USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=16 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 HD1:sc= -6.65! C(o=-7.5!,f=-18!) USER MOD Set 1.2: T 47 CYS SG : rot 180:sc= -0.838! USER MOD Set 2.1: T 32 THR OG1 : rot 170:sc= -0.668 USER MOD Set 2.2: T 35 GLN : amide:sc= -0.795 K(o=-1.5,f=-5.6!) USER MOD Single : T 3 TYR OH : rot 180:sc= 0 USER MOD Single : T 4 HIS : no HE2:sc= -6.57! C(o=-6.6!,f=-8.4!) USER MOD Single : T 9 SER OG : rot 180:sc= 0 USER MOD Single : T 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 12 TYR OH : rot 180:sc= 0 USER MOD Single : T 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 15 THR OG1 : rot 180:sc= -0.0401 USER MOD Single : T 16 TYR OH : rot 180:sc= -0.02 USER MOD Single : T 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 29 HIS : no HD1:sc= -3.07! C(o=-3.1!,f=-5.2!) 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 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 52 MET CE :methyl -127:sc= -0.979 (180deg=-5.69!) USER MOD Single : T 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 59 TYR OH : rot 143:sc= 0.0932 USER MOD Single : T 73 THR OG1 : rot -17:sc= 0.699 USER MOD Single : T 78 TYR OH : rot 180:sc= 0 USER MOD Single : T 83 ASN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : T 85 SER OG : rot 180:sc= 0 USER MOD Single : T 91 TYR OH : rot 165:sc= -0.741 USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD Single : T 94 ASN : amide:sc= -1.77 K(o=-1.8,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 10 N VAL T 2 -8.996 2.237 6.808 1.00 0.00 N ATOM 11 CA VAL T 2 -7.976 2.112 5.775 1.00 0.00 C ATOM 12 C VAL T 2 -8.333 1.012 4.780 1.00 0.00 C ATOM 13 O VAL T 2 -8.799 -0.060 5.164 1.00 0.00 O ATOM 14 CB VAL T 2 -6.594 1.810 6.382 1.00 0.00 C ATOM 15 CG1 VAL T 2 -6.714 0.810 7.520 1.00 0.00 C ATOM 16 CG2 VAL T 2 -5.638 1.301 5.315 1.00 0.00 C ATOM 0 HA VAL T 2 -7.934 3.069 5.256 1.00 0.00 H new ATOM 0 HB VAL T 2 -6.189 2.738 6.786 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -5.726 0.611 7.935 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -7.358 1.220 8.298 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -7.144 -0.119 7.145 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -4.667 1.094 5.765 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -6.037 0.387 4.875 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -5.524 2.057 4.538 1.00 0.00 H new ATOM 26 N TYR T 3 -8.107 1.286 3.499 1.00 0.00 N ATOM 27 CA TYR T 3 -8.402 0.320 2.447 1.00 0.00 C ATOM 28 C TYR T 3 -7.364 0.398 1.332 1.00 0.00 C ATOM 29 O TYR T 3 -6.410 1.172 1.411 1.00 0.00 O ATOM 30 CB TYR T 3 -9.801 0.561 1.878 1.00 0.00 C ATOM 31 CG TYR T 3 -10.046 1.989 1.445 1.00 0.00 C ATOM 32 CD1 TYR T 3 -10.365 2.973 2.372 1.00 0.00 C ATOM 33 CD2 TYR T 3 -9.960 2.353 0.106 1.00 0.00 C ATOM 34 CE1 TYR T 3 -10.591 4.279 1.979 1.00 0.00 C ATOM 35 CE2 TYR T 3 -10.183 3.657 -0.295 1.00 0.00 C ATOM 36 CZ TYR T 3 -10.499 4.616 0.645 1.00 0.00 C ATOM 37 OH TYR T 3 -10.722 5.914 0.249 1.00 0.00 O ATOM 0 H TYR T 3 -7.721 2.169 3.165 1.00 0.00 H new ATOM 0 HA TYR T 3 -8.365 -0.678 2.884 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -9.955 -0.099 1.024 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -10.541 0.287 2.630 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -10.438 2.713 3.418 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -9.715 1.605 -0.633 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -10.838 5.032 2.713 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -10.110 3.924 -1.339 1.00 0.00 H new ATOM 0 HH TYR T 3 -10.617 5.982 -0.723 1.00 0.00 H new ATOM 47 N HIS T 4 -7.554 -0.411 0.294 1.00 0.00 N ATOM 48 CA HIS T 4 -6.632 -0.436 -0.836 1.00 0.00 C ATOM 49 C HIS T 4 -7.198 0.341 -2.020 1.00 0.00 C ATOM 50 O HIS T 4 -8.401 0.598 -2.090 1.00 0.00 O ATOM 51 CB HIS T 4 -6.340 -1.880 -1.249 1.00 0.00 C ATOM 52 CG HIS T 4 -5.662 -2.002 -2.578 1.00 0.00 C ATOM 53 ND1 HIS T 4 -6.311 -2.429 -3.718 1.00 0.00 N ATOM 54 CD2 HIS T 4 -4.383 -1.749 -2.948 1.00 0.00 C ATOM 55 CE1 HIS T 4 -5.460 -2.435 -4.729 1.00 0.00 C ATOM 56 NE2 HIS T 4 -4.285 -2.026 -4.289 1.00 0.00 N ATOM 0 H HIS T 4 -8.338 -1.058 0.212 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.703 0.041 -0.525 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -5.714 -2.346 -0.488 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -7.277 -2.437 -1.277 1.00 0.00 H new ATOM 0 HD1 HIS T 4 -7.293 -2.698 -3.772 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -3.589 -1.395 -2.307 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -5.688 -2.726 -5.744 1.00 0.00 H new ATOM 65 N ARG T 5 -6.324 0.712 -2.949 1.00 0.00 N ATOM 66 CA ARG T 5 -6.732 1.460 -4.132 1.00 0.00 C ATOM 67 C ARG T 5 -5.785 1.195 -5.298 1.00 0.00 C ATOM 68 O ARG T 5 -4.581 1.023 -5.107 1.00 0.00 O ATOM 69 CB ARG T 5 -6.770 2.957 -3.822 1.00 0.00 C ATOM 70 CG ARG T 5 -8.130 3.454 -3.362 1.00 0.00 C ATOM 71 CD ARG T 5 -8.830 4.250 -4.451 1.00 0.00 C ATOM 72 NE ARG T 5 -9.996 3.548 -4.980 1.00 0.00 N ATOM 73 CZ ARG T 5 -10.129 3.198 -6.256 1.00 0.00 C ATOM 74 NH1 ARG T 5 -9.170 3.482 -7.127 1.00 0.00 N ATOM 75 NH2 ARG T 5 -11.219 2.563 -6.662 1.00 0.00 N ATOM 0 H ARG T 5 -5.326 0.506 -2.905 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.730 1.127 -4.417 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -6.033 3.177 -3.050 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -6.474 3.511 -4.713 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -8.750 2.605 -3.074 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -8.010 4.076 -2.475 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -9.139 5.216 -4.052 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -8.129 4.450 -5.261 1.00 0.00 H new ATOM 0 HE ARG T 5 -10.750 3.313 -4.335 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -8.329 3.970 -6.818 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -9.274 3.213 -8.105 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -11.958 2.342 -5.995 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -11.319 2.296 -7.641 1.00 0.00 H new ATOM 89 N GLU T 6 -6.337 1.165 -6.508 1.00 0.00 N ATOM 90 CA GLU T 6 -5.542 0.924 -7.706 1.00 0.00 C ATOM 91 C GLU T 6 -5.557 2.147 -8.618 1.00 0.00 C ATOM 92 O GLU T 6 -6.278 3.113 -8.370 1.00 0.00 O ATOM 93 CB GLU T 6 -6.071 -0.301 -8.458 1.00 0.00 C ATOM 94 CG GLU T 6 -5.469 -0.482 -9.842 1.00 0.00 C ATOM 95 CD GLU T 6 -5.995 -1.717 -10.548 1.00 0.00 C ATOM 96 OE1 GLU T 6 -5.790 -2.832 -10.026 1.00 0.00 O ATOM 97 OE2 GLU T 6 -6.613 -1.568 -11.623 1.00 0.00 O ATOM 0 H GLU T 6 -7.332 1.305 -6.684 1.00 0.00 H new ATOM 0 HA GLU T 6 -4.513 0.733 -7.401 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -5.870 -1.194 -7.866 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -7.154 -0.218 -8.552 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -5.686 0.398 -10.447 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -4.385 -0.551 -9.757 1.00 0.00 H new ATOM 104 N ALA T 7 -4.755 2.096 -9.674 1.00 0.00 N ATOM 105 CA ALA T 7 -4.672 3.196 -10.627 1.00 0.00 C ATOM 106 C ALA T 7 -5.731 3.063 -11.716 1.00 0.00 C ATOM 107 O ALA T 7 -6.228 1.967 -11.981 1.00 0.00 O ATOM 108 CB ALA T 7 -3.283 3.256 -11.244 1.00 0.00 C ATOM 0 H ALA T 7 -4.152 1.303 -9.893 1.00 0.00 H new ATOM 0 HA ALA T 7 -4.859 4.125 -10.088 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -3.235 4.082 -11.954 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.542 3.409 -10.459 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -3.074 2.320 -11.762 1.00 0.00 H new ATOM 114 N ARG T 8 -6.071 4.183 -12.344 1.00 0.00 N ATOM 115 CA ARG T 8 -7.071 4.189 -13.406 1.00 0.00 C ATOM 116 C ARG T 8 -6.578 3.407 -14.619 1.00 0.00 C ATOM 117 O ARG T 8 -7.372 2.955 -15.443 1.00 0.00 O ATOM 118 CB ARG T 8 -7.405 5.627 -13.812 1.00 0.00 C ATOM 119 CG ARG T 8 -8.532 6.244 -12.999 1.00 0.00 C ATOM 120 CD ARG T 8 -8.012 6.937 -11.751 1.00 0.00 C ATOM 121 NE ARG T 8 -9.089 7.547 -10.975 1.00 0.00 N ATOM 122 CZ ARG T 8 -9.704 8.672 -11.327 1.00 0.00 C ATOM 123 NH1 ARG T 8 -9.351 9.305 -12.437 1.00 0.00 N ATOM 124 NH2 ARG T 8 -10.675 9.163 -10.568 1.00 0.00 N ATOM 0 H ARG T 8 -5.670 5.098 -12.137 1.00 0.00 H new ATOM 0 HA ARG T 8 -7.972 3.707 -13.027 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -6.512 6.243 -13.705 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -7.678 5.643 -14.867 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -9.074 6.962 -13.615 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -9.243 5.468 -12.715 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -7.481 6.215 -11.130 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -7.291 7.703 -12.036 1.00 0.00 H new ATOM 0 HE ARG T 8 -9.386 7.084 -10.116 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -8.606 8.929 -13.023 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -9.825 10.168 -12.705 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -10.950 8.677 -9.714 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -11.147 10.026 -10.838 1.00 0.00 H new ATOM 138 N SER T 9 -5.262 3.251 -14.719 1.00 0.00 N ATOM 139 CA SER T 9 -4.660 2.521 -15.829 1.00 0.00 C ATOM 140 C SER T 9 -4.491 1.046 -15.479 1.00 0.00 C ATOM 141 O SER T 9 -4.423 0.192 -16.364 1.00 0.00 O ATOM 142 CB SER T 9 -3.304 3.130 -16.192 1.00 0.00 C ATOM 143 OG SER T 9 -3.464 4.348 -16.897 1.00 0.00 O ATOM 0 H SER T 9 -4.592 3.620 -14.045 1.00 0.00 H new ATOM 0 HA SER T 9 -5.326 2.599 -16.688 1.00 0.00 H new ATOM 0 HB2 SER T 9 -2.726 3.305 -15.285 1.00 0.00 H new ATOM 0 HB3 SER T 9 -2.737 2.426 -16.801 1.00 0.00 H new ATOM 0 HG SER T 9 -2.583 4.718 -17.116 1.00 0.00 H new ATOM 149 N GLY T 10 -4.425 0.755 -14.184 1.00 0.00 N ATOM 150 CA GLY T 10 -4.264 -0.616 -13.739 1.00 0.00 C ATOM 151 C GLY T 10 -3.292 -0.736 -12.582 1.00 0.00 C ATOM 152 O GLY T 10 -2.572 0.211 -12.267 1.00 0.00 O ATOM 0 H GLY T 10 -4.480 1.445 -13.435 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -5.233 -1.014 -13.439 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -3.912 -1.226 -14.571 1.00 0.00 H new ATOM 156 N LYS T 11 -3.271 -1.903 -11.949 1.00 0.00 N ATOM 157 CA LYS T 11 -2.380 -2.148 -10.821 1.00 0.00 C ATOM 158 C LYS T 11 -0.922 -1.949 -11.222 1.00 0.00 C ATOM 159 O LYS T 11 -0.577 -2.021 -12.402 1.00 0.00 O ATOM 160 CB LYS T 11 -2.584 -3.566 -10.284 1.00 0.00 C ATOM 161 CG LYS T 11 -1.812 -3.844 -9.005 1.00 0.00 C ATOM 162 CD LYS T 11 -2.070 -5.251 -8.494 1.00 0.00 C ATOM 163 CE LYS T 11 -0.920 -6.187 -8.826 1.00 0.00 C ATOM 164 NZ LYS T 11 -1.382 -7.588 -9.024 1.00 0.00 N ATOM 0 H LYS T 11 -3.862 -2.696 -12.198 1.00 0.00 H new ATOM 0 HA LYS T 11 -2.622 -1.430 -10.038 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -3.646 -3.728 -10.101 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -2.279 -4.283 -11.047 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -0.745 -3.712 -9.186 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -2.098 -3.120 -8.242 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -2.218 -5.225 -7.414 1.00 0.00 H new ATOM 0 HD3 LYS T 11 -2.991 -5.635 -8.933 1.00 0.00 H new ATOM 0 HE2 LYS T 11 -0.419 -5.839 -9.729 1.00 0.00 H new ATOM 0 HE3 LYS T 11 -0.185 -6.158 -8.022 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 -0.567 -8.194 -9.249 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -1.838 -7.929 -8.154 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 -2.064 -7.621 -9.808 1.00 0.00 H new ATOM 178 N TYR T 12 -0.070 -1.699 -10.232 1.00 0.00 N ATOM 179 CA TYR T 12 1.352 -1.489 -10.477 1.00 0.00 C ATOM 180 C TYR T 12 1.573 -0.338 -11.453 1.00 0.00 C ATOM 181 O TYR T 12 2.217 -0.503 -12.489 1.00 0.00 O ATOM 182 CB TYR T 12 1.991 -2.768 -11.023 1.00 0.00 C ATOM 183 CG TYR T 12 2.211 -3.836 -9.974 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.787 -3.650 -8.663 1.00 0.00 C ATOM 185 CD2 TYR T 12 2.842 -5.031 -10.295 1.00 0.00 C ATOM 186 CE1 TYR T 12 1.988 -4.624 -7.703 1.00 0.00 C ATOM 187 CE2 TYR T 12 3.045 -6.010 -9.341 1.00 0.00 C ATOM 188 CZ TYR T 12 2.617 -5.802 -8.048 1.00 0.00 C ATOM 189 OH TYR T 12 2.817 -6.774 -7.095 1.00 0.00 O ATOM 0 H TYR T 12 -0.341 -1.637 -9.251 1.00 0.00 H new ATOM 0 HA TYR T 12 1.824 -1.232 -9.529 1.00 0.00 H new ATOM 0 HB2 TYR T 12 1.357 -3.172 -11.812 1.00 0.00 H new ATOM 0 HB3 TYR T 12 2.948 -2.518 -11.480 1.00 0.00 H new ATOM 0 HD1 TYR T 12 1.292 -2.729 -8.390 1.00 0.00 H new ATOM 0 HD2 TYR T 12 3.180 -5.198 -11.307 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.654 -4.463 -6.688 1.00 0.00 H new ATOM 0 HE2 TYR T 12 3.537 -6.934 -9.608 1.00 0.00 H new ATOM 0 HH TYR T 12 3.272 -7.541 -7.501 1.00 0.00 H new ATOM 199 N LYS T 13 1.034 0.829 -11.113 1.00 0.00 N ATOM 200 CA LYS T 13 1.170 2.011 -11.957 1.00 0.00 C ATOM 201 C LYS T 13 1.080 3.285 -11.125 1.00 0.00 C ATOM 202 O LYS T 13 1.131 4.393 -11.661 1.00 0.00 O ATOM 203 CB LYS T 13 0.091 2.017 -13.040 1.00 0.00 C ATOM 204 CG LYS T 13 0.425 1.146 -14.241 1.00 0.00 C ATOM 205 CD LYS T 13 -0.177 1.705 -15.520 1.00 0.00 C ATOM 206 CE LYS T 13 -0.777 0.606 -16.380 1.00 0.00 C ATOM 207 NZ LYS T 13 -0.584 0.867 -17.833 1.00 0.00 N ATOM 0 H LYS T 13 0.499 0.981 -10.258 1.00 0.00 H new ATOM 0 HA LYS T 13 2.150 1.977 -12.432 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -0.849 1.677 -12.606 1.00 0.00 H new ATOM 0 HB3 LYS T 13 -0.066 3.041 -13.378 1.00 0.00 H new ATOM 0 HG2 LYS T 13 1.507 1.073 -14.349 1.00 0.00 H new ATOM 0 HG3 LYS T 13 0.052 0.135 -14.074 1.00 0.00 H new ATOM 0 HD2 LYS T 13 -0.947 2.435 -15.272 1.00 0.00 H new ATOM 0 HD3 LYS T 13 0.592 2.232 -16.085 1.00 0.00 H new ATOM 0 HE2 LYS T 13 -0.320 -0.349 -16.119 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -1.842 0.519 -16.166 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -1.008 0.093 -18.384 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 -1.042 1.765 -18.088 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 0.433 0.925 -18.043 1.00 0.00 H new ATOM 221 N LEU T 14 0.941 3.122 -9.813 1.00 0.00 N ATOM 222 CA LEU T 14 0.840 4.259 -8.907 1.00 0.00 C ATOM 223 C LEU T 14 2.153 4.491 -8.171 1.00 0.00 C ATOM 224 O LEU T 14 2.789 3.550 -7.698 1.00 0.00 O ATOM 225 CB LEU T 14 -0.285 4.028 -7.898 1.00 0.00 C ATOM 226 CG LEU T 14 -1.679 4.446 -8.370 1.00 0.00 C ATOM 227 CD1 LEU T 14 -2.747 3.628 -7.662 1.00 0.00 C ATOM 228 CD2 LEU T 14 -1.896 5.933 -8.137 1.00 0.00 C ATOM 0 H LEU T 14 0.896 2.212 -9.354 1.00 0.00 H new ATOM 0 HA LEU T 14 0.617 5.146 -9.501 1.00 0.00 H new ATOM 0 HB2 LEU T 14 -0.308 2.969 -7.640 1.00 0.00 H new ATOM 0 HB3 LEU T 14 -0.050 4.573 -6.984 1.00 0.00 H new ATOM 0 HG LEU T 14 -1.755 4.254 -9.440 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -3.733 3.938 -8.009 1.00 0.00 H new ATOM 0 HD12 LEU T 14 -2.601 2.570 -7.882 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -2.674 3.788 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -2.892 6.213 -8.478 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -1.802 6.152 -7.073 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -1.149 6.501 -8.692 1.00 0.00 H new ATOM 240 N THR T 15 2.545 5.755 -8.072 1.00 0.00 N ATOM 241 CA THR T 15 3.774 6.125 -7.386 1.00 0.00 C ATOM 242 C THR T 15 3.454 6.800 -6.059 1.00 0.00 C ATOM 243 O THR T 15 2.393 7.398 -5.907 1.00 0.00 O ATOM 244 CB THR T 15 4.633 7.075 -8.241 1.00 0.00 C ATOM 245 OG1 THR T 15 4.235 8.433 -8.016 1.00 0.00 O ATOM 246 CG2 THR T 15 4.499 6.743 -9.720 1.00 0.00 C ATOM 0 H THR T 15 2.027 6.543 -8.460 1.00 0.00 H new ATOM 0 HA THR T 15 4.338 5.209 -7.210 1.00 0.00 H new ATOM 0 HB THR T 15 5.675 6.948 -7.948 1.00 0.00 H new ATOM 0 HG1 THR T 15 4.787 9.031 -8.562 1.00 0.00 H new ATOM 0 HG21 THR T 15 5.115 7.427 -10.304 1.00 0.00 H new ATOM 0 HG22 THR T 15 4.829 5.719 -9.894 1.00 0.00 H new ATOM 0 HG23 THR T 15 3.457 6.845 -10.023 1.00 0.00 H new ATOM 254 N TYR T 16 4.366 6.699 -5.100 1.00 0.00 N ATOM 255 CA TYR T 16 4.151 7.306 -3.791 1.00 0.00 C ATOM 256 C TYR T 16 3.420 8.636 -3.926 1.00 0.00 C ATOM 257 O TYR T 16 2.498 8.931 -3.165 1.00 0.00 O ATOM 258 CB TYR T 16 5.479 7.518 -3.068 1.00 0.00 C ATOM 259 CG TYR T 16 5.338 8.275 -1.767 1.00 0.00 C ATOM 260 CD1 TYR T 16 4.730 7.689 -0.663 1.00 0.00 C ATOM 261 CD2 TYR T 16 5.808 9.576 -1.646 1.00 0.00 C ATOM 262 CE1 TYR T 16 4.595 8.380 0.526 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.676 10.274 -0.460 1.00 0.00 C ATOM 264 CZ TYR T 16 5.069 9.672 0.622 1.00 0.00 C ATOM 265 OH TYR T 16 4.937 10.364 1.804 1.00 0.00 O ATOM 0 H TYR T 16 5.254 6.207 -5.201 1.00 0.00 H new ATOM 0 HA TYR T 16 3.536 6.624 -3.204 1.00 0.00 H new ATOM 0 HB2 TYR T 16 5.935 6.548 -2.868 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.159 8.061 -3.724 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.357 6.678 -0.736 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.284 10.050 -2.492 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.121 7.911 1.376 1.00 0.00 H new ATOM 0 HE2 TYR T 16 6.046 11.285 -0.381 1.00 0.00 H new ATOM 0 HH TYR T 16 5.324 11.259 1.704 1.00 0.00 H new ATOM 275 N ALA T 17 3.838 9.437 -4.900 1.00 0.00 N ATOM 276 CA ALA T 17 3.224 10.738 -5.135 1.00 0.00 C ATOM 277 C ALA T 17 1.831 10.593 -5.739 1.00 0.00 C ATOM 278 O ALA T 17 0.910 11.321 -5.372 1.00 0.00 O ATOM 279 CB ALA T 17 4.112 11.585 -6.033 1.00 0.00 C ATOM 0 H ALA T 17 4.599 9.208 -5.539 1.00 0.00 H new ATOM 0 HA ALA T 17 3.117 11.240 -4.173 1.00 0.00 H new ATOM 0 HB1 ALA T 17 3.642 12.554 -6.200 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.081 11.730 -5.555 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.251 11.079 -6.989 1.00 0.00 H new ATOM 285 N GLU T 18 1.675 9.643 -6.659 1.00 0.00 N ATOM 286 CA GLU T 18 0.388 9.406 -7.294 1.00 0.00 C ATOM 287 C GLU T 18 -0.575 8.787 -6.292 1.00 0.00 C ATOM 288 O GLU T 18 -1.715 9.230 -6.147 1.00 0.00 O ATOM 289 CB GLU T 18 0.560 8.483 -8.500 1.00 0.00 C ATOM 290 CG GLU T 18 1.366 9.104 -9.628 1.00 0.00 C ATOM 291 CD GLU T 18 1.449 8.209 -10.848 1.00 0.00 C ATOM 292 OE1 GLU T 18 1.578 6.978 -10.673 1.00 0.00 O ATOM 293 OE2 GLU T 18 1.384 8.737 -11.978 1.00 0.00 O ATOM 0 H GLU T 18 2.424 9.028 -6.978 1.00 0.00 H new ATOM 0 HA GLU T 18 -0.020 10.357 -7.637 1.00 0.00 H new ATOM 0 HB2 GLU T 18 1.050 7.564 -8.177 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.424 8.204 -8.878 1.00 0.00 H new ATOM 0 HG2 GLU T 18 0.915 10.055 -9.910 1.00 0.00 H new ATOM 0 HG3 GLU T 18 2.373 9.321 -9.273 1.00 0.00 H new ATOM 300 N ALA T 19 -0.094 7.767 -5.592 1.00 0.00 N ATOM 301 CA ALA T 19 -0.883 7.081 -4.585 1.00 0.00 C ATOM 302 C ALA T 19 -1.394 8.068 -3.541 1.00 0.00 C ATOM 303 O ALA T 19 -2.571 8.054 -3.176 1.00 0.00 O ATOM 304 CB ALA T 19 -0.044 6.000 -3.925 1.00 0.00 C ATOM 0 H ALA T 19 0.849 7.396 -5.708 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.745 6.619 -5.067 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.640 5.487 -3.170 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.283 5.283 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA T 19 0.828 6.453 -3.453 1.00 0.00 H new ATOM 310 N LYS T 20 -0.495 8.929 -3.072 1.00 0.00 N ATOM 311 CA LYS T 20 -0.839 9.934 -2.075 1.00 0.00 C ATOM 312 C LYS T 20 -1.812 10.952 -2.653 1.00 0.00 C ATOM 313 O LYS T 20 -2.625 11.529 -1.931 1.00 0.00 O ATOM 314 CB LYS T 20 0.428 10.641 -1.591 1.00 0.00 C ATOM 315 CG LYS T 20 0.270 11.322 -0.241 1.00 0.00 C ATOM 316 CD LYS T 20 0.374 12.833 -0.360 1.00 0.00 C ATOM 317 CE LYS T 20 1.773 13.326 -0.027 1.00 0.00 C ATOM 318 NZ LYS T 20 1.853 14.812 -0.017 1.00 0.00 N ATOM 0 H LYS T 20 0.481 8.949 -3.369 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.319 9.437 -1.232 1.00 0.00 H new ATOM 0 HB2 LYS T 20 1.238 9.914 -1.529 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.724 11.385 -2.331 1.00 0.00 H new ATOM 0 HG2 LYS T 20 -0.695 11.056 0.190 1.00 0.00 H new ATOM 0 HG3 LYS T 20 1.036 10.957 0.443 1.00 0.00 H new ATOM 0 HD2 LYS T 20 0.112 13.138 -1.373 1.00 0.00 H new ATOM 0 HD3 LYS T 20 -0.347 13.302 0.310 1.00 0.00 H new ATOM 0 HE2 LYS T 20 2.071 12.940 0.948 1.00 0.00 H new ATOM 0 HE3 LYS T 20 2.480 12.930 -0.756 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 2.823 15.106 0.214 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 1.594 15.180 -0.955 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 1.198 15.190 0.696 1.00 0.00 H new ATOM 332 N ALA T 21 -1.720 11.169 -3.959 1.00 0.00 N ATOM 333 CA ALA T 21 -2.591 12.121 -4.639 1.00 0.00 C ATOM 334 C ALA T 21 -4.042 11.660 -4.604 1.00 0.00 C ATOM 335 O ALA T 21 -4.955 12.464 -4.424 1.00 0.00 O ATOM 336 CB ALA T 21 -2.134 12.323 -6.076 1.00 0.00 C ATOM 0 H ALA T 21 -1.051 10.699 -4.569 1.00 0.00 H new ATOM 0 HA ALA T 21 -2.527 13.073 -4.112 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -2.794 13.036 -6.571 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -1.114 12.707 -6.083 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -2.167 11.371 -6.605 1.00 0.00 H new ATOM 342 N VAL T 22 -4.248 10.359 -4.776 1.00 0.00 N ATOM 343 CA VAL T 22 -5.590 9.789 -4.765 1.00 0.00 C ATOM 344 C VAL T 22 -6.211 9.875 -3.377 1.00 0.00 C ATOM 345 O VAL T 22 -7.322 10.377 -3.213 1.00 0.00 O ATOM 346 CB VAL T 22 -5.580 8.318 -5.223 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.801 7.581 -4.695 1.00 0.00 C ATOM 348 CG2 VAL T 22 -5.511 8.232 -6.740 1.00 0.00 C ATOM 0 H VAL T 22 -3.502 9.679 -4.925 1.00 0.00 H new ATOM 0 HA VAL T 22 -6.188 10.374 -5.464 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.692 7.837 -4.813 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.773 6.544 -5.030 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.800 7.610 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.705 8.060 -5.070 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -5.505 7.186 -7.045 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -6.378 8.731 -7.173 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.600 8.718 -7.091 1.00 0.00 H new ATOM 358 N CYS T 23 -5.485 9.385 -2.383 1.00 0.00 N ATOM 359 CA CYS T 23 -5.962 9.409 -1.009 1.00 0.00 C ATOM 360 C CYS T 23 -6.118 10.845 -0.522 1.00 0.00 C ATOM 361 O CYS T 23 -7.155 11.217 0.027 1.00 0.00 O ATOM 362 CB CYS T 23 -4.998 8.643 -0.106 1.00 0.00 C ATOM 363 SG CYS T 23 -4.934 6.854 -0.446 1.00 0.00 S ATOM 0 H CYS T 23 -4.563 8.966 -2.503 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.938 8.926 -0.971 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -3.998 9.061 -0.221 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -5.290 8.795 0.933 1.00 0.00 H new ATOM 368 N GLU T 24 -5.083 11.651 -0.736 1.00 0.00 N ATOM 369 CA GLU T 24 -5.108 13.051 -0.328 1.00 0.00 C ATOM 370 C GLU T 24 -6.081 13.843 -1.194 1.00 0.00 C ATOM 371 O GLU T 24 -6.483 14.952 -0.843 1.00 0.00 O ATOM 372 CB GLU T 24 -3.707 13.660 -0.421 1.00 0.00 C ATOM 373 CG GLU T 24 -3.633 15.100 0.060 1.00 0.00 C ATOM 374 CD GLU T 24 -2.212 15.630 0.096 1.00 0.00 C ATOM 375 OE1 GLU T 24 -1.685 15.988 -0.977 1.00 0.00 O ATOM 376 OE2 GLU T 24 -1.628 15.686 1.199 1.00 0.00 O ATOM 0 H GLU T 24 -4.217 11.359 -1.189 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.444 13.099 0.708 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -3.017 13.054 0.167 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -3.369 13.614 -1.456 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -4.235 15.730 -0.595 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -4.068 15.169 1.057 1.00 0.00 H new ATOM 383 N PHE T 25 -6.457 13.261 -2.329 1.00 0.00 N ATOM 384 CA PHE T 25 -7.385 13.902 -3.252 1.00 0.00 C ATOM 385 C PHE T 25 -8.667 14.307 -2.536 1.00 0.00 C ATOM 386 O PHE T 25 -9.130 15.442 -2.659 1.00 0.00 O ATOM 387 CB PHE T 25 -7.712 12.960 -4.412 1.00 0.00 C ATOM 388 CG PHE T 25 -7.709 13.634 -5.753 1.00 0.00 C ATOM 389 CD1 PHE T 25 -6.516 14.001 -6.355 1.00 0.00 C ATOM 390 CD2 PHE T 25 -8.897 13.899 -6.413 1.00 0.00 C ATOM 391 CE1 PHE T 25 -6.508 14.618 -7.590 1.00 0.00 C ATOM 392 CE2 PHE T 25 -8.897 14.517 -7.649 1.00 0.00 C ATOM 393 CZ PHE T 25 -7.700 14.877 -8.239 1.00 0.00 C ATOM 0 H PHE T 25 -6.131 12.343 -2.631 1.00 0.00 H new ATOM 0 HA PHE T 25 -6.909 14.800 -3.645 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -6.988 12.145 -4.423 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -8.692 12.514 -4.241 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -5.581 13.802 -5.852 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -9.835 13.619 -5.956 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -5.571 14.898 -8.048 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -9.831 14.718 -8.153 1.00 0.00 H new ATOM 0 HZ PHE T 25 -7.696 15.360 -9.205 1.00 0.00 H new ATOM 403 N GLU T 26 -9.233 13.369 -1.789 1.00 0.00 N ATOM 404 CA GLU T 26 -10.465 13.618 -1.049 1.00 0.00 C ATOM 405 C GLU T 26 -10.176 13.816 0.435 1.00 0.00 C ATOM 406 O GLU T 26 -10.789 13.178 1.290 1.00 0.00 O ATOM 407 CB GLU T 26 -11.439 12.460 -1.247 1.00 0.00 C ATOM 408 CG GLU T 26 -11.638 12.087 -2.706 1.00 0.00 C ATOM 409 CD GLU T 26 -12.699 11.022 -2.897 1.00 0.00 C ATOM 410 OE1 GLU T 26 -13.897 11.371 -2.903 1.00 0.00 O ATOM 411 OE2 GLU T 26 -12.330 9.836 -3.041 1.00 0.00 O ATOM 0 H GLU T 26 -8.859 12.427 -1.679 1.00 0.00 H new ATOM 0 HA GLU T 26 -10.918 14.532 -1.433 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -11.073 11.589 -0.703 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.402 12.726 -0.812 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -11.917 12.977 -3.270 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.694 11.731 -3.118 1.00 0.00 H new ATOM 418 N GLY T 27 -9.241 14.713 0.726 1.00 0.00 N ATOM 419 CA GLY T 27 -8.880 14.996 2.101 1.00 0.00 C ATOM 420 C GLY T 27 -8.586 13.736 2.891 1.00 0.00 C ATOM 421 O GLY T 27 -8.947 13.630 4.063 1.00 0.00 O ATOM 0 H GLY T 27 -8.725 15.251 0.030 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -8.004 15.645 2.118 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -9.691 15.542 2.582 1.00 0.00 H new ATOM 425 N GLY T 28 -7.927 12.780 2.248 1.00 0.00 N ATOM 426 CA GLY T 28 -7.592 11.532 2.912 1.00 0.00 C ATOM 427 C GLY T 28 -6.093 11.326 2.992 1.00 0.00 C ATOM 428 O GLY T 28 -5.323 12.094 2.416 1.00 0.00 O ATOM 0 H GLY T 28 -7.618 12.845 1.278 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -8.014 11.530 3.917 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -8.046 10.700 2.374 1.00 0.00 H new ATOM 432 N HIS T 29 -5.675 10.288 3.710 1.00 0.00 N ATOM 433 CA HIS T 29 -4.264 9.986 3.867 1.00 0.00 C ATOM 434 C HIS T 29 -3.969 8.558 3.433 1.00 0.00 C ATOM 435 O HIS T 29 -4.739 7.643 3.719 1.00 0.00 O ATOM 436 CB HIS T 29 -3.847 10.177 5.324 1.00 0.00 C ATOM 437 CG HIS T 29 -4.999 10.406 6.253 1.00 0.00 C ATOM 438 ND1 HIS T 29 -6.010 11.309 5.996 1.00 0.00 N ATOM 439 CD2 HIS T 29 -5.295 9.844 7.448 1.00 0.00 C ATOM 440 CE1 HIS T 29 -6.876 11.293 6.993 1.00 0.00 C ATOM 441 NE2 HIS T 29 -6.466 10.413 7.886 1.00 0.00 N ATOM 0 H HIS T 29 -6.300 9.642 4.193 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.695 10.668 3.236 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -3.295 9.297 5.653 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -3.164 11.024 5.390 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -4.718 9.089 7.961 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -7.768 11.898 7.065 1.00 0.00 H new ATOM 0 HE2 HIS T 29 -6.942 10.191 8.761 1.00 0.00 H new ATOM 450 N LEU T 30 -2.849 8.368 2.746 1.00 0.00 N ATOM 451 CA LEU T 30 -2.470 7.039 2.290 1.00 0.00 C ATOM 452 C LEU T 30 -1.960 6.208 3.458 1.00 0.00 C ATOM 453 O LEU T 30 -1.064 6.625 4.192 1.00 0.00 O ATOM 454 CB LEU T 30 -1.421 7.121 1.177 1.00 0.00 C ATOM 455 CG LEU T 30 -0.040 6.558 1.526 1.00 0.00 C ATOM 456 CD1 LEU T 30 0.109 5.144 0.989 1.00 0.00 C ATOM 457 CD2 LEU T 30 1.058 7.458 0.975 1.00 0.00 C ATOM 0 H LEU T 30 -2.195 9.109 2.495 1.00 0.00 H new ATOM 0 HA LEU T 30 -3.353 6.550 1.878 1.00 0.00 H new ATOM 0 HB2 LEU T 30 -1.801 6.589 0.305 1.00 0.00 H new ATOM 0 HB3 LEU T 30 -1.305 8.166 0.888 1.00 0.00 H new ATOM 0 HG LEU T 30 0.055 6.526 2.611 1.00 0.00 H new ATOM 0 HD11 LEU T 30 1.096 4.759 1.246 1.00 0.00 H new ATOM 0 HD12 LEU T 30 -0.656 4.505 1.430 1.00 0.00 H new ATOM 0 HD13 LEU T 30 -0.006 5.152 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU T 30 2.032 7.043 1.232 1.00 0.00 H new ATOM 0 HD22 LEU T 30 0.966 7.522 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU T 30 0.963 8.454 1.407 1.00 0.00 H new ATOM 469 N ALA T 31 -2.555 5.036 3.635 1.00 0.00 N ATOM 470 CA ALA T 31 -2.184 4.143 4.726 1.00 0.00 C ATOM 471 C ALA T 31 -0.674 3.944 4.795 1.00 0.00 C ATOM 472 O ALA T 31 0.031 4.106 3.798 1.00 0.00 O ATOM 473 CB ALA T 31 -2.887 2.805 4.575 1.00 0.00 C ATOM 0 H ALA T 31 -3.299 4.680 3.035 1.00 0.00 H new ATOM 0 HA ALA T 31 -2.502 4.607 5.660 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.600 2.149 5.397 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -3.966 2.957 4.592 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -2.600 2.348 3.628 1.00 0.00 H new ATOM 479 N THR T 32 -0.183 3.591 5.980 1.00 0.00 N ATOM 480 CA THR T 32 1.243 3.368 6.183 1.00 0.00 C ATOM 481 C THR T 32 1.541 1.894 6.417 1.00 0.00 C ATOM 482 O THR T 32 0.707 1.029 6.149 1.00 0.00 O ATOM 483 CB THR T 32 1.774 4.168 7.385 1.00 0.00 C ATOM 484 OG1 THR T 32 1.283 3.599 8.607 1.00 0.00 O ATOM 485 CG2 THR T 32 1.358 5.626 7.292 1.00 0.00 C ATOM 0 H THR T 32 -0.754 3.453 6.814 1.00 0.00 H new ATOM 0 HA THR T 32 1.742 3.705 5.275 1.00 0.00 H new ATOM 0 HB THR T 32 2.863 4.119 7.375 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.748 4.007 9.368 1.00 0.00 H new ATOM 0 HG21 THR T 32 1.745 6.171 8.153 1.00 0.00 H new ATOM 0 HG22 THR T 32 1.759 6.061 6.377 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.270 5.694 7.279 1.00 0.00 H new ATOM 493 N TYR T 33 2.734 1.620 6.931 1.00 0.00 N ATOM 494 CA TYR T 33 3.146 0.252 7.220 1.00 0.00 C ATOM 495 C TYR T 33 2.444 -0.252 8.470 1.00 0.00 C ATOM 496 O TYR T 33 1.539 -1.085 8.399 1.00 0.00 O ATOM 497 CB TYR T 33 4.662 0.185 7.415 1.00 0.00 C ATOM 498 CG TYR T 33 5.147 -1.076 8.097 1.00 0.00 C ATOM 499 CD1 TYR T 33 5.052 -2.314 7.469 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.701 -1.028 9.370 1.00 0.00 C ATOM 501 CE1 TYR T 33 5.495 -3.465 8.093 1.00 0.00 C ATOM 502 CE2 TYR T 33 6.147 -2.175 9.999 1.00 0.00 C ATOM 503 CZ TYR T 33 6.041 -3.390 9.357 1.00 0.00 C ATOM 504 OH TYR T 33 6.483 -4.534 9.980 1.00 0.00 O ATOM 0 H TYR T 33 3.433 2.327 7.156 1.00 0.00 H new ATOM 0 HA TYR T 33 2.870 -0.380 6.376 1.00 0.00 H new ATOM 0 HB2 TYR T 33 5.146 0.267 6.442 1.00 0.00 H new ATOM 0 HB3 TYR T 33 4.980 1.047 8.002 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.626 -2.377 6.479 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.785 -0.078 9.877 1.00 0.00 H new ATOM 0 HE1 TYR T 33 5.414 -4.419 7.593 1.00 0.00 H new ATOM 0 HE2 TYR T 33 6.576 -2.120 10.988 1.00 0.00 H new ATOM 0 HH TYR T 33 6.841 -4.308 10.864 1.00 0.00 H new ATOM 514 N LYS T 34 2.872 0.265 9.612 1.00 0.00 N ATOM 515 CA LYS T 34 2.292 -0.117 10.892 1.00 0.00 C ATOM 516 C LYS T 34 0.769 -0.081 10.832 1.00 0.00 C ATOM 517 O LYS T 34 0.097 -0.969 11.356 1.00 0.00 O ATOM 518 CB LYS T 34 2.792 0.813 12.001 1.00 0.00 C ATOM 519 CG LYS T 34 4.134 0.414 12.590 1.00 0.00 C ATOM 520 CD LYS T 34 4.010 0.049 14.060 1.00 0.00 C ATOM 521 CE LYS T 34 5.067 0.747 14.901 1.00 0.00 C ATOM 522 NZ LYS T 34 5.178 0.151 16.260 1.00 0.00 N ATOM 0 H LYS T 34 3.622 0.953 9.679 1.00 0.00 H new ATOM 0 HA LYS T 34 2.605 -1.137 11.114 1.00 0.00 H new ATOM 0 HB2 LYS T 34 2.869 1.825 11.604 1.00 0.00 H new ATOM 0 HB3 LYS T 34 2.051 0.839 12.800 1.00 0.00 H new ATOM 0 HG2 LYS T 34 4.538 -0.433 12.036 1.00 0.00 H new ATOM 0 HG3 LYS T 34 4.841 1.236 12.476 1.00 0.00 H new ATOM 0 HD2 LYS T 34 3.018 0.322 14.421 1.00 0.00 H new ATOM 0 HD3 LYS T 34 4.106 -1.030 14.177 1.00 0.00 H new ATOM 0 HE2 LYS T 34 6.032 0.684 14.397 1.00 0.00 H new ATOM 0 HE3 LYS T 34 4.821 1.805 14.988 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 5.909 0.655 16.801 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 4.265 0.234 16.751 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 5.438 -0.853 16.179 1.00 0.00 H new ATOM 536 N GLN T 35 0.227 0.949 10.186 1.00 0.00 N ATOM 537 CA GLN T 35 -1.214 1.091 10.057 1.00 0.00 C ATOM 538 C GLN T 35 -1.796 -0.062 9.250 1.00 0.00 C ATOM 539 O GLN T 35 -2.778 -0.685 9.658 1.00 0.00 O ATOM 540 CB GLN T 35 -1.553 2.424 9.392 1.00 0.00 C ATOM 541 CG GLN T 35 -1.161 3.635 10.223 1.00 0.00 C ATOM 542 CD GLN T 35 -1.418 4.944 9.505 1.00 0.00 C ATOM 543 OE1 GLN T 35 -1.621 4.971 8.291 1.00 0.00 O ATOM 544 NE2 GLN T 35 -1.408 6.042 10.253 1.00 0.00 N ATOM 0 H GLN T 35 0.766 1.694 9.746 1.00 0.00 H new ATOM 0 HA GLN T 35 -1.654 1.071 11.054 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.049 2.478 8.427 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -2.624 2.460 9.195 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -1.718 3.624 11.160 1.00 0.00 H new ATOM 0 HG3 GLN T 35 -0.104 3.568 10.480 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -1.236 5.974 11.256 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -1.573 6.953 9.824 1.00 0.00 H new ATOM 553 N LEU T 36 -1.175 -0.353 8.114 1.00 0.00 N ATOM 554 CA LEU T 36 -1.622 -1.441 7.266 1.00 0.00 C ATOM 555 C LEU T 36 -1.682 -2.726 8.075 1.00 0.00 C ATOM 556 O LEU T 36 -2.616 -3.516 7.947 1.00 0.00 O ATOM 557 CB LEU T 36 -0.670 -1.601 6.087 1.00 0.00 C ATOM 558 CG LEU T 36 -1.275 -2.241 4.835 1.00 0.00 C ATOM 559 CD1 LEU T 36 -1.761 -3.650 5.134 1.00 0.00 C ATOM 560 CD2 LEU T 36 -2.412 -1.386 4.301 1.00 0.00 C ATOM 0 H LEU T 36 -0.361 0.151 7.762 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.618 -1.218 6.883 1.00 0.00 H new ATOM 0 HB2 LEU T 36 -0.281 -0.618 5.820 1.00 0.00 H new ATOM 0 HB3 LEU T 36 0.180 -2.204 6.408 1.00 0.00 H new ATOM 0 HG LEU T 36 -0.500 -2.303 4.071 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -2.187 -4.087 4.231 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -0.923 -4.260 5.472 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -2.521 -3.615 5.914 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -2.832 -1.854 3.411 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -3.187 -1.294 5.062 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -2.034 -0.396 4.046 1.00 0.00 H new ATOM 572 N GLU T 37 -0.678 -2.912 8.922 1.00 0.00 N ATOM 573 CA GLU T 37 -0.606 -4.087 9.777 1.00 0.00 C ATOM 574 C GLU T 37 -1.887 -4.227 10.586 1.00 0.00 C ATOM 575 O GLU T 37 -2.604 -5.221 10.474 1.00 0.00 O ATOM 576 CB GLU T 37 0.588 -3.979 10.724 1.00 0.00 C ATOM 577 CG GLU T 37 0.798 -5.219 11.576 1.00 0.00 C ATOM 578 CD GLU T 37 1.726 -6.226 10.924 1.00 0.00 C ATOM 579 OE1 GLU T 37 1.718 -6.321 9.678 1.00 0.00 O ATOM 580 OE2 GLU T 37 2.461 -6.918 11.659 1.00 0.00 O ATOM 0 H GLU T 37 0.099 -2.261 9.035 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.483 -4.967 9.146 1.00 0.00 H new ATOM 0 HB2 GLU T 37 1.489 -3.792 10.140 1.00 0.00 H new ATOM 0 HB3 GLU T 37 0.447 -3.118 11.378 1.00 0.00 H new ATOM 0 HG2 GLU T 37 1.208 -4.926 12.542 1.00 0.00 H new ATOM 0 HG3 GLU T 37 -0.166 -5.690 11.768 1.00 0.00 H new ATOM 587 N ALA T 38 -2.163 -3.217 11.397 1.00 0.00 N ATOM 588 CA ALA T 38 -3.354 -3.208 12.231 1.00 0.00 C ATOM 589 C ALA T 38 -4.611 -3.389 11.388 1.00 0.00 C ATOM 590 O ALA T 38 -5.668 -3.757 11.901 1.00 0.00 O ATOM 591 CB ALA T 38 -3.431 -1.917 13.033 1.00 0.00 C ATOM 0 H ALA T 38 -1.575 -2.389 11.495 1.00 0.00 H new ATOM 0 HA ALA T 38 -3.289 -4.046 12.925 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -4.328 -1.926 13.652 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -2.551 -1.832 13.671 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -3.469 -1.067 12.352 1.00 0.00 H new ATOM 597 N ALA T 39 -4.482 -3.142 10.089 1.00 0.00 N ATOM 598 CA ALA T 39 -5.602 -3.293 9.168 1.00 0.00 C ATOM 599 C ALA T 39 -5.611 -4.700 8.597 1.00 0.00 C ATOM 600 O ALA T 39 -6.660 -5.254 8.272 1.00 0.00 O ATOM 601 CB ALA T 39 -5.510 -2.267 8.051 1.00 0.00 C ATOM 0 H ALA T 39 -3.613 -2.836 9.650 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.533 -3.126 9.710 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.353 -2.392 7.371 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -5.533 -1.263 8.476 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -4.578 -2.408 7.503 1.00 0.00 H new ATOM 607 N ARG T 40 -4.424 -5.272 8.494 1.00 0.00 N ATOM 608 CA ARG T 40 -4.252 -6.617 7.985 1.00 0.00 C ATOM 609 C ARG T 40 -4.773 -7.625 8.994 1.00 0.00 C ATOM 610 O ARG T 40 -5.293 -8.680 8.631 1.00 0.00 O ATOM 611 CB ARG T 40 -2.772 -6.865 7.718 1.00 0.00 C ATOM 612 CG ARG T 40 -2.426 -8.330 7.502 1.00 0.00 C ATOM 613 CD ARG T 40 -1.808 -8.952 8.745 1.00 0.00 C ATOM 614 NE ARG T 40 -0.359 -8.777 8.788 1.00 0.00 N ATOM 615 CZ ARG T 40 0.408 -9.235 9.771 1.00 0.00 C ATOM 616 NH1 ARG T 40 -0.132 -9.891 10.789 1.00 0.00 N ATOM 617 NH2 ARG T 40 1.719 -9.035 9.739 1.00 0.00 N ATOM 0 H ARG T 40 -3.553 -4.814 8.762 1.00 0.00 H new ATOM 0 HA ARG T 40 -4.814 -6.730 7.058 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.470 -6.296 6.838 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -2.192 -6.484 8.558 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -3.327 -8.880 7.229 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -1.732 -8.421 6.666 1.00 0.00 H new ATOM 0 HD2 ARG T 40 -2.253 -8.503 9.633 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -2.045 -10.016 8.773 1.00 0.00 H new ATOM 0 HE ARG T 40 0.089 -8.275 8.021 1.00 0.00 H new ATOM 0 HH11 ARG T 40 -1.140 -10.046 10.819 1.00 0.00 H new ATOM 0 HH12 ARG T 40 0.460 -10.241 11.542 1.00 0.00 H new ATOM 0 HH21 ARG T 40 2.139 -8.529 8.959 1.00 0.00 H new ATOM 0 HH22 ARG T 40 2.307 -9.387 10.494 1.00 0.00 H new ATOM 631 N LYS T 41 -4.620 -7.290 10.270 1.00 0.00 N ATOM 632 CA LYS T 41 -5.062 -8.162 11.346 1.00 0.00 C ATOM 633 C LYS T 41 -6.584 -8.237 11.409 1.00 0.00 C ATOM 634 O LYS T 41 -7.142 -9.144 12.028 1.00 0.00 O ATOM 635 CB LYS T 41 -4.506 -7.680 12.686 1.00 0.00 C ATOM 636 CG LYS T 41 -3.037 -7.296 12.628 1.00 0.00 C ATOM 637 CD LYS T 41 -2.388 -7.359 14.000 1.00 0.00 C ATOM 638 CE LYS T 41 -1.833 -8.745 14.291 1.00 0.00 C ATOM 639 NZ LYS T 41 -0.454 -8.683 14.848 1.00 0.00 N ATOM 0 H LYS T 41 -4.192 -6.418 10.583 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.681 -9.162 11.141 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -5.085 -6.820 13.023 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -4.639 -8.466 13.430 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -2.512 -7.965 11.946 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -2.939 -6.288 12.225 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -1.585 -6.625 14.058 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -3.120 -7.091 14.762 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -2.487 -9.258 14.996 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -1.828 -9.334 13.374 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 -0.111 -9.647 15.033 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 0.176 -8.216 14.164 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 -0.462 -8.142 15.736 1.00 0.00 H new ATOM 653 N ILE T 42 -7.253 -7.285 10.767 1.00 0.00 N ATOM 654 CA ILE T 42 -8.707 -7.257 10.755 1.00 0.00 C ATOM 655 C ILE T 42 -9.251 -8.056 9.577 1.00 0.00 C ATOM 656 O ILE T 42 -10.444 -8.347 9.506 1.00 0.00 O ATOM 657 CB ILE T 42 -9.232 -5.814 10.673 1.00 0.00 C ATOM 658 CG1 ILE T 42 -9.088 -5.285 9.248 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.482 -4.924 11.652 1.00 0.00 C ATOM 660 CD1 ILE T 42 -10.325 -4.581 8.733 1.00 0.00 C ATOM 0 H ILE T 42 -6.811 -6.525 10.250 1.00 0.00 H new ATOM 0 HA ILE T 42 -9.050 -7.707 11.687 1.00 0.00 H new ATOM 0 HB ILE T 42 -10.288 -5.806 10.942 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -8.245 -4.595 9.209 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -8.850 -6.116 8.584 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -8.864 -3.905 11.584 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.625 -5.298 12.666 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -7.419 -4.930 11.409 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -10.148 -4.233 7.715 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -11.167 -5.274 8.738 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.552 -3.729 9.374 1.00 0.00 H new ATOM 672 N GLY T 43 -8.360 -8.405 8.653 1.00 0.00 N ATOM 673 CA GLY T 43 -8.758 -9.167 7.487 1.00 0.00 C ATOM 674 C GLY T 43 -8.376 -8.471 6.196 1.00 0.00 C ATOM 675 O GLY T 43 -8.866 -8.826 5.123 1.00 0.00 O ATOM 0 H GLY T 43 -7.368 -8.172 8.693 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -8.291 -10.151 7.520 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -9.836 -9.325 7.508 1.00 0.00 H new ATOM 679 N PHE T 44 -7.498 -7.476 6.295 1.00 0.00 N ATOM 680 CA PHE T 44 -7.056 -6.734 5.119 1.00 0.00 C ATOM 681 C PHE T 44 -5.932 -7.472 4.398 1.00 0.00 C ATOM 682 O PHE T 44 -4.906 -7.797 4.995 1.00 0.00 O ATOM 683 CB PHE T 44 -6.592 -5.331 5.517 1.00 0.00 C ATOM 684 CG PHE T 44 -6.588 -4.347 4.380 1.00 0.00 C ATOM 685 CD1 PHE T 44 -7.050 -4.714 3.124 1.00 0.00 C ATOM 686 CD2 PHE T 44 -6.125 -3.054 4.566 1.00 0.00 C ATOM 687 CE1 PHE T 44 -7.049 -3.812 2.079 1.00 0.00 C ATOM 688 CE2 PHE T 44 -6.121 -2.146 3.523 1.00 0.00 C ATOM 689 CZ PHE T 44 -6.585 -2.526 2.278 1.00 0.00 C ATOM 0 H PHE T 44 -7.081 -7.167 7.173 1.00 0.00 H new ATOM 0 HA PHE T 44 -7.902 -6.647 4.437 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -7.241 -4.955 6.308 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -5.586 -5.395 5.933 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -7.415 -5.718 2.962 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -5.763 -2.752 5.538 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -7.411 -4.111 1.106 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -5.756 -1.142 3.681 1.00 0.00 H new ATOM 0 HZ PHE T 44 -6.585 -1.819 1.462 1.00 0.00 H new ATOM 699 N HIS T 45 -6.136 -7.734 3.111 1.00 0.00 N ATOM 700 CA HIS T 45 -5.143 -8.436 2.304 1.00 0.00 C ATOM 701 C HIS T 45 -5.169 -7.943 0.862 1.00 0.00 C ATOM 702 O HIS T 45 -6.220 -7.923 0.221 1.00 0.00 O ATOM 703 CB HIS T 45 -5.399 -9.945 2.344 1.00 0.00 C ATOM 704 CG HIS T 45 -4.430 -10.754 1.535 1.00 0.00 C ATOM 705 ND1 HIS T 45 -3.957 -11.985 1.938 1.00 0.00 N ATOM 706 CD2 HIS T 45 -3.846 -10.505 0.338 1.00 0.00 C ATOM 707 CE1 HIS T 45 -3.124 -12.455 1.026 1.00 0.00 C ATOM 708 NE2 HIS T 45 -3.041 -11.577 0.045 1.00 0.00 N ATOM 0 H HIS T 45 -6.981 -7.471 2.604 1.00 0.00 H new ATOM 0 HA HIS T 45 -4.158 -8.230 2.722 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.360 -10.282 3.380 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.409 -10.141 1.983 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -3.988 -9.626 -0.273 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -2.600 -13.398 1.075 1.00 0.00 H new ATOM 0 HE2 HIS T 45 -2.471 -11.678 -0.795 1.00 0.00 H new ATOM 717 N VAL T 46 -4.004 -7.550 0.355 1.00 0.00 N ATOM 718 CA VAL T 46 -3.893 -7.063 -1.015 1.00 0.00 C ATOM 719 C VAL T 46 -2.577 -7.500 -1.651 1.00 0.00 C ATOM 720 O VAL T 46 -1.551 -6.838 -1.493 1.00 0.00 O ATOM 721 CB VAL T 46 -3.995 -5.526 -1.087 1.00 0.00 C ATOM 722 CG1 VAL T 46 -4.809 -5.103 -2.299 1.00 0.00 C ATOM 723 CG2 VAL T 46 -4.602 -4.960 0.189 1.00 0.00 C ATOM 0 H VAL T 46 -3.125 -7.559 0.872 1.00 0.00 H new ATOM 0 HA VAL T 46 -4.727 -7.498 -1.566 1.00 0.00 H new ATOM 0 HB VAL T 46 -2.987 -5.124 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -4.871 -4.015 -2.334 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -4.328 -5.469 -3.206 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -5.813 -5.521 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -4.663 -3.874 0.113 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -5.602 -5.370 0.329 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -3.976 -5.229 1.040 1.00 0.00 H new ATOM 733 N CYS T 47 -2.615 -8.619 -2.370 1.00 0.00 N ATOM 734 CA CYS T 47 -1.425 -9.145 -3.031 1.00 0.00 C ATOM 735 C CYS T 47 -0.894 -8.156 -4.064 1.00 0.00 C ATOM 736 O CYS T 47 -1.184 -8.272 -5.254 1.00 0.00 O ATOM 737 CB CYS T 47 -1.741 -10.482 -3.705 1.00 0.00 C ATOM 738 SG CYS T 47 -1.317 -11.940 -2.698 1.00 0.00 S ATOM 0 H CYS T 47 -3.457 -9.178 -2.509 1.00 0.00 H new ATOM 0 HA CYS T 47 -0.657 -9.299 -2.273 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -2.804 -10.515 -3.943 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -1.201 -10.537 -4.650 1.00 0.00 H new ATOM 0 HG CYS T 47 -1.623 -13.022 -3.351 1.00 0.00 H new ATOM 743 N ALA T 48 -0.115 -7.184 -3.597 1.00 0.00 N ATOM 744 CA ALA T 48 0.459 -6.168 -4.473 1.00 0.00 C ATOM 745 C ALA T 48 1.104 -5.053 -3.661 1.00 0.00 C ATOM 746 O ALA T 48 0.465 -4.453 -2.797 1.00 0.00 O ATOM 747 CB ALA T 48 -0.609 -5.598 -5.395 1.00 0.00 C ATOM 0 H ALA T 48 0.134 -7.079 -2.613 1.00 0.00 H new ATOM 0 HA ALA T 48 1.231 -6.640 -5.080 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.165 -4.842 -6.042 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -1.027 -6.398 -6.006 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.401 -5.146 -4.798 1.00 0.00 H new ATOM 753 N ALA T 49 2.373 -4.778 -3.943 1.00 0.00 N ATOM 754 CA ALA T 49 3.103 -3.732 -3.236 1.00 0.00 C ATOM 755 C ALA T 49 2.271 -2.458 -3.135 1.00 0.00 C ATOM 756 O ALA T 49 1.990 -1.810 -4.140 1.00 0.00 O ATOM 757 CB ALA T 49 4.425 -3.448 -3.931 1.00 0.00 C ATOM 0 H ALA T 49 2.917 -5.264 -4.656 1.00 0.00 H new ATOM 0 HA ALA T 49 3.307 -4.084 -2.225 1.00 0.00 H new ATOM 0 HB1 ALA T 49 4.959 -2.665 -3.392 1.00 0.00 H new ATOM 0 HB2 ALA T 49 5.030 -4.355 -3.947 1.00 0.00 H new ATOM 0 HB3 ALA T 49 4.236 -3.120 -4.953 1.00 0.00 H new ATOM 763 N GLY T 50 1.881 -2.106 -1.916 1.00 0.00 N ATOM 764 CA GLY T 50 1.086 -0.909 -1.709 1.00 0.00 C ATOM 765 C GLY T 50 1.855 0.186 -0.998 1.00 0.00 C ATOM 766 O GLY T 50 2.343 -0.012 0.114 1.00 0.00 O ATOM 0 H GLY T 50 2.100 -2.627 -1.067 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.739 -0.537 -2.673 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.200 -1.162 -1.127 1.00 0.00 H new ATOM 770 N TRP T 51 1.968 1.342 -1.644 1.00 0.00 N ATOM 771 CA TRP T 51 2.689 2.471 -1.068 1.00 0.00 C ATOM 772 C TRP T 51 2.236 2.747 0.360 1.00 0.00 C ATOM 773 O TRP T 51 1.101 2.453 0.732 1.00 0.00 O ATOM 774 CB TRP T 51 2.493 3.720 -1.926 1.00 0.00 C ATOM 775 CG TRP T 51 3.381 3.747 -3.129 1.00 0.00 C ATOM 776 CD1 TRP T 51 3.017 3.510 -4.422 1.00 0.00 C ATOM 777 CD2 TRP T 51 4.785 4.017 -3.147 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.113 3.615 -5.245 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.211 3.928 -4.484 1.00 0.00 C ATOM 780 CE3 TRP T 51 5.725 4.327 -2.160 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.535 4.138 -4.860 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.038 4.536 -2.532 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.434 4.440 -3.872 1.00 0.00 C ATOM 0 H TRP T 51 1.570 1.521 -2.566 1.00 0.00 H new ATOM 0 HA TRP T 51 3.748 2.213 -1.046 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.453 3.774 -2.248 1.00 0.00 H new ATOM 0 HB3 TRP T 51 2.685 4.605 -1.319 1.00 0.00 H new ATOM 0 HD1 TRP T 51 2.016 3.275 -4.751 1.00 0.00 H new ATOM 0 HE1 TRP T 51 4.110 3.482 -6.256 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.429 4.402 -1.124 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 6.842 4.065 -5.893 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 7.772 4.777 -1.777 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.469 4.607 -4.131 1.00 0.00 H new ATOM 794 N MET T 52 3.138 3.313 1.154 1.00 0.00 N ATOM 795 CA MET T 52 2.844 3.634 2.545 1.00 0.00 C ATOM 796 C MET T 52 3.957 4.480 3.150 1.00 0.00 C ATOM 797 O MET T 52 4.961 4.764 2.496 1.00 0.00 O ATOM 798 CB MET T 52 2.661 2.354 3.364 1.00 0.00 C ATOM 799 CG MET T 52 3.283 1.121 2.728 1.00 0.00 C ATOM 800 SD MET T 52 2.925 -0.391 3.641 1.00 0.00 S ATOM 801 CE MET T 52 4.560 -1.118 3.746 1.00 0.00 C ATOM 0 H MET T 52 4.082 3.560 0.856 1.00 0.00 H new ATOM 0 HA MET T 52 1.916 4.206 2.570 1.00 0.00 H new ATOM 0 HB2 MET T 52 3.098 2.501 4.352 1.00 0.00 H new ATOM 0 HB3 MET T 52 1.595 2.177 3.510 1.00 0.00 H new ATOM 0 HG2 MET T 52 2.915 1.019 1.707 1.00 0.00 H new ATOM 0 HG3 MET T 52 4.363 1.255 2.666 1.00 0.00 H new ATOM 0 HE1 MET T 52 4.528 -2.141 3.372 1.00 0.00 H new ATOM 0 HE2 MET T 52 5.257 -0.534 3.145 1.00 0.00 H new ATOM 0 HE3 MET T 52 4.891 -1.121 4.785 1.00 0.00 H new ATOM 811 N ALA T 53 3.777 4.873 4.406 1.00 0.00 N ATOM 812 CA ALA T 53 4.768 5.678 5.106 1.00 0.00 C ATOM 813 C ALA T 53 5.155 6.913 4.299 1.00 0.00 C ATOM 814 O ALA T 53 4.476 7.283 3.343 1.00 0.00 O ATOM 815 CB ALA T 53 5.994 4.837 5.414 1.00 0.00 C ATOM 0 H ALA T 53 2.952 4.646 4.960 1.00 0.00 H new ATOM 0 HA ALA T 53 4.327 6.022 6.041 1.00 0.00 H new ATOM 0 HB1 ALA T 53 6.731 5.446 5.938 1.00 0.00 H new ATOM 0 HB2 ALA T 53 5.708 3.993 6.042 1.00 0.00 H new ATOM 0 HB3 ALA T 53 6.424 4.467 4.484 1.00 0.00 H new ATOM 821 N LYS T 54 6.250 7.545 4.702 1.00 0.00 N ATOM 822 CA LYS T 54 6.739 8.745 4.032 1.00 0.00 C ATOM 823 C LYS T 54 7.263 8.427 2.633 1.00 0.00 C ATOM 824 O LYS T 54 7.765 9.309 1.936 1.00 0.00 O ATOM 825 CB LYS T 54 7.844 9.398 4.861 1.00 0.00 C ATOM 826 CG LYS T 54 7.522 10.816 5.305 1.00 0.00 C ATOM 827 CD LYS T 54 8.629 11.789 4.932 1.00 0.00 C ATOM 828 CE LYS T 54 9.064 12.621 6.126 1.00 0.00 C ATOM 829 NZ LYS T 54 10.488 12.378 6.489 1.00 0.00 N ATOM 0 H LYS T 54 6.819 7.245 5.493 1.00 0.00 H new ATOM 0 HA LYS T 54 5.902 9.436 3.934 1.00 0.00 H new ATOM 0 HB2 LYS T 54 8.034 8.786 5.742 1.00 0.00 H new ATOM 0 HB3 LYS T 54 8.764 9.410 4.277 1.00 0.00 H new ATOM 0 HG2 LYS T 54 6.586 11.137 4.847 1.00 0.00 H new ATOM 0 HG3 LYS T 54 7.371 10.834 6.384 1.00 0.00 H new ATOM 0 HD2 LYS T 54 9.484 11.237 4.541 1.00 0.00 H new ATOM 0 HD3 LYS T 54 8.283 12.447 4.135 1.00 0.00 H new ATOM 0 HE2 LYS T 54 8.923 13.678 5.901 1.00 0.00 H new ATOM 0 HE3 LYS T 54 8.428 12.389 6.980 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 10.743 12.966 7.308 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 10.619 11.375 6.729 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 11.098 12.624 5.684 1.00 0.00 H new ATOM 843 N GLY T 55 7.146 7.166 2.227 1.00 0.00 N ATOM 844 CA GLY T 55 7.616 6.767 0.914 1.00 0.00 C ATOM 845 C GLY T 55 8.050 5.315 0.889 1.00 0.00 C ATOM 846 O GLY T 55 8.724 4.878 -0.043 1.00 0.00 O ATOM 0 H GLY T 55 6.735 6.416 2.783 1.00 0.00 H new ATOM 0 HA2 GLY T 55 6.824 6.922 0.182 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.452 7.401 0.619 1.00 0.00 H new ATOM 850 N ARG T 56 7.662 4.567 1.915 1.00 0.00 N ATOM 851 CA ARG T 56 8.017 3.155 2.006 1.00 0.00 C ATOM 852 C ARG T 56 6.904 2.277 1.442 1.00 0.00 C ATOM 853 O ARG T 56 5.745 2.398 1.837 1.00 0.00 O ATOM 854 CB ARG T 56 8.302 2.772 3.458 1.00 0.00 C ATOM 855 CG ARG T 56 9.782 2.756 3.803 1.00 0.00 C ATOM 856 CD ARG T 56 10.010 2.346 5.248 1.00 0.00 C ATOM 857 NE ARG T 56 11.323 2.761 5.736 1.00 0.00 N ATOM 858 CZ ARG T 56 11.781 2.476 6.952 1.00 0.00 C ATOM 859 NH1 ARG T 56 11.035 1.776 7.796 1.00 0.00 N ATOM 860 NH2 ARG T 56 12.986 2.890 7.322 1.00 0.00 N ATOM 0 H ARG T 56 7.103 4.913 2.694 1.00 0.00 H new ATOM 0 HA ARG T 56 8.917 2.993 1.413 1.00 0.00 H new ATOM 0 HB2 ARG T 56 7.791 3.474 4.117 1.00 0.00 H new ATOM 0 HB3 ARG T 56 7.881 1.786 3.654 1.00 0.00 H new ATOM 0 HG2 ARG T 56 10.304 2.066 3.141 1.00 0.00 H new ATOM 0 HG3 ARG T 56 10.208 3.745 3.632 1.00 0.00 H new ATOM 0 HD2 ARG T 56 9.235 2.785 5.876 1.00 0.00 H new ATOM 0 HD3 ARG T 56 9.916 1.264 5.336 1.00 0.00 H new ATOM 0 HE ARG T 56 11.922 3.299 5.110 1.00 0.00 H new ATOM 0 HH11 ARG T 56 10.109 1.455 7.513 1.00 0.00 H new ATOM 0 HH12 ARG T 56 11.387 1.558 8.728 1.00 0.00 H new ATOM 0 HH21 ARG T 56 13.562 3.427 6.674 1.00 0.00 H new ATOM 0 HH22 ARG T 56 13.336 2.671 8.255 1.00 0.00 H new ATOM 874 N VAL T 57 7.265 1.391 0.518 1.00 0.00 N ATOM 875 CA VAL T 57 6.297 0.490 -0.098 1.00 0.00 C ATOM 876 C VAL T 57 6.611 -0.963 0.243 1.00 0.00 C ATOM 877 O VAL T 57 7.751 -1.409 0.117 1.00 0.00 O ATOM 878 CB VAL T 57 6.266 0.657 -1.633 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.549 1.309 -2.125 1.00 0.00 C ATOM 880 CG2 VAL T 57 6.044 -0.685 -2.316 1.00 0.00 C ATOM 0 H VAL T 57 8.221 1.278 0.180 1.00 0.00 H new ATOM 0 HA VAL T 57 5.318 0.752 0.303 1.00 0.00 H new ATOM 0 HB VAL T 57 5.432 1.309 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL T 57 7.509 1.419 -3.209 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.658 2.291 -1.665 1.00 0.00 H new ATOM 0 HG13 VAL T 57 8.401 0.685 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL T 57 6.026 -0.545 -3.397 1.00 0.00 H new ATOM 0 HG22 VAL T 57 6.853 -1.366 -2.052 1.00 0.00 H new ATOM 0 HG23 VAL T 57 5.094 -1.107 -1.989 1.00 0.00 H new ATOM 890 N GLY T 58 5.591 -1.696 0.678 1.00 0.00 N ATOM 891 CA GLY T 58 5.779 -3.092 1.032 1.00 0.00 C ATOM 892 C GLY T 58 4.609 -3.958 0.608 1.00 0.00 C ATOM 893 O GLY T 58 3.654 -3.469 0.002 1.00 0.00 O ATOM 0 H GLY T 58 4.639 -1.349 0.792 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.691 -3.463 0.564 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.917 -3.175 2.110 1.00 0.00 H new ATOM 897 N TYR T 59 4.682 -5.247 0.925 1.00 0.00 N ATOM 898 CA TYR T 59 3.621 -6.183 0.572 1.00 0.00 C ATOM 899 C TYR T 59 3.097 -6.900 1.814 1.00 0.00 C ATOM 900 O TYR T 59 3.691 -7.872 2.280 1.00 0.00 O ATOM 901 CB TYR T 59 4.124 -7.206 -0.450 1.00 0.00 C ATOM 902 CG TYR T 59 5.481 -6.862 -1.026 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.659 -5.725 -1.806 1.00 0.00 C ATOM 904 CD2 TYR T 59 6.582 -7.676 -0.793 1.00 0.00 C ATOM 905 CE1 TYR T 59 6.895 -5.410 -2.336 1.00 0.00 C ATOM 906 CE2 TYR T 59 7.822 -7.366 -1.320 1.00 0.00 C ATOM 907 CZ TYR T 59 7.973 -6.234 -2.090 1.00 0.00 C ATOM 908 OH TYR T 59 9.206 -5.922 -2.616 1.00 0.00 O ATOM 0 H TYR T 59 5.465 -5.667 1.426 1.00 0.00 H new ATOM 0 HA TYR T 59 2.804 -5.615 0.127 1.00 0.00 H new ATOM 0 HB2 TYR T 59 4.176 -8.186 0.024 1.00 0.00 H new ATOM 0 HB3 TYR T 59 3.401 -7.283 -1.262 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.817 -5.077 -2.001 1.00 0.00 H new ATOM 0 HD2 TYR T 59 6.468 -8.565 -0.191 1.00 0.00 H new ATOM 0 HE1 TYR T 59 7.017 -4.523 -2.940 1.00 0.00 H new ATOM 0 HE2 TYR T 59 8.669 -8.009 -1.129 1.00 0.00 H new ATOM 0 HH TYR T 59 9.906 -6.163 -1.974 1.00 0.00 H new ATOM 918 N PRO T 60 1.972 -6.421 2.366 1.00 0.00 N ATOM 919 CA PRO T 60 1.361 -7.010 3.564 1.00 0.00 C ATOM 920 C PRO T 60 1.071 -8.500 3.405 1.00 0.00 C ATOM 921 O PRO T 60 1.869 -9.343 3.815 1.00 0.00 O ATOM 922 CB PRO T 60 0.054 -6.228 3.724 1.00 0.00 C ATOM 923 CG PRO T 60 0.264 -4.952 2.988 1.00 0.00 C ATOM 924 CD PRO T 60 1.212 -5.262 1.866 1.00 0.00 C ATOM 0 HA PRO T 60 2.024 -6.942 4.426 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -0.789 -6.784 3.314 1.00 0.00 H new ATOM 0 HB3 PRO T 60 -0.167 -6.043 4.775 1.00 0.00 H new ATOM 0 HG2 PRO T 60 -0.680 -4.565 2.604 1.00 0.00 H new ATOM 0 HG3 PRO T 60 0.677 -4.187 3.646 1.00 0.00 H new ATOM 0 HD2 PRO T 60 0.680 -5.499 0.945 1.00 0.00 H new ATOM 0 HD3 PRO T 60 1.866 -4.417 1.648 1.00 0.00 H new ATOM 932 N ILE T 61 -0.077 -8.814 2.812 1.00 0.00 N ATOM 933 CA ILE T 61 -0.481 -10.200 2.600 1.00 0.00 C ATOM 934 C ILE T 61 -0.918 -10.847 3.910 1.00 0.00 C ATOM 935 O ILE T 61 -0.088 -11.234 4.732 1.00 0.00 O ATOM 936 CB ILE T 61 0.655 -11.036 1.978 1.00 0.00 C ATOM 937 CG1 ILE T 61 1.288 -10.286 0.805 1.00 0.00 C ATOM 938 CG2 ILE T 61 0.130 -12.391 1.525 1.00 0.00 C ATOM 939 CD1 ILE T 61 0.355 -10.101 -0.371 1.00 0.00 C ATOM 0 H ILE T 61 -0.746 -8.125 2.469 1.00 0.00 H new ATOM 0 HA ILE T 61 -1.321 -10.181 1.906 1.00 0.00 H new ATOM 0 HB ILE T 61 1.421 -11.199 2.736 1.00 0.00 H new ATOM 0 HG12 ILE T 61 1.624 -9.308 1.149 1.00 0.00 H new ATOM 0 HG13 ILE T 61 2.174 -10.828 0.474 1.00 0.00 H new ATOM 0 HG21 ILE T 61 0.944 -12.969 1.088 1.00 0.00 H new ATOM 0 HG22 ILE T 61 -0.278 -12.928 2.381 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -0.653 -12.247 0.781 1.00 0.00 H new ATOM 0 HD11 ILE T 61 0.872 -9.561 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE T 61 0.039 -11.076 -0.742 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -0.519 -9.532 -0.056 1.00 0.00 H new ATOM 951 N VAL T 62 -2.230 -10.959 4.099 1.00 0.00 N ATOM 952 CA VAL T 62 -2.782 -11.556 5.309 1.00 0.00 C ATOM 953 C VAL T 62 -2.655 -13.075 5.282 1.00 0.00 C ATOM 954 O VAL T 62 -2.324 -13.699 6.291 1.00 0.00 O ATOM 955 CB VAL T 62 -4.264 -11.171 5.497 1.00 0.00 C ATOM 956 CG1 VAL T 62 -5.183 -12.225 4.897 1.00 0.00 C ATOM 957 CG2 VAL T 62 -4.576 -10.959 6.970 1.00 0.00 C ATOM 0 H VAL T 62 -2.930 -10.643 3.428 1.00 0.00 H new ATOM 0 HA VAL T 62 -2.206 -11.166 6.148 1.00 0.00 H new ATOM 0 HB VAL T 62 -4.441 -10.234 4.969 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -6.222 -11.928 5.044 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -4.980 -12.320 3.830 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -5.007 -13.183 5.387 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -5.626 -10.688 7.084 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -4.377 -11.879 7.520 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -3.950 -10.158 7.363 1.00 0.00 H new ATOM 1104 N THR T 73 5.590 -13.951 5.707 1.00 0.00 N ATOM 1105 CA THR T 73 4.645 -13.599 6.758 1.00 0.00 C ATOM 1106 C THR T 73 4.794 -12.138 7.167 1.00 0.00 C ATOM 1107 O THR T 73 5.896 -11.672 7.453 1.00 0.00 O ATOM 1108 CB THR T 73 4.836 -14.488 7.999 1.00 0.00 C ATOM 1109 OG1 THR T 73 6.153 -15.052 8.001 1.00 0.00 O ATOM 1110 CG2 THR T 73 3.801 -15.604 8.029 1.00 0.00 C ATOM 0 HA THR T 73 3.646 -13.758 6.352 1.00 0.00 H new ATOM 0 HB THR T 73 4.706 -13.868 8.886 1.00 0.00 H new ATOM 0 HG1 THR T 73 6.543 -14.976 7.105 1.00 0.00 H new ATOM 0 HG21 THR T 73 3.955 -16.220 8.915 1.00 0.00 H new ATOM 0 HG22 THR T 73 2.801 -15.172 8.057 1.00 0.00 H new ATOM 0 HG23 THR T 73 3.905 -16.221 7.136 1.00 0.00 H new ATOM 1118 N GLY T 74 3.677 -11.419 7.190 1.00 0.00 N ATOM 1119 CA GLY T 74 3.703 -10.016 7.563 1.00 0.00 C ATOM 1120 C GLY T 74 4.005 -9.123 6.377 1.00 0.00 C ATOM 1121 O GLY T 74 4.277 -9.610 5.280 1.00 0.00 O ATOM 0 H GLY T 74 2.753 -11.783 6.957 1.00 0.00 H new ATOM 0 HA2 GLY T 74 2.741 -9.736 7.993 1.00 0.00 H new ATOM 0 HA3 GLY T 74 4.455 -9.860 8.336 1.00 0.00 H new ATOM 1125 N ILE T 75 3.958 -7.812 6.594 1.00 0.00 N ATOM 1126 CA ILE T 75 4.229 -6.857 5.527 1.00 0.00 C ATOM 1127 C ILE T 75 5.695 -6.900 5.115 1.00 0.00 C ATOM 1128 O ILE T 75 6.573 -6.439 5.844 1.00 0.00 O ATOM 1129 CB ILE T 75 3.866 -5.420 5.945 1.00 0.00 C ATOM 1130 CG1 ILE T 75 2.456 -5.383 6.540 1.00 0.00 C ATOM 1131 CG2 ILE T 75 3.977 -4.483 4.749 1.00 0.00 C ATOM 1132 CD1 ILE T 75 1.696 -4.109 6.245 1.00 0.00 C ATOM 0 H ILE T 75 3.736 -7.389 7.495 1.00 0.00 H new ATOM 0 HA ILE T 75 3.605 -7.145 4.681 1.00 0.00 H new ATOM 0 HB ILE T 75 4.567 -5.084 6.709 1.00 0.00 H new ATOM 0 HG12 ILE T 75 1.888 -6.230 6.155 1.00 0.00 H new ATOM 0 HG13 ILE T 75 2.525 -5.510 7.620 1.00 0.00 H new ATOM 0 HG21 ILE T 75 3.718 -3.470 5.056 1.00 0.00 H new ATOM 0 HG22 ILE T 75 4.999 -4.497 4.369 1.00 0.00 H new ATOM 0 HG23 ILE T 75 3.294 -4.811 3.965 1.00 0.00 H new ATOM 0 HD11 ILE T 75 0.707 -4.161 6.701 1.00 0.00 H new ATOM 0 HD12 ILE T 75 2.240 -3.258 6.655 1.00 0.00 H new ATOM 0 HD13 ILE T 75 1.593 -3.988 5.167 1.00 0.00 H new ATOM 1144 N ILE T 76 5.949 -7.461 3.938 1.00 0.00 N ATOM 1145 CA ILE T 76 7.308 -7.571 3.420 1.00 0.00 C ATOM 1146 C ILE T 76 7.756 -6.265 2.774 1.00 0.00 C ATOM 1147 O ILE T 76 7.672 -6.101 1.557 1.00 0.00 O ATOM 1148 CB ILE T 76 7.421 -8.711 2.390 1.00 0.00 C ATOM 1149 CG1 ILE T 76 6.790 -9.994 2.938 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.877 -8.948 2.019 1.00 0.00 C ATOM 1151 CD1 ILE T 76 7.153 -10.284 4.377 1.00 0.00 C ATOM 0 H ILE T 76 5.231 -7.847 3.324 1.00 0.00 H new ATOM 0 HA ILE T 76 7.957 -7.792 4.267 1.00 0.00 H new ATOM 0 HB ILE T 76 6.879 -8.419 1.491 1.00 0.00 H new ATOM 0 HG12 ILE T 76 5.706 -9.920 2.854 1.00 0.00 H new ATOM 0 HG13 ILE T 76 7.101 -10.835 2.318 1.00 0.00 H new ATOM 0 HG21 ILE T 76 8.940 -9.756 1.291 1.00 0.00 H new ATOM 0 HG22 ILE T 76 9.296 -8.038 1.589 1.00 0.00 H new ATOM 0 HG23 ILE T 76 9.440 -9.219 2.912 1.00 0.00 H new ATOM 0 HD11 ILE T 76 6.669 -11.208 4.695 1.00 0.00 H new ATOM 0 HD12 ILE T 76 8.234 -10.392 4.465 1.00 0.00 H new ATOM 0 HD13 ILE T 76 6.817 -9.462 5.010 1.00 0.00 H new ATOM 1163 N ASP T 77 8.232 -5.337 3.598 1.00 0.00 N ATOM 1164 CA ASP T 77 8.693 -4.042 3.110 1.00 0.00 C ATOM 1165 C ASP T 77 10.211 -3.929 3.219 1.00 0.00 C ATOM 1166 O ASP T 77 10.793 -4.239 4.259 1.00 0.00 O ATOM 1167 CB ASP T 77 8.027 -2.912 3.897 1.00 0.00 C ATOM 1168 CG ASP T 77 8.781 -1.602 3.787 1.00 0.00 C ATOM 1169 OD1 ASP T 77 8.719 -0.970 2.711 1.00 0.00 O ATOM 1170 OD2 ASP T 77 9.434 -1.208 4.776 1.00 0.00 O ATOM 0 H ASP T 77 8.309 -5.458 4.608 1.00 0.00 H new ATOM 0 HA ASP T 77 8.415 -3.956 2.059 1.00 0.00 H new ATOM 0 HB2 ASP T 77 7.009 -2.772 3.534 1.00 0.00 H new ATOM 0 HB3 ASP T 77 7.955 -3.198 4.946 1.00 0.00 H new ATOM 1175 N TYR T 78 10.846 -3.485 2.140 1.00 0.00 N ATOM 1176 CA TYR T 78 12.296 -3.332 2.114 1.00 0.00 C ATOM 1177 C TYR T 78 12.688 -1.861 2.209 1.00 0.00 C ATOM 1178 O TYR T 78 13.779 -1.472 1.792 1.00 0.00 O ATOM 1179 CB TYR T 78 12.873 -3.941 0.834 1.00 0.00 C ATOM 1180 CG TYR T 78 12.534 -5.403 0.649 1.00 0.00 C ATOM 1181 CD1 TYR T 78 11.233 -5.805 0.375 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.516 -6.380 0.750 1.00 0.00 C ATOM 1183 CE1 TYR T 78 10.920 -7.140 0.205 1.00 0.00 C ATOM 1184 CE2 TYR T 78 13.210 -7.718 0.581 1.00 0.00 C ATOM 1185 CZ TYR T 78 11.912 -8.092 0.309 1.00 0.00 C ATOM 1186 OH TYR T 78 11.604 -9.422 0.140 1.00 0.00 O ATOM 0 H TYR T 78 10.379 -3.225 1.271 1.00 0.00 H new ATOM 0 HA TYR T 78 12.707 -3.858 2.976 1.00 0.00 H new ATOM 0 HB2 TYR T 78 12.502 -3.380 -0.024 1.00 0.00 H new ATOM 0 HB3 TYR T 78 13.957 -3.827 0.845 1.00 0.00 H new ATOM 0 HD1 TYR T 78 10.453 -5.062 0.294 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.534 -6.090 0.964 1.00 0.00 H new ATOM 0 HE1 TYR T 78 9.904 -7.436 -0.008 1.00 0.00 H new ATOM 0 HE2 TYR T 78 13.985 -8.466 0.662 1.00 0.00 H new ATOM 0 HH TYR T 78 12.416 -9.961 0.244 1.00 0.00 H new ATOM 1196 N GLY T 79 11.791 -1.048 2.757 1.00 0.00 N ATOM 1197 CA GLY T 79 12.063 0.370 2.892 1.00 0.00 C ATOM 1198 C GLY T 79 12.062 1.055 1.539 1.00 0.00 C ATOM 1199 O GLY T 79 12.015 0.393 0.503 1.00 0.00 O ATOM 0 H GLY T 79 10.881 -1.346 3.110 1.00 0.00 H new ATOM 0 HA2 GLY T 79 11.312 0.828 3.536 1.00 0.00 H new ATOM 0 HA3 GLY T 79 13.029 0.514 3.376 1.00 0.00 H new ATOM 1203 N ILE T 80 12.115 2.383 1.547 1.00 0.00 N ATOM 1204 CA ILE T 80 12.120 3.153 0.314 1.00 0.00 C ATOM 1205 C ILE T 80 13.190 2.651 -0.647 1.00 0.00 C ATOM 1206 O ILE T 80 14.210 2.104 -0.228 1.00 0.00 O ATOM 1207 CB ILE T 80 12.357 4.645 0.598 1.00 0.00 C ATOM 1208 CG1 ILE T 80 11.484 5.097 1.768 1.00 0.00 C ATOM 1209 CG2 ILE T 80 12.074 5.477 -0.644 1.00 0.00 C ATOM 1210 CD1 ILE T 80 11.544 6.585 2.036 1.00 0.00 C ATOM 0 H ILE T 80 12.155 2.947 2.396 1.00 0.00 H new ATOM 0 HA ILE T 80 11.141 3.025 -0.147 1.00 0.00 H new ATOM 0 HB ILE T 80 13.403 4.792 0.868 1.00 0.00 H new ATOM 0 HG12 ILE T 80 10.450 4.815 1.568 1.00 0.00 H new ATOM 0 HG13 ILE T 80 11.792 4.563 2.667 1.00 0.00 H new ATOM 0 HG21 ILE T 80 12.247 6.530 -0.424 1.00 0.00 H new ATOM 0 HG22 ILE T 80 12.735 5.162 -1.451 1.00 0.00 H new ATOM 0 HG23 ILE T 80 11.037 5.336 -0.948 1.00 0.00 H new ATOM 0 HD11 ILE T 80 10.899 6.829 2.880 1.00 0.00 H new ATOM 0 HD12 ILE T 80 12.570 6.872 2.268 1.00 0.00 H new ATOM 0 HD13 ILE T 80 11.207 7.128 1.153 1.00 0.00 H new ATOM 1222 N ARG T 81 12.948 2.842 -1.937 1.00 0.00 N ATOM 1223 CA ARG T 81 13.889 2.411 -2.965 1.00 0.00 C ATOM 1224 C ARG T 81 14.497 3.610 -3.683 1.00 0.00 C ATOM 1225 O ARG T 81 15.037 3.479 -4.782 1.00 0.00 O ATOM 1226 CB ARG T 81 13.190 1.498 -3.975 1.00 0.00 C ATOM 1227 CG ARG T 81 12.307 0.441 -3.332 1.00 0.00 C ATOM 1228 CD ARG T 81 13.016 -0.900 -3.245 1.00 0.00 C ATOM 1229 NE ARG T 81 12.489 -1.861 -4.209 1.00 0.00 N ATOM 1230 CZ ARG T 81 13.111 -2.188 -5.338 1.00 0.00 C ATOM 1231 NH1 ARG T 81 14.276 -1.633 -5.642 1.00 0.00 N ATOM 1232 NH2 ARG T 81 12.567 -3.071 -6.164 1.00 0.00 N ATOM 0 H ARG T 81 12.107 3.293 -2.298 1.00 0.00 H new ATOM 0 HA ARG T 81 14.691 1.857 -2.478 1.00 0.00 H new ATOM 0 HB2 ARG T 81 12.583 2.108 -4.644 1.00 0.00 H new ATOM 0 HB3 ARG T 81 13.944 1.005 -4.589 1.00 0.00 H new ATOM 0 HG2 ARG T 81 12.018 0.766 -2.333 1.00 0.00 H new ATOM 0 HG3 ARG T 81 11.389 0.332 -3.910 1.00 0.00 H new ATOM 0 HD2 ARG T 81 14.082 -0.758 -3.420 1.00 0.00 H new ATOM 0 HD3 ARG T 81 12.909 -1.302 -2.237 1.00 0.00 H new ATOM 0 HE ARG T 81 11.594 -2.306 -4.005 1.00 0.00 H new ATOM 0 HH11 ARG T 81 14.698 -0.953 -5.009 1.00 0.00 H new ATOM 0 HH12 ARG T 81 14.751 -1.886 -6.509 1.00 0.00 H new ATOM 0 HH21 ARG T 81 11.671 -3.500 -5.934 1.00 0.00 H new ATOM 0 HH22 ARG T 81 13.045 -3.321 -7.030 1.00 0.00 H new ATOM 1246 N LEU T 82 14.406 4.777 -3.055 1.00 0.00 N ATOM 1247 CA LEU T 82 14.946 6.001 -3.634 1.00 0.00 C ATOM 1248 C LEU T 82 14.380 6.234 -5.031 1.00 0.00 C ATOM 1249 O LEU T 82 15.050 6.795 -5.899 1.00 0.00 O ATOM 1250 CB LEU T 82 16.472 5.934 -3.692 1.00 0.00 C ATOM 1251 CG LEU T 82 17.207 7.208 -3.265 1.00 0.00 C ATOM 1252 CD1 LEU T 82 16.713 8.404 -4.064 1.00 0.00 C ATOM 1253 CD2 LEU T 82 17.029 7.452 -1.773 1.00 0.00 C ATOM 0 H LEU T 82 13.963 4.901 -2.145 1.00 0.00 H new ATOM 0 HA LEU T 82 14.653 6.836 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.806 5.113 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU T 82 16.769 5.689 -4.712 1.00 0.00 H new ATOM 0 HG LEU T 82 18.270 7.076 -3.468 1.00 0.00 H new ATOM 0 HD11 LEU T 82 17.247 9.300 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU T 82 16.893 8.232 -5.125 1.00 0.00 H new ATOM 0 HD13 LEU T 82 15.645 8.539 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU T 82 17.558 8.361 -1.487 1.00 0.00 H new ATOM 0 HD22 LEU T 82 15.969 7.563 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU T 82 17.433 6.607 -1.215 1.00 0.00 H new ATOM 1265 N ASN T 83 13.144 5.797 -5.243 1.00 0.00 N ATOM 1266 CA ASN T 83 12.487 5.955 -6.533 1.00 0.00 C ATOM 1267 C ASN T 83 10.980 6.111 -6.363 1.00 0.00 C ATOM 1268 O ASN T 83 10.219 5.171 -6.587 1.00 0.00 O ATOM 1269 CB ASN T 83 12.788 4.753 -7.430 1.00 0.00 C ATOM 1270 CG ASN T 83 13.627 5.128 -8.635 1.00 0.00 C ATOM 1271 OD1 ASN T 83 14.762 4.675 -8.780 1.00 0.00 O ATOM 1272 ND2 ASN T 83 13.071 5.961 -9.507 1.00 0.00 N ATOM 0 H ASN T 83 12.576 5.330 -4.536 1.00 0.00 H new ATOM 0 HA ASN T 83 12.876 6.859 -7.002 1.00 0.00 H new ATOM 0 HB2 ASN T 83 13.310 3.992 -6.850 1.00 0.00 H new ATOM 0 HB3 ASN T 83 11.851 4.310 -7.767 1.00 0.00 H new ATOM 0 HD21 ASN T 83 13.588 6.250 -10.337 1.00 0.00 H new ATOM 0 HD22 ASN T 83 12.127 6.312 -9.346 1.00 0.00 H new ATOM 1279 N ARG T 84 10.554 7.306 -5.964 1.00 0.00 N ATOM 1280 CA ARG T 84 9.140 7.586 -5.765 1.00 0.00 C ATOM 1281 C ARG T 84 8.380 7.522 -7.084 1.00 0.00 C ATOM 1282 O ARG T 84 7.178 7.784 -7.132 1.00 0.00 O ATOM 1283 CB ARG T 84 8.963 8.963 -5.125 1.00 0.00 C ATOM 1284 CG ARG T 84 9.368 9.010 -3.662 1.00 0.00 C ATOM 1285 CD ARG T 84 8.929 10.305 -2.998 1.00 0.00 C ATOM 1286 NE ARG T 84 9.399 10.402 -1.619 1.00 0.00 N ATOM 1287 CZ ARG T 84 9.811 11.535 -1.058 1.00 0.00 C ATOM 1288 NH1 ARG T 84 9.806 12.663 -1.754 1.00 0.00 N ATOM 1289 NH2 ARG T 84 10.229 11.540 0.200 1.00 0.00 N ATOM 0 H ARG T 84 11.171 8.096 -5.773 1.00 0.00 H new ATOM 0 HA ARG T 84 8.732 6.826 -5.099 1.00 0.00 H new ATOM 0 HB2 ARG T 84 9.554 9.691 -5.681 1.00 0.00 H new ATOM 0 HB3 ARG T 84 7.919 9.265 -5.214 1.00 0.00 H new ATOM 0 HG2 ARG T 84 8.928 8.164 -3.135 1.00 0.00 H new ATOM 0 HG3 ARG T 84 10.450 8.908 -3.581 1.00 0.00 H new ATOM 0 HD2 ARG T 84 9.308 11.152 -3.570 1.00 0.00 H new ATOM 0 HD3 ARG T 84 7.841 10.370 -3.015 1.00 0.00 H new ATOM 0 HE ARG T 84 9.412 9.553 -1.054 1.00 0.00 H new ATOM 0 HH11 ARG T 84 9.486 12.663 -2.722 1.00 0.00 H new ATOM 0 HH12 ARG T 84 10.123 13.531 -1.321 1.00 0.00 H new ATOM 0 HH21 ARG T 84 10.235 10.674 0.739 1.00 0.00 H new ATOM 0 HH22 ARG T 84 10.545 12.410 0.629 1.00 0.00 H new ATOM 1303 N SER T 85 9.086 7.173 -8.155 1.00 0.00 N ATOM 1304 CA SER T 85 8.477 7.076 -9.475 1.00 0.00 C ATOM 1305 C SER T 85 8.212 5.620 -9.847 1.00 0.00 C ATOM 1306 O SER T 85 7.920 5.308 -11.000 1.00 0.00 O ATOM 1307 CB SER T 85 9.379 7.726 -10.526 1.00 0.00 C ATOM 1308 OG SER T 85 8.939 9.036 -10.836 1.00 0.00 O ATOM 0 H SER T 85 10.082 6.953 -8.133 1.00 0.00 H new ATOM 0 HA SER T 85 7.524 7.605 -9.447 1.00 0.00 H new ATOM 0 HB2 SER T 85 10.404 7.761 -10.158 1.00 0.00 H new ATOM 0 HB3 SER T 85 9.386 7.118 -11.430 1.00 0.00 H new ATOM 0 HG SER T 85 9.533 9.430 -11.509 1.00 0.00 H new ATOM 1314 N GLU T 86 8.316 4.734 -8.861 1.00 0.00 N ATOM 1315 CA GLU T 86 8.085 3.312 -9.087 1.00 0.00 C ATOM 1316 C GLU T 86 6.632 3.059 -9.472 1.00 0.00 C ATOM 1317 O GLU T 86 5.841 3.993 -9.592 1.00 0.00 O ATOM 1318 CB GLU T 86 8.441 2.512 -7.834 1.00 0.00 C ATOM 1319 CG GLU T 86 9.915 2.150 -7.742 1.00 0.00 C ATOM 1320 CD GLU T 86 10.191 0.718 -8.158 1.00 0.00 C ATOM 1321 OE1 GLU T 86 9.725 0.316 -9.245 1.00 0.00 O ATOM 1322 OE2 GLU T 86 10.871 0.000 -7.397 1.00 0.00 O ATOM 0 H GLU T 86 8.558 4.975 -7.900 1.00 0.00 H new ATOM 0 HA GLU T 86 8.724 2.987 -9.908 1.00 0.00 H new ATOM 0 HB2 GLU T 86 8.161 3.089 -6.953 1.00 0.00 H new ATOM 0 HB3 GLU T 86 7.849 1.597 -7.817 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.491 2.826 -8.374 1.00 0.00 H new ATOM 0 HG3 GLU T 86 10.259 2.300 -6.719 1.00 0.00 H new ATOM 1329 N ARG T 87 6.284 1.790 -9.667 1.00 0.00 N ATOM 1330 CA ARG T 87 4.923 1.427 -10.039 1.00 0.00 C ATOM 1331 C ARG T 87 4.401 0.280 -9.182 1.00 0.00 C ATOM 1332 O ARG T 87 4.900 -0.842 -9.255 1.00 0.00 O ATOM 1333 CB ARG T 87 4.855 1.044 -11.515 1.00 0.00 C ATOM 1334 CG ARG T 87 5.924 0.053 -11.941 1.00 0.00 C ATOM 1335 CD ARG T 87 6.684 0.537 -13.165 1.00 0.00 C ATOM 1336 NE ARG T 87 5.783 0.938 -14.243 1.00 0.00 N ATOM 1337 CZ ARG T 87 5.753 2.161 -14.761 1.00 0.00 C ATOM 1338 NH1 ARG T 87 6.569 3.100 -14.300 1.00 0.00 N ATOM 1339 NH2 ARG T 87 4.907 2.447 -15.741 1.00 0.00 N ATOM 0 H ARG T 87 6.923 1.001 -9.574 1.00 0.00 H new ATOM 0 HA ARG T 87 4.291 2.298 -9.867 1.00 0.00 H new ATOM 0 HB2 ARG T 87 3.874 0.619 -11.725 1.00 0.00 H new ATOM 0 HB3 ARG T 87 4.948 1.946 -12.120 1.00 0.00 H new ATOM 0 HG2 ARG T 87 6.622 -0.105 -11.119 1.00 0.00 H new ATOM 0 HG3 ARG T 87 5.462 -0.910 -12.157 1.00 0.00 H new ATOM 0 HD2 ARG T 87 7.317 1.380 -12.889 1.00 0.00 H new ATOM 0 HD3 ARG T 87 7.344 -0.255 -13.519 1.00 0.00 H new ATOM 0 HE ARG T 87 5.141 0.240 -14.619 1.00 0.00 H new ATOM 0 HH11 ARG T 87 7.221 2.884 -13.546 1.00 0.00 H new ATOM 0 HH12 ARG T 87 6.544 4.038 -14.699 1.00 0.00 H new ATOM 0 HH21 ARG T 87 4.278 1.728 -16.098 1.00 0.00 H new ATOM 0 HH22 ARG T 87 4.885 3.386 -16.138 1.00 0.00 H new ATOM 1353 N TRP T 88 3.388 0.576 -8.378 1.00 0.00 N ATOM 1354 CA TRP T 88 2.774 -0.417 -7.502 1.00 0.00 C ATOM 1355 C TRP T 88 1.309 -0.071 -7.256 1.00 0.00 C ATOM 1356 O TRP T 88 0.587 0.311 -8.177 1.00 0.00 O ATOM 1357 CB TRP T 88 3.516 -0.492 -6.163 1.00 0.00 C ATOM 1358 CG TRP T 88 5.008 -0.459 -6.290 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.829 0.595 -6.011 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.858 -1.528 -6.721 1.00 0.00 C ATOM 1361 NE1 TRP T 88 7.138 0.248 -6.246 1.00 0.00 N ATOM 1362 CE2 TRP T 88 7.181 -1.050 -6.681 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.628 -2.843 -7.136 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 8.270 -1.841 -7.042 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.710 -3.627 -7.493 1.00 0.00 C ATOM 1366 CH2 TRP T 88 8.016 -3.124 -7.444 1.00 0.00 C ATOM 0 H TRP T 88 2.970 1.504 -8.314 1.00 0.00 H new ATOM 0 HA TRP T 88 2.837 -1.388 -7.994 1.00 0.00 H new ATOM 0 HB2 TRP T 88 3.197 0.340 -5.535 1.00 0.00 H new ATOM 0 HB3 TRP T 88 3.226 -1.408 -5.649 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.498 1.560 -5.657 1.00 0.00 H new ATOM 0 HE1 TRP T 88 7.946 0.858 -6.117 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.624 -3.239 -7.177 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 9.278 -1.455 -7.006 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 6.545 -4.645 -7.815 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.840 -3.762 -7.729 1.00 0.00 H new ATOM 1377 N ASP T 89 0.880 -0.195 -6.004 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.494 0.117 -5.631 1.00 0.00 C ATOM 1379 C ASP T 89 -0.528 1.302 -4.677 1.00 0.00 C ATOM 1380 O ASP T 89 0.473 1.997 -4.502 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.164 -1.094 -4.980 1.00 0.00 C ATOM 1382 CG ASP T 89 -0.877 -2.380 -5.730 1.00 0.00 C ATOM 1383 OD1 ASP T 89 0.313 -2.729 -5.877 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -1.844 -3.039 -6.168 1.00 0.00 O ATOM 0 H ASP T 89 1.465 -0.510 -5.230 1.00 0.00 H new ATOM 0 HA ASP T 89 -1.042 0.375 -6.537 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -0.816 -1.190 -3.951 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.241 -0.932 -4.939 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.680 1.531 -4.062 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.832 2.639 -3.129 1.00 0.00 C ATOM 1391 C ALA T 90 -2.818 2.295 -2.017 1.00 0.00 C ATOM 1392 O ALA T 90 -3.913 1.798 -2.280 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.288 3.886 -3.869 1.00 0.00 C ATOM 0 H ALA T 90 -2.520 0.967 -4.191 1.00 0.00 H new ATOM 0 HA ALA T 90 -0.862 2.830 -2.670 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.399 4.708 -3.162 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.548 4.153 -4.623 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.245 3.692 -4.353 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.430 2.571 -0.776 1.00 0.00 N ATOM 1400 CA TYR T 91 -3.285 2.300 0.367 1.00 0.00 C ATOM 1401 C TYR T 91 -3.879 3.598 0.899 1.00 0.00 C ATOM 1402 O TYR T 91 -3.153 4.555 1.168 1.00 0.00 O ATOM 1403 CB TYR T 91 -2.488 1.599 1.467 1.00 0.00 C ATOM 1404 CG TYR T 91 -2.311 0.111 1.252 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -3.400 -0.754 1.269 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -1.049 -0.429 1.034 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -3.234 -2.113 1.076 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -0.877 -1.785 0.839 1.00 0.00 C ATOM 1409 CZ TYR T 91 -1.972 -2.622 0.860 1.00 0.00 C ATOM 1410 OH TYR T 91 -1.803 -3.974 0.667 1.00 0.00 O ATOM 0 H TYR T 91 -1.527 2.983 -0.539 1.00 0.00 H new ATOM 0 HA TYR T 91 -4.097 1.646 0.049 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -1.505 2.064 1.540 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -2.989 1.760 2.422 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -4.391 -0.358 1.436 1.00 0.00 H new ATOM 0 HD2 TYR T 91 -0.188 0.223 1.017 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -4.089 -2.772 1.094 1.00 0.00 H new ATOM 0 HE2 TYR T 91 0.111 -2.188 0.671 1.00 0.00 H new ATOM 0 HH TYR T 91 -0.911 -4.143 0.297 1.00 0.00 H new ATOM 1420 N CYS T 92 -5.199 3.634 1.039 1.00 0.00 N ATOM 1421 CA CYS T 92 -5.878 4.828 1.530 1.00 0.00 C ATOM 1422 C CYS T 92 -6.243 4.691 3.003 1.00 0.00 C ATOM 1423 O CYS T 92 -6.314 3.585 3.538 1.00 0.00 O ATOM 1424 CB CYS T 92 -7.132 5.105 0.701 1.00 0.00 C ATOM 1425 SG CYS T 92 -6.886 6.325 -0.629 1.00 0.00 S ATOM 0 H CYS T 92 -5.819 2.854 0.821 1.00 0.00 H new ATOM 0 HA CYS T 92 -5.191 5.668 1.429 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -7.479 4.169 0.262 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -7.922 5.459 1.363 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.471 5.827 3.652 1.00 0.00 N ATOM 1431 CA TYR T 93 -6.826 5.849 5.064 1.00 0.00 C ATOM 1432 C TYR T 93 -7.696 7.057 5.386 1.00 0.00 C ATOM 1433 O TYR T 93 -7.277 8.202 5.213 1.00 0.00 O ATOM 1434 CB TYR T 93 -5.565 5.881 5.926 1.00 0.00 C ATOM 1435 CG TYR T 93 -5.843 5.698 7.400 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -6.356 6.740 8.161 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -5.591 4.486 8.031 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -6.613 6.582 9.509 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -5.846 4.319 9.379 1.00 0.00 C ATOM 1440 CZ TYR T 93 -6.356 5.370 10.114 1.00 0.00 C ATOM 1441 OH TYR T 93 -6.610 5.208 11.456 1.00 0.00 O ATOM 0 H TYR T 93 -6.416 6.749 3.219 1.00 0.00 H new ATOM 0 HA TYR T 93 -7.391 4.943 5.284 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -4.885 5.097 5.592 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -5.054 6.832 5.775 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -6.558 7.691 7.691 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -5.190 3.662 7.459 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -7.013 7.403 10.086 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -5.647 3.370 9.855 1.00 0.00 H new ATOM 0 HH TYR T 93 -6.375 4.296 11.726 1.00 0.00 H new ATOM 1451 N ASN T 94 -8.907 6.796 5.859 1.00 0.00 N ATOM 1452 CA ASN T 94 -9.837 7.859 6.212 1.00 0.00 C ATOM 1453 C ASN T 94 -10.570 7.519 7.504 1.00 0.00 C ATOM 1454 O ASN T 94 -11.056 6.401 7.677 1.00 0.00 O ATOM 1455 CB ASN T 94 -10.847 8.084 5.083 1.00 0.00 C ATOM 1456 CG ASN T 94 -10.228 8.739 3.865 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -9.115 8.402 3.461 1.00 0.00 O ATOM 1458 ND2 ASN T 94 -10.950 9.681 3.270 1.00 0.00 N ATOM 0 H ASN T 94 -9.269 5.854 6.007 1.00 0.00 H new ATOM 0 HA ASN T 94 -9.267 8.776 6.362 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -11.282 7.127 4.794 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -11.663 8.707 5.450 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -10.587 10.157 2.444 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -11.868 9.929 3.639 1.00 0.00 H new