89 -1.029 -2.080 -5.800 1.00 0.00 C ATOM 1383 OD1 ASP T 89 0.156 -2.462 -5.883 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -1.982 -2.683 -6.338 1.00 0.00 O ATOM 0 H ASP T 89 1.363 -0.239 -5.103 1.00 0.00 H new ATOM 0 HA ASP T 89 -1.081 0.734 -6.462 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -1.056 -0.976 -3.966 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.401 -0.626 -5.034 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.784 1.795 -3.997 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.944 2.846 -3.004 1.00 0.00 C ATOM 1391 C ALA T 90 -3.035 2.486 -2.005 1.00 0.00 C ATOM 1392 O ALA T 90 -4.140 2.105 -2.394 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.273 4.165 -3.685 1.00 0.00 C ATOM 0 H ALA T 90 -2.646 1.306 -4.237 1.00 0.00 H new ATOM 0 HA ALA T 90 -1.004 2.950 -2.462 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.390 4.944 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.464 4.436 -4.364 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.200 4.062 -4.248 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.728 2.612 -0.720 1.00 0.00 N ATOM 1400 CA TYR T 91 -3.694 2.301 0.320 1.00 0.00 C ATOM 1401 C TYR T 91 -4.354 3.574 0.831 1.00 0.00 C ATOM 1402 O TYR T 91 -3.729 4.370 1.526 1.00 0.00 O ATOM 1403 CB TYR T 91 -3.014 1.556 1.466 1.00 0.00 C ATOM 1404 CG TYR T 91 -2.790 0.086 1.186 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -3.836 -0.827 1.273 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -1.539 -0.385 0.815 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -3.637 -2.163 0.996 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -1.333 -1.723 0.542 1.00 0.00 C ATOM 1409 CZ TYR T 91 -2.385 -2.606 0.633 1.00 0.00 C ATOM 1410 OH TYR T 91 -2.191 -3.935 0.342 1.00 0.00 O ATOM 0 H TYR T 91 -1.821 2.926 -0.376 1.00 0.00 H new ATOM 0 HA TYR T 91 -4.467 1.659 -0.103 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -2.054 2.028 1.675 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -3.622 1.657 2.365 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -4.819 -0.484 1.562 1.00 0.00 H new ATOM 0 HD2 TYR T 91 -0.713 0.306 0.738 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -4.460 -2.859 1.064 1.00 0.00 H new ATOM 0 HE2 TYR T 91 -0.352 -2.075 0.259 1.00 0.00 H new ATOM 0 HH TYR T 91 -1.252 -4.084 0.103 1.00 0.00 H new ATOM 1420 N CYS T 92 -5.618 3.767 0.471 1.00 0.00 N ATOM 1421 CA CYS T 92 -6.353 4.953 0.892 1.00 0.00 C ATOM 1422 C CYS T 92 -6.938 4.765 2.285 1.00 0.00 C ATOM 1423 O CYS T 92 -7.574 3.752 2.575 1.00 0.00 O ATOM 1424 CB CYS T 92 -7.461 5.277 -0.109 1.00 0.00 C ATOM 1425 SG CYS T 92 -7.015 6.568 -1.316 1.00 0.00 S ATOM 0 H CYS T 92 -6.153 3.120 -0.109 1.00 0.00 H new ATOM 0 HA CYS T 92 -5.655 5.790 0.926 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -7.728 4.367 -0.647 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -8.349 5.596 0.438 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.702 5.744 3.149 1.00 0.00 N ATOM 1431 CA TYR T 93 -7.184 5.697 4.520 1.00 0.00 C ATOM 1432 C TYR T 93 -7.896 6.994 4.892 1.00 0.00 C ATOM 1433 O TYR T 93 -7.312 8.074 4.830 1.00 0.00 O ATOM 1434 CB TYR T 93 -6.002 5.453 5.459 1.00 0.00 C ATOM 1435 CG TYR T 93 -6.361 5.491 6.930 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -6.983 6.599 7.494 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -6.068 4.414 7.757 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -7.304 6.630 8.837 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -6.386 4.438 9.102 1.00 0.00 C ATOM 1440 CZ TYR T 93 -7.004 5.548 9.637 1.00 0.00 C ATOM 1441 OH TYR T 93 -7.322 5.576 10.975 1.00 0.00 O ATOM 0 H TYR T 93 -6.175 6.587 2.920 1.00 0.00 H new ATOM 0 HA TYR T 93 -7.902 4.883 4.616 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -5.563 4.482 5.228 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -5.236 6.203 5.264 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -7.219 7.450 6.872 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -5.583 3.543 7.342 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -7.788 7.498 9.259 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -6.152 3.592 9.730 1.00 0.00 H new ATOM 0 HH TYR T 93 -7.044 4.735 11.395 1.00 0.00 H new ATOM 1451 N ASN T 94 -9.159 6.875 5.283 1.00 0.00 N ATOM 1452 CA ASN T 94 -9.952 8.037 5.672 1.00 0.00 C ATOM 1453 C ASN T 94 -10.607 7.807 7.031 1.00 0.00 C ATOM 1454 O ASN T 94 -10.917 6.672 7.395 1.00 0.00 O ATOM 1455 CB ASN T 94 -11.023 8.329 4.619 1.00 0.00 C ATOM 1456 CG ASN T 94 -10.436 8.815 3.308 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -9.273 8.554 3.000 1.00 0.00 O ATOM 1458 ND2 ASN T 94 -11.241 9.524 2.528 1.00 0.00 N ATOM 0 H ASN T 94 -9.657 5.987 5.339 1.00 0.00 H new ATOM 0 HA ASN T 94 -9.286 8.897 5.745 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -11.606 7.426 4.439 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -11.711 9.081 5.005 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -10.903 9.877 1.633 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -12.198 9.716 2.823 1.00 0.00 H new