USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=21 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= -10.3! C(o=-10!,f=-10!) USER MOD Set 1.2: T 47 CYS SG : rot 180:sc= -0.0401 USER MOD Set 2.1: T 29 HIS : +bothHN:sc= -6.32! C(o=-9.1!,f=-17!) USER MOD Set 2.2: T 32 THR OG1 : rot 180:sc= -0.283 USER MOD Set 2.3: T 35 GLN : amide:sc= -2.51 K(o=-9.1,f=-15!) USER MOD Set 3.1: T 9 SER OG : rot 180:sc= 0 USER MOD Set 3.2: T 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: T 3 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: T 94 ASN :FLIP amide:sc= -0.173 F(o=-2.2!,f=-0.17) USER MOD Single : T 4 HIS : no HE2:sc= -1.24 X(o=-1.2,f=-0.83) USER MOD Single : T 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 12 TYR OH : rot 180:sc= -0.189 USER MOD Single : T 15 THR OG1 : rot 180:sc= -0.406 USER MOD Single : T 16 TYR OH : rot 180:sc= 0 USER MOD Single : T 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 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+ 142:sc= 0.333 (180deg=0.000787) USER MOD Single : T 52 MET CE :methyl -167:sc= -0.685 (180deg=-1) USER MOD Single : T 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 59 TYR OH : rot 108:sc= 1.62 USER MOD Single : T 73 THR OG1 : rot -19:sc= 0.718 USER MOD Single : T 78 TYR OH : rot 180:sc= 0 USER MOD Single : T 83 ASN :FLIP amide:sc= -0.161 F(o=-0.67,f=-0.16) USER MOD Single : T 85 SER OG : rot 180:sc= 0 USER MOD Single : T 91 TYR OH : rot -52:sc= -2.37 USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N VAL T 2 -8.960 2.266 6.668 1.00 0.00 N ATOM 11 CA VAL T 2 -7.978 2.107 5.604 1.00 0.00 C ATOM 12 C VAL T 2 -8.334 0.939 4.690 1.00 0.00 C ATOM 13 O VAL T 2 -8.983 -0.018 5.112 1.00 0.00 O ATOM 14 CB VAL T 2 -6.571 1.881 6.181 1.00 0.00 C ATOM 15 CG1 VAL T 2 -6.604 0.832 7.280 1.00 0.00 C ATOM 16 CG2 VAL T 2 -5.595 1.486 5.084 1.00 0.00 C ATOM 0 HA VAL T 2 -7.987 3.029 5.023 1.00 0.00 H new ATOM 0 HB VAL T 2 -6.227 2.819 6.617 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -5.598 0.687 7.675 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -7.264 1.165 8.081 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -6.973 -0.109 6.873 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -4.606 1.331 5.515 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -5.933 0.564 4.611 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -5.545 2.279 4.338 1.00 0.00 H new ATOM 26 N TYR T 3 -7.899 1.025 3.437 1.00 0.00 N ATOM 27 CA TYR T 3 -8.164 -0.023 2.460 1.00 0.00 C ATOM 28 C TYR T 3 -7.190 0.062 1.290 1.00 0.00 C ATOM 29 O TYR T 3 -6.332 0.943 1.245 1.00 0.00 O ATOM 30 CB TYR T 3 -9.603 0.075 1.951 1.00 0.00 C ATOM 31 CG TYR T 3 -9.999 1.466 1.508 1.00 0.00 C ATOM 32 CD1 TYR T 3 -10.537 2.375 2.409 1.00 0.00 C ATOM 33 CD2 TYR T 3 -9.833 1.868 0.189 1.00 0.00 C ATOM 34 CE1 TYR T 3 -10.901 3.648 2.007 1.00 0.00 C ATOM 35 CE2 TYR T 3 -10.194 3.138 -0.221 1.00 0.00 C ATOM 36 CZ TYR T 3 -10.727 4.023 0.692 1.00 0.00 C ATOM 37 OH TYR T 3 -11.087 5.288 0.289 1.00 0.00 O ATOM 0 H TYR T 3 -7.360 1.812 3.075 1.00 0.00 H new ATOM 0 HA TYR T 3 -8.026 -0.985 2.953 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -9.731 -0.613 1.115 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -10.281 -0.252 2.739 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -10.674 2.084 3.440 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -9.415 1.177 -0.528 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -11.319 4.344 2.719 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -10.059 3.435 -1.251 1.00 0.00 H new ATOM 0 HH TYR T 3 -10.899 5.393 -0.667 1.00 0.00 H new ATOM 47 N HIS T 4 -7.328 -0.863 0.346 1.00 0.00 N ATOM 48 CA HIS T 4 -6.461 -0.899 -0.826 1.00 0.00 C ATOM 49 C HIS T 4 -7.035 -0.047 -1.953 1.00 0.00 C ATOM 50 O HIS T 4 -8.240 0.194 -2.011 1.00 0.00 O ATOM 51 CB HIS T 4 -6.275 -2.343 -1.301 1.00 0.00 C ATOM 52 CG HIS T 4 -5.824 -2.457 -2.725 1.00 0.00 C ATOM 53 ND1 HIS T 4 -6.663 -2.834 -3.753 1.00 0.00 N ATOM 54 CD2 HIS T 4 -4.612 -2.242 -3.291 1.00 0.00 C ATOM 55 CE1 HIS T 4 -5.988 -2.846 -4.888 1.00 0.00 C ATOM 56 NE2 HIS T 4 -4.742 -2.490 -4.635 1.00 0.00 N ATOM 0 H HIS T 4 -8.034 -1.599 0.370 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.491 -0.488 -0.546 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -5.546 -2.836 -0.658 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -7.217 -2.879 -1.184 1.00 0.00 H new ATOM 0 HD1 HIS T 4 -7.651 -3.067 -3.652 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -3.712 -1.933 -2.780 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -6.387 -3.103 -5.858 1.00 0.00 H new ATOM 65 N ARG T 5 -6.161 0.405 -2.845 1.00 0.00 N ATOM 66 CA ARG T 5 -6.578 1.231 -3.972 1.00 0.00 C ATOM 67 C ARG T 5 -5.680 0.996 -5.183 1.00 0.00 C ATOM 68 O ARG T 5 -4.511 0.638 -5.040 1.00 0.00 O ATOM 69 CB ARG T 5 -6.552 2.711 -3.585 1.00 0.00 C ATOM 70 CG ARG T 5 -7.932 3.338 -3.465 1.00 0.00 C ATOM 71 CD ARG T 5 -8.536 3.618 -4.831 1.00 0.00 C ATOM 72 NE ARG T 5 -9.996 3.637 -4.791 1.00 0.00 N ATOM 73 CZ ARG T 5 -10.763 3.603 -5.876 1.00 0.00 C ATOM 74 NH1 ARG T 5 -10.211 3.549 -7.080 1.00 0.00 N ATOM 75 NH2 ARG T 5 -12.083 3.622 -5.758 1.00 0.00 N ATOM 0 H ARG T 5 -5.160 0.214 -2.810 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.597 0.949 -4.237 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -6.030 2.819 -2.634 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -5.976 3.262 -4.329 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -8.588 2.672 -2.905 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -7.863 4.267 -2.899 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -8.171 4.577 -5.199 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -8.203 2.858 -5.537 1.00 0.00 H new ATOM 0 HE ARG T 5 -10.452 3.679 -3.880 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -9.196 3.533 -7.175 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -10.802 3.523 -7.911 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -12.512 3.663 -4.833 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -12.670 3.596 -6.592 1.00 0.00 H new ATOM 89 N GLU T 6 -6.235 1.198 -6.374 1.00 0.00 N ATOM 90 CA GLU T 6 -5.485 1.007 -7.609 1.00 0.00 C ATOM 91 C GLU T 6 -5.477 2.284 -8.442 1.00 0.00 C ATOM 92 O GLU T 6 -6.161 3.255 -8.118 1.00 0.00 O ATOM 93 CB GLU T 6 -6.080 -0.147 -8.419 1.00 0.00 C ATOM 94 CG GLU T 6 -5.500 -0.282 -9.817 1.00 0.00 C ATOM 95 CD GLU T 6 -6.124 -1.423 -10.597 1.00 0.00 C ATOM 96 OE1 GLU T 6 -5.826 -2.593 -10.278 1.00 0.00 O ATOM 97 OE2 GLU T 6 -6.912 -1.146 -11.525 1.00 0.00 O ATOM 0 H GLU T 6 -7.202 1.494 -6.509 1.00 0.00 H new ATOM 0 HA GLU T 6 -4.456 0.761 -7.347 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -5.918 -1.079 -7.878 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -7.158 -0.006 -8.496 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -5.650 0.651 -10.361 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -4.424 -0.440 -9.747 1.00 0.00 H new ATOM 104 N ALA T 7 -4.700 2.271 -9.516 1.00 0.00 N ATOM 105 CA ALA T 7 -4.597 3.426 -10.401 1.00 0.00 C ATOM 106 C ALA T 7 -5.781 3.488 -11.359 1.00 0.00 C ATOM 107 O ALA T 7 -6.445 2.481 -11.608 1.00 0.00 O ATOM 108 CB ALA T 7 -3.291 3.382 -11.178 1.00 0.00 C ATOM 0 H ALA T 7 -4.130 1.473 -9.797 1.00 0.00 H new ATOM 0 HA ALA T 7 -4.610 4.326 -9.786 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -3.229 4.250 -11.834 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.453 3.392 -10.481 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -3.254 2.472 -11.776 1.00 0.00 H new ATOM 114 N ARG T 8 -6.040 4.676 -11.896 1.00 0.00 N ATOM 115 CA ARG T 8 -7.145 4.868 -12.827 1.00 0.00 C ATOM 116 C ARG T 8 -6.958 4.009 -14.073 1.00 0.00 C ATOM 117 O ARG T 8 -7.929 3.628 -14.728 1.00 0.00 O ATOM 118 CB ARG T 8 -7.258 6.342 -13.220 1.00 0.00 C ATOM 119 CG ARG T 8 -7.961 7.200 -12.181 1.00 0.00 C ATOM 120 CD ARG T 8 -9.468 7.199 -12.377 1.00 0.00 C ATOM 121 NE ARG T 8 -9.876 8.070 -13.475 1.00 0.00 N ATOM 122 CZ ARG T 8 -11.063 8.001 -14.069 1.00 0.00 C ATOM 123 NH1 ARG T 8 -11.955 7.104 -13.671 1.00 0.00 N ATOM 124 NH2 ARG T 8 -11.359 8.829 -15.061 1.00 0.00 N ATOM 0 H ARG T 8 -5.500 5.519 -11.702 1.00 0.00 H new ATOM 0 HA ARG T 8 -8.066 4.562 -12.330 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -6.258 6.741 -13.391 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -7.797 6.417 -14.165 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -7.724 6.831 -11.183 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -7.587 8.222 -12.240 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -9.807 6.182 -12.575 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -9.954 7.524 -11.457 1.00 0.00 H new ATOM 0 HE ARG T 8 -9.213 8.771 -13.805 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -11.731 6.466 -12.908 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -12.865 7.053 -14.128 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -10.675 9.520 -15.369 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -12.270 8.775 -15.516 1.00 0.00 H new ATOM 138 N SER T 9 -5.705 3.706 -14.393 1.00 0.00 N ATOM 139 CA SER T 9 -5.390 2.890 -15.560 1.00 0.00 C ATOM 140 C SER T 9 -5.309 1.417 -15.184 1.00 0.00 C ATOM 141 O SER T 9 -5.927 0.567 -15.825 1.00 0.00 O ATOM 142 CB SER T 9 -4.069 3.344 -16.186 1.00 0.00 C ATOM 143 OG SER T 9 -4.020 3.019 -17.564 1.00 0.00 O ATOM 0 H SER T 9 -4.891 4.013 -13.861 1.00 0.00 H new ATOM 0 HA SER T 9 -6.190 3.017 -16.289 1.00 0.00 H new ATOM 0 HB2 SER T 9 -3.953 4.420 -16.059 1.00 0.00 H new ATOM 0 HB3 SER T 9 -3.235 2.870 -15.667 1.00 0.00 H new ATOM 0 HG SER T 9 -3.167 3.321 -17.941 1.00 0.00 H new ATOM 149 N GLY T 10 -4.540 1.121 -14.144 1.00 0.00 N ATOM 150 CA GLY T 10 -4.387 -0.247 -13.699 1.00 0.00 C ATOM 151 C GLY T 10 -3.437 -0.370 -12.523 1.00 0.00 C ATOM 152 O GLY T 10 -2.788 0.601 -12.136 1.00 0.00 O ATOM 0 H GLY T 10 -4.018 1.808 -13.600 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -5.362 -0.646 -13.418 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -4.019 -0.856 -14.525 1.00 0.00 H new ATOM 156 N LYS T 11 -3.353 -1.570 -11.957 1.00 0.00 N ATOM 157 CA LYS T 11 -2.474 -1.820 -10.819 1.00 0.00 C ATOM 158 C LYS T 11 -1.011 -1.681 -11.226 1.00 0.00 C ATOM 159 O LYS T 11 -0.677 -1.724 -12.411 1.00 0.00 O ATOM 160 CB LYS T 11 -2.725 -3.217 -10.250 1.00 0.00 C ATOM 161 CG LYS T 11 -1.989 -3.479 -8.945 1.00 0.00 C ATOM 162 CD LYS T 11 -2.308 -4.859 -8.392 1.00 0.00 C ATOM 163 CE LYS T 11 -1.267 -5.884 -8.812 1.00 0.00 C ATOM 164 NZ LYS T 11 -1.825 -7.265 -8.837 1.00 0.00 N ATOM 0 H LYS T 11 -3.883 -2.385 -12.267 1.00 0.00 H new ATOM 0 HA LYS T 11 -2.694 -1.079 -10.051 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -3.795 -3.348 -10.088 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -2.420 -3.961 -10.986 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -0.915 -3.391 -9.108 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -2.264 -2.720 -8.212 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -2.356 -4.813 -7.304 1.00 0.00 H new ATOM 0 HD3 LYS T 11 -3.291 -5.174 -8.742 1.00 0.00 H new ATOM 0 HE2 LYS T 11 -0.885 -5.629 -9.800 1.00 0.00 H new ATOM 0 HE3 LYS T 11 -0.422 -5.846 -8.124 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 -1.084 -7.934 -9.128 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -2.167 -7.519 -7.888 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 -2.615 -7.308 -9.512 1.00 0.00 H new ATOM 178 N TYR T 12 -0.140 -1.515 -10.235 1.00 0.00 N ATOM 179 CA TYR T 12 1.289 -1.371 -10.487 1.00 0.00 C ATOM 180 C TYR T 12 1.559 -0.219 -11.450 1.00 0.00 C ATOM 181 O TYR T 12 2.222 -0.394 -12.473 1.00 0.00 O ATOM 182 CB TYR T 12 1.862 -2.673 -11.053 1.00 0.00 C ATOM 183 CG TYR T 12 2.040 -3.762 -10.017 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.651 -3.566 -8.696 1.00 0.00 C ATOM 185 CD2 TYR T 12 2.597 -4.988 -10.360 1.00 0.00 C ATOM 186 CE1 TYR T 12 1.814 -4.560 -7.749 1.00 0.00 C ATOM 187 CE2 TYR T 12 2.763 -5.986 -9.419 1.00 0.00 C ATOM 188 CZ TYR T 12 2.370 -5.768 -8.116 1.00 0.00 C ATOM 189 OH TYR T 12 2.533 -6.760 -7.177 1.00 0.00 O ATOM 0 H TYR T 12 -0.400 -1.477 -9.249 1.00 0.00 H new ATOM 0 HA TYR T 12 1.780 -1.149 -9.539 1.00 0.00 H new ATOM 0 HB2 TYR T 12 1.202 -3.038 -11.840 1.00 0.00 H new ATOM 0 HB3 TYR T 12 2.826 -2.464 -11.516 1.00 0.00 H new ATOM 0 HD1 TYR T 12 1.214 -2.622 -8.405 1.00 0.00 H new ATOM 0 HD2 TYR T 12 2.906 -5.164 -11.380 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.508 -4.392 -6.727 1.00 0.00 H new ATOM 0 HE2 TYR T 12 3.199 -6.933 -9.703 1.00 0.00 H new ATOM 0 HH TYR T 12 2.937 -7.547 -7.599 1.00 0.00 H new ATOM 199 N LYS T 13 1.043 0.959 -11.114 1.00 0.00 N ATOM 200 CA LYS T 13 1.229 2.142 -11.947 1.00 0.00 C ATOM 201 C LYS T 13 1.118 3.414 -11.111 1.00 0.00 C ATOM 202 O LYS T 13 1.177 4.524 -11.639 1.00 0.00 O ATOM 203 CB LYS T 13 0.193 2.167 -13.073 1.00 0.00 C ATOM 204 CG LYS T 13 0.579 1.319 -14.275 1.00 0.00 C ATOM 205 CD LYS T 13 0.199 1.997 -15.581 1.00 0.00 C ATOM 206 CE LYS T 13 -1.037 1.363 -16.201 1.00 0.00 C ATOM 207 NZ LYS T 13 -1.114 1.612 -17.666 1.00 0.00 N ATOM 0 H LYS T 13 0.493 1.120 -10.270 1.00 0.00 H new ATOM 0 HA LYS T 13 2.227 2.098 -12.383 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -0.763 1.817 -12.684 1.00 0.00 H new ATOM 0 HB3 LYS T 13 0.047 3.197 -13.398 1.00 0.00 H new ATOM 0 HG2 LYS T 13 1.653 1.132 -14.260 1.00 0.00 H new ATOM 0 HG3 LYS T 13 0.086 0.349 -14.211 1.00 0.00 H new ATOM 0 HD2 LYS T 13 0.014 3.056 -15.402 1.00 0.00 H new ATOM 0 HD3 LYS T 13 1.032 1.933 -16.281 1.00 0.00 H new ATOM 0 HE2 LYS T 13 -1.026 0.289 -16.016 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -1.930 1.760 -15.718 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -1.970 1.164 -18.050 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 -1.151 2.636 -17.843 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 -0.275 1.210 -18.131 1.00 0.00 H new ATOM 221 N LEU T 14 0.958 3.242 -9.803 1.00 0.00 N ATOM 222 CA LEU T 14 0.839 4.372 -8.889 1.00 0.00 C ATOM 223 C LEU T 14 2.145 4.609 -8.142 1.00 0.00 C ATOM 224 O LEU T 14 2.745 3.677 -7.605 1.00 0.00 O ATOM 225 CB LEU T 14 -0.292 4.126 -7.892 1.00 0.00 C ATOM 226 CG LEU T 14 -1.680 4.569 -8.356 1.00 0.00 C ATOM 227 CD1 LEU T 14 -2.760 3.802 -7.611 1.00 0.00 C ATOM 228 CD2 LEU T 14 -1.853 6.068 -8.163 1.00 0.00 C ATOM 0 H LEU T 14 0.908 2.329 -9.351 1.00 0.00 H new ATOM 0 HA LEU T 14 0.613 5.261 -9.477 1.00 0.00 H new ATOM 0 HB2 LEU T 14 -0.327 3.061 -7.662 1.00 0.00 H new ATOM 0 HB3 LEU T 14 -0.055 4.645 -6.963 1.00 0.00 H new ATOM 0 HG LEU T 14 -1.776 4.348 -9.419 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -3.741 4.130 -7.954 1.00 0.00 H new ATOM 0 HD12 LEU T 14 -2.647 2.735 -7.803 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -2.668 3.990 -6.541 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -2.846 6.366 -8.498 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -1.737 6.315 -7.108 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -1.099 6.599 -8.744 1.00 0.00 H new ATOM 240 N THR T 15 2.575 5.864 -8.107 1.00 0.00 N ATOM 241 CA THR T 15 3.805 6.231 -7.419 1.00 0.00 C ATOM 242 C THR T 15 3.493 6.896 -6.085 1.00 0.00 C ATOM 243 O THR T 15 2.469 7.558 -5.943 1.00 0.00 O ATOM 244 CB THR T 15 4.662 7.189 -8.269 1.00 0.00 C ATOM 245 OG1 THR T 15 4.031 8.472 -8.347 1.00 0.00 O ATOM 246 CG2 THR T 15 4.866 6.634 -9.670 1.00 0.00 C ATOM 0 H THR T 15 2.089 6.645 -8.548 1.00 0.00 H new ATOM 0 HA THR T 15 4.367 5.312 -7.250 1.00 0.00 H new ATOM 0 HB THR T 15 5.636 7.291 -7.790 1.00 0.00 H new ATOM 0 HG1 THR T 15 4.583 9.076 -8.887 1.00 0.00 H new ATOM 0 HG21 THR T 15 5.474 7.328 -10.251 1.00 0.00 H new ATOM 0 HG22 THR T 15 5.372 5.671 -9.610 1.00 0.00 H new ATOM 0 HG23 THR T 15 3.898 6.505 -10.155 1.00 0.00 H new ATOM 254 N TYR T 16 4.376 6.713 -5.111 1.00 0.00 N ATOM 255 CA TYR T 16 4.182 7.301 -3.790 1.00 0.00 C ATOM 256 C TYR T 16 3.523 8.673 -3.895 1.00 0.00 C ATOM 257 O TYR T 16 2.683 9.035 -3.071 1.00 0.00 O ATOM 258 CB TYR T 16 5.518 7.425 -3.061 1.00 0.00 C ATOM 259 CG TYR T 16 5.421 8.170 -1.751 1.00 0.00 C ATOM 260 CD1 TYR T 16 4.906 7.554 -0.617 1.00 0.00 C ATOM 261 CD2 TYR T 16 5.842 9.489 -1.650 1.00 0.00 C ATOM 262 CE1 TYR T 16 4.814 8.233 0.583 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.754 10.175 -0.453 1.00 0.00 C ATOM 264 CZ TYR T 16 5.239 9.543 0.659 1.00 0.00 C ATOM 265 OH TYR T 16 5.150 10.224 1.851 1.00 0.00 O ATOM 0 H TYR T 16 5.230 6.165 -5.209 1.00 0.00 H new ATOM 0 HA TYR T 16 3.525 6.642 -3.223 1.00 0.00 H new ATOM 0 HB2 TYR T 16 5.915 6.427 -2.874 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.231 7.936 -3.709 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.572 6.528 -0.674 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.244 9.987 -2.520 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.412 7.741 1.456 1.00 0.00 H new ATOM 0 HE2 TYR T 16 6.087 11.200 -0.389 1.00 0.00 H new ATOM 0 HH TYR T 16 5.492 11.135 1.734 1.00 0.00 H new ATOM 275 N ALA T 17 3.914 9.431 -4.914 1.00 0.00 N ATOM 276 CA ALA T 17 3.367 10.765 -5.131 1.00 0.00 C ATOM 277 C ALA T 17 1.928 10.703 -5.637 1.00 0.00 C ATOM 278 O ALA T 17 1.063 11.435 -5.156 1.00 0.00 O ATOM 279 CB ALA T 17 4.243 11.538 -6.104 1.00 0.00 C ATOM 0 H ALA T 17 4.609 9.144 -5.603 1.00 0.00 H new ATOM 0 HA ALA T 17 3.357 11.286 -4.173 1.00 0.00 H new ATOM 0 HB1 ALA T 17 3.825 12.533 -6.259 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.250 11.627 -5.696 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.283 11.009 -7.056 1.00 0.00 H new ATOM 285 N GLU T 18 1.673 9.823 -6.603 1.00 0.00 N ATOM 286 CA GLU T 18 0.338 9.671 -7.159 1.00 0.00 C ATOM 287 C GLU T 18 -0.572 8.962 -6.165 1.00 0.00 C ATOM 288 O GLU T 18 -1.692 9.399 -5.903 1.00 0.00 O ATOM 289 CB GLU T 18 0.406 8.880 -8.464 1.00 0.00 C ATOM 290 CG GLU T 18 1.255 9.547 -9.533 1.00 0.00 C ATOM 291 CD GLU T 18 1.410 8.690 -10.775 1.00 0.00 C ATOM 292 OE1 GLU T 18 1.710 7.486 -10.632 1.00 0.00 O ATOM 293 OE2 GLU T 18 1.230 9.224 -11.890 1.00 0.00 O ATOM 0 H GLU T 18 2.375 9.207 -7.014 1.00 0.00 H new ATOM 0 HA GLU T 18 -0.073 10.660 -7.362 1.00 0.00 H new ATOM 0 HB2 GLU T 18 0.808 7.888 -8.258 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.604 8.741 -8.848 1.00 0.00 H new ATOM 0 HG2 GLU T 18 0.803 10.500 -9.808 1.00 0.00 H new ATOM 0 HG3 GLU T 18 2.241 9.768 -9.123 1.00 0.00 H new ATOM 300 N ALA T 19 -0.071 7.864 -5.612 1.00 0.00 N ATOM 301 CA ALA T 19 -0.816 7.079 -4.640 1.00 0.00 C ATOM 302 C ALA T 19 -1.356 7.962 -3.520 1.00 0.00 C ATOM 303 O ALA T 19 -2.515 7.844 -3.125 1.00 0.00 O ATOM 304 CB ALA T 19 0.075 5.988 -4.068 1.00 0.00 C ATOM 0 H ALA T 19 0.856 7.496 -5.824 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.666 6.621 -5.145 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.488 5.403 -3.341 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.415 5.336 -4.873 1.00 0.00 H new ATOM 0 HB3 ALA T 19 0.938 6.441 -3.580 1.00 0.00 H new ATOM 310 N LYS T 20 -0.503 8.845 -3.013 1.00 0.00 N ATOM 311 CA LYS T 20 -0.882 9.753 -1.940 1.00 0.00 C ATOM 312 C LYS T 20 -1.868 10.800 -2.436 1.00 0.00 C ATOM 313 O LYS T 20 -2.884 11.061 -1.797 1.00 0.00 O ATOM 314 CB LYS T 20 0.362 10.439 -1.380 1.00 0.00 C ATOM 315 CG LYS T 20 0.186 10.966 0.036 1.00 0.00 C ATOM 316 CD LYS T 20 1.511 11.019 0.780 1.00 0.00 C ATOM 317 CE LYS T 20 2.002 12.449 0.947 1.00 0.00 C ATOM 318 NZ LYS T 20 1.936 12.899 2.364 1.00 0.00 N ATOM 0 H LYS T 20 0.460 8.950 -3.331 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.364 9.173 -1.153 1.00 0.00 H new ATOM 0 HB2 LYS T 20 1.193 9.733 -1.395 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.635 11.267 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS T 20 -0.254 11.963 0.002 1.00 0.00 H new ATOM 0 HG3 LYS T 20 -0.512 10.328 0.579 1.00 0.00 H new ATOM 0 HD2 LYS T 20 1.397 10.556 1.760 1.00 0.00 H new ATOM 0 HD3 LYS T 20 2.257 10.438 0.238 1.00 0.00 H new ATOM 0 HE2 LYS T 20 3.029 12.524 0.590 1.00 0.00 H new ATOM 0 HE3 LYS T 20 1.400 13.114 0.327 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 2.279 13.878 2.434 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 0.952 12.853 2.697 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 2.530 12.281 2.953 1.00 0.00 H new ATOM 332 N ALA T 21 -1.556 11.398 -3.576 1.00 0.00 N ATOM 333 CA ALA T 21 -2.413 12.425 -4.162 1.00 0.00 C ATOM 334 C ALA T 21 -3.876 11.996 -4.162 1.00 0.00 C ATOM 335 O ALA T 21 -4.757 12.761 -3.769 1.00 0.00 O ATOM 336 CB ALA T 21 -1.958 12.749 -5.578 1.00 0.00 C ATOM 0 H ALA T 21 -0.716 11.192 -4.116 1.00 0.00 H new ATOM 0 HA ALA T 21 -2.327 13.321 -3.548 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -2.606 13.516 -6.002 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -0.931 13.114 -5.556 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -2.011 11.850 -6.192 1.00 0.00 H new ATOM 342 N VAL T 22 -4.129 10.772 -4.609 1.00 0.00 N ATOM 343 CA VAL T 22 -5.488 10.243 -4.666 1.00 0.00 C ATOM 344 C VAL T 22 -6.057 10.021 -3.271 1.00 0.00 C ATOM 345 O VAL T 22 -7.142 10.506 -2.946 1.00 0.00 O ATOM 346 CB VAL T 22 -5.542 8.917 -5.449 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.776 8.115 -5.064 1.00 0.00 C ATOM 348 CG2 VAL T 22 -5.512 9.178 -6.946 1.00 0.00 C ATOM 0 H VAL T 22 -3.411 10.126 -4.938 1.00 0.00 H new ATOM 0 HA VAL T 22 -6.093 10.988 -5.183 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.662 8.329 -5.189 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.795 7.183 -5.628 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.747 7.893 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.671 8.694 -5.290 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -5.551 8.229 -7.482 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -6.371 9.788 -7.226 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.593 9.704 -7.205 1.00 0.00 H new ATOM 358 N CYS T 23 -5.321 9.284 -2.453 1.00 0.00 N ATOM 359 CA CYS T 23 -5.748 8.992 -1.093 1.00 0.00 C ATOM 360 C CYS T 23 -5.930 10.278 -0.293 1.00 0.00 C ATOM 361 O CYS T 23 -6.857 10.397 0.509 1.00 0.00 O ATOM 362 CB CYS T 23 -4.727 8.085 -0.412 1.00 0.00 C ATOM 363 SG CYS T 23 -4.632 6.412 -1.126 1.00 0.00 S ATOM 0 H CYS T 23 -4.422 8.876 -2.709 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.709 8.480 -1.134 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -3.744 8.552 -0.473 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -4.976 8.004 0.646 1.00 0.00 H new ATOM 368 N GLU T 24 -5.041 11.237 -0.520 1.00 0.00 N ATOM 369 CA GLU T 24 -5.097 12.519 0.174 1.00 0.00 C ATOM 370 C GLU T 24 -5.947 13.520 -0.606 1.00 0.00 C ATOM 371 O GLU T 24 -6.156 14.650 -0.167 1.00 0.00 O ATOM 372 CB GLU T 24 -3.686 13.074 0.374 1.00 0.00 C ATOM 373 CG GLU T 24 -3.640 14.345 1.208 1.00 0.00 C ATOM 374 CD GLU T 24 -2.272 14.600 1.810 1.00 0.00 C ATOM 375 OE1 GLU T 24 -1.571 13.618 2.128 1.00 0.00 O ATOM 376 OE2 GLU T 24 -1.902 15.784 1.960 1.00 0.00 O ATOM 0 H GLU T 24 -4.270 11.151 -1.182 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.558 12.360 1.149 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -3.071 12.313 0.854 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -3.242 13.274 -0.601 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -3.922 15.194 0.585 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -4.378 14.277 2.008 1.00 0.00 H new ATOM 383 N PHE T 25 -6.427 13.091 -1.767 1.00 0.00 N ATOM 384 CA PHE T 25 -7.251 13.938 -2.620 1.00 0.00 C ATOM 385 C PHE T 25 -8.516 14.392 -1.903 1.00 0.00 C ATOM 386 O PHE T 25 -8.866 15.572 -1.926 1.00 0.00 O ATOM 387 CB PHE T 25 -7.627 13.185 -3.896 1.00 0.00 C ATOM 388 CG PHE T 25 -7.606 14.040 -5.127 1.00 0.00 C ATOM 389 CD1 PHE T 25 -6.405 14.408 -5.710 1.00 0.00 C ATOM 390 CD2 PHE T 25 -8.789 14.474 -5.704 1.00 0.00 C ATOM 391 CE1 PHE T 25 -6.381 15.194 -6.845 1.00 0.00 C ATOM 392 CE2 PHE T 25 -8.771 15.261 -6.840 1.00 0.00 C ATOM 393 CZ PHE T 25 -7.566 15.622 -7.412 1.00 0.00 C ATOM 0 H PHE T 25 -6.259 12.157 -2.141 1.00 0.00 H new ATOM 0 HA PHE T 25 -6.668 14.823 -2.873 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -6.939 12.351 -4.032 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -8.623 12.760 -3.776 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -5.476 14.076 -5.271 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -9.734 14.195 -5.262 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -5.437 15.474 -7.289 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -9.699 15.594 -7.281 1.00 0.00 H new ATOM 0 HZ PHE T 25 -7.551 16.237 -8.300 1.00 0.00 H new ATOM 403 N GLU T 26 -9.205 13.445 -1.280 1.00 0.00 N ATOM 404 CA GLU T 26 -10.444 13.746 -0.571 1.00 0.00 C ATOM 405 C GLU T 26 -10.199 13.962 0.918 1.00 0.00 C ATOM 406 O GLU T 26 -10.745 13.249 1.761 1.00 0.00 O ATOM 407 CB GLU T 26 -11.451 12.621 -0.787 1.00 0.00 C ATOM 408 CG GLU T 26 -11.645 12.269 -2.251 1.00 0.00 C ATOM 409 CD GLU T 26 -12.635 11.139 -2.455 1.00 0.00 C ATOM 410 OE1 GLU T 26 -13.757 11.228 -1.913 1.00 0.00 O ATOM 411 OE2 GLU T 26 -12.290 10.167 -3.157 1.00 0.00 O ATOM 0 H GLU T 26 -8.929 12.464 -1.250 1.00 0.00 H new ATOM 0 HA GLU T 26 -10.849 14.674 -0.975 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -11.118 11.735 -0.247 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.410 12.913 -0.359 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -11.991 13.151 -2.790 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.685 11.988 -2.683 1.00 0.00 H new ATOM 418 N GLY T 27 -9.385 14.962 1.228 1.00 0.00 N ATOM 419 CA GLY T 27 -9.082 15.282 2.611 1.00 0.00 C ATOM 420 C GLY T 27 -8.605 14.075 3.395 1.00 0.00 C ATOM 421 O GLY T 27 -8.689 14.051 4.623 1.00 0.00 O ATOM 0 H GLY T 27 -8.926 15.561 0.542 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -8.316 16.057 2.642 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -9.971 15.693 3.089 1.00 0.00 H new ATOM 425 N GLY T 28 -8.097 13.076 2.686 1.00 0.00 N ATOM 426 CA GLY T 28 -7.605 11.876 3.335 1.00 0.00 C ATOM 427 C GLY T 28 -6.112 11.731 3.164 1.00 0.00 C ATOM 428 O GLY T 28 -5.411 12.708 2.903 1.00 0.00 O ATOM 0 H GLY T 28 -8.017 13.075 1.669 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -7.850 11.908 4.397 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -8.107 11.003 2.918 1.00 0.00 H new ATOM 432 N HIS T 29 -5.625 10.509 3.306 1.00 0.00 N ATOM 433 CA HIS T 29 -4.205 10.234 3.154 1.00 0.00 C ATOM 434 C HIS T 29 -3.977 8.788 2.758 1.00 0.00 C ATOM 435 O HIS T 29 -4.923 8.022 2.579 1.00 0.00 O ATOM 436 CB HIS T 29 -3.436 10.554 4.438 1.00 0.00 C ATOM 437 CG HIS T 29 -3.369 9.414 5.411 1.00 0.00 C ATOM 438 ND1 HIS T 29 -2.357 8.478 5.395 1.00 0.00 N ATOM 439 CD2 HIS T 29 -4.180 9.069 6.443 1.00 0.00 C ATOM 440 CE1 HIS T 29 -2.545 7.610 6.372 1.00 0.00 C ATOM 441 NE2 HIS T 29 -3.641 7.946 7.023 1.00 0.00 N ATOM 0 H HIS T 29 -6.193 9.691 3.527 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.829 10.880 2.361 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -2.421 10.854 4.176 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -3.905 11.408 4.927 1.00 0.00 H new ATOM 0 HD1 HIS T 29 -1.583 8.459 4.731 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -5.080 9.581 6.751 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -1.909 6.767 6.599 1.00 0.00 H new ATOM 0 HE2 HIS T 29 -4.027 7.452 7.828 1.00 0.00 H new ATOM 450 N LEU T 30 -2.713 8.423 2.624 1.00 0.00 N ATOM 451 CA LEU T 30 -2.355 7.066 2.249 1.00 0.00 C ATOM 452 C LEU T 30 -1.868 6.286 3.460 1.00 0.00 C ATOM 453 O LEU T 30 -0.953 6.709 4.166 1.00 0.00 O ATOM 454 CB LEU T 30 -1.303 7.071 1.141 1.00 0.00 C ATOM 455 CG LEU T 30 0.013 6.363 1.465 1.00 0.00 C ATOM 456 CD1 LEU T 30 -0.013 4.936 0.942 1.00 0.00 C ATOM 457 CD2 LEU T 30 1.190 7.129 0.875 1.00 0.00 C ATOM 0 H LEU T 30 -1.919 9.046 2.769 1.00 0.00 H new ATOM 0 HA LEU T 30 -3.246 6.570 1.864 1.00 0.00 H new ATOM 0 HB2 LEU T 30 -1.735 6.606 0.255 1.00 0.00 H new ATOM 0 HB3 LEU T 30 -1.082 8.106 0.882 1.00 0.00 H new ATOM 0 HG LEU T 30 0.134 6.332 2.548 1.00 0.00 H new ATOM 0 HD11 LEU T 30 0.930 4.444 1.180 1.00 0.00 H new ATOM 0 HD12 LEU T 30 -0.834 4.392 1.409 1.00 0.00 H new ATOM 0 HD13 LEU T 30 -0.154 4.947 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU T 30 2.118 6.611 1.115 1.00 0.00 H new ATOM 0 HD22 LEU T 30 1.078 7.190 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU T 30 1.217 8.135 1.295 1.00 0.00 H new ATOM 469 N ALA T 31 -2.507 5.151 3.698 1.00 0.00 N ATOM 470 CA ALA T 31 -2.172 4.300 4.831 1.00 0.00 C ATOM 471 C ALA T 31 -0.665 4.107 4.960 1.00 0.00 C ATOM 472 O ALA T 31 0.078 4.270 3.991 1.00 0.00 O ATOM 473 CB ALA T 31 -2.870 2.956 4.709 1.00 0.00 C ATOM 0 H ALA T 31 -3.266 4.795 3.117 1.00 0.00 H new ATOM 0 HA ALA T 31 -2.521 4.799 5.735 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.609 2.332 5.564 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -3.949 3.107 4.686 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -2.553 2.464 3.790 1.00 0.00 H new ATOM 479 N THR T 32 -0.220 3.762 6.163 1.00 0.00 N ATOM 480 CA THR T 32 1.198 3.548 6.424 1.00 0.00 C ATOM 481 C THR T 32 1.495 2.082 6.698 1.00 0.00 C ATOM 482 O THR T 32 0.685 1.205 6.398 1.00 0.00 O ATOM 483 CB THR T 32 1.677 4.369 7.634 1.00 0.00 C ATOM 484 OG1 THR T 32 1.170 3.792 8.846 1.00 0.00 O ATOM 485 CG2 THR T 32 1.223 5.814 7.521 1.00 0.00 C ATOM 0 H THR T 32 -0.823 3.624 6.974 1.00 0.00 H new ATOM 0 HA THR T 32 1.728 3.871 5.528 1.00 0.00 H new ATOM 0 HB THR T 32 2.767 4.351 7.652 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.479 4.318 9.613 1.00 0.00 H new ATOM 0 HG21 THR T 32 1.574 6.374 8.388 1.00 0.00 H new ATOM 0 HG22 THR T 32 1.635 6.255 6.613 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.134 5.851 7.481 1.00 0.00 H new ATOM 493 N TYR T 33 2.657 1.831 7.284 1.00 0.00 N ATOM 494 CA TYR T 33 3.066 0.474 7.622 1.00 0.00 C ATOM 495 C TYR T 33 2.303 -0.008 8.844 1.00 0.00 C ATOM 496 O TYR T 33 1.465 -0.906 8.760 1.00 0.00 O ATOM 497 CB TYR T 33 4.567 0.423 7.903 1.00 0.00 C ATOM 498 CG TYR T 33 5.048 -0.898 8.459 1.00 0.00 C ATOM 499 CD1 TYR T 33 4.987 -2.059 7.697 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.562 -0.984 9.747 1.00 0.00 C ATOM 501 CE1 TYR T 33 5.425 -3.266 8.203 1.00 0.00 C ATOM 502 CE2 TYR T 33 6.003 -2.190 10.259 1.00 0.00 C ATOM 503 CZ TYR T 33 5.931 -3.328 9.484 1.00 0.00 C ATOM 504 OH TYR T 33 6.368 -4.530 9.990 1.00 0.00 O ATOM 0 H TYR T 33 3.335 2.550 7.536 1.00 0.00 H new ATOM 0 HA TYR T 33 2.843 -0.176 6.776 1.00 0.00 H new ATOM 0 HB2 TYR T 33 5.106 0.634 6.979 1.00 0.00 H new ATOM 0 HB3 TYR T 33 4.821 1.215 8.607 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.591 -2.016 6.693 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.618 -0.095 10.358 1.00 0.00 H new ATOM 0 HE1 TYR T 33 5.372 -4.159 7.598 1.00 0.00 H new ATOM 0 HE2 TYR T 33 6.402 -2.241 11.261 1.00 0.00 H new ATOM 0 HH TYR T 33 6.695 -4.400 10.905 1.00 0.00 H new ATOM 514 N LYS T 34 2.602 0.606 9.979 1.00 0.00 N ATOM 515 CA LYS T 34 1.952 0.261 11.234 1.00 0.00 C ATOM 516 C LYS T 34 0.442 0.173 11.053 1.00 0.00 C ATOM 517 O LYS T 34 -0.194 -0.769 11.526 1.00 0.00 O ATOM 518 CB LYS T 34 2.291 1.293 12.311 1.00 0.00 C ATOM 519 CG LYS T 34 3.744 1.273 12.757 1.00 0.00 C ATOM 520 CD LYS T 34 3.865 1.403 14.267 1.00 0.00 C ATOM 521 CE LYS T 34 4.096 0.054 14.927 1.00 0.00 C ATOM 522 NZ LYS T 34 2.849 -0.758 14.981 1.00 0.00 N ATOM 0 H LYS T 34 3.295 1.350 10.056 1.00 0.00 H new ATOM 0 HA LYS T 34 2.321 -0.715 11.551 1.00 0.00 H new ATOM 0 HB2 LYS T 34 2.052 2.287 11.934 1.00 0.00 H new ATOM 0 HB3 LYS T 34 1.654 1.119 13.178 1.00 0.00 H new ATOM 0 HG2 LYS T 34 4.213 0.344 12.432 1.00 0.00 H new ATOM 0 HG3 LYS T 34 4.285 2.088 12.276 1.00 0.00 H new ATOM 0 HD2 LYS T 34 4.689 2.074 14.510 1.00 0.00 H new ATOM 0 HD3 LYS T 34 2.957 1.854 14.668 1.00 0.00 H new ATOM 0 HE2 LYS T 34 4.862 -0.493 14.377 1.00 0.00 H new ATOM 0 HE3 LYS T 34 4.475 0.204 15.938 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 3.048 -1.671 15.438 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 2.126 -0.248 15.527 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 2.500 -0.924 14.015 1.00 0.00 H new ATOM 536 N GLN T 35 -0.131 1.155 10.361 1.00 0.00 N ATOM 537 CA GLN T 35 -1.563 1.174 10.118 1.00 0.00 C ATOM 538 C GLN T 35 -1.981 -0.038 9.298 1.00 0.00 C ATOM 539 O GLN T 35 -2.921 -0.749 9.655 1.00 0.00 O ATOM 540 CB GLN T 35 -1.949 2.462 9.397 1.00 0.00 C ATOM 541 CG GLN T 35 -1.581 3.717 10.169 1.00 0.00 C ATOM 542 CD GLN T 35 -1.496 4.945 9.288 1.00 0.00 C ATOM 543 OE1 GLN T 35 -2.134 5.017 8.237 1.00 0.00 O ATOM 544 NE2 GLN T 35 -0.705 5.923 9.713 1.00 0.00 N ATOM 0 H GLN T 35 0.377 1.944 9.961 1.00 0.00 H new ATOM 0 HA GLN T 35 -2.083 1.135 11.075 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.459 2.486 8.424 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -3.023 2.459 9.213 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -2.321 3.887 10.951 1.00 0.00 H new ATOM 0 HG3 GLN T 35 -0.623 3.565 10.665 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -0.195 5.821 10.590 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -0.608 6.776 9.162 1.00 0.00 H new ATOM 553 N LEU T 36 -1.267 -0.276 8.203 1.00 0.00 N ATOM 554 CA LEU T 36 -1.560 -1.414 7.342 1.00 0.00 C ATOM 555 C LEU T 36 -1.546 -2.702 8.154 1.00 0.00 C ATOM 556 O LEU T 36 -2.253 -3.658 7.838 1.00 0.00 O ATOM 557 CB LEU T 36 -0.545 -1.500 6.201 1.00 0.00 C ATOM 558 CG LEU T 36 -1.142 -1.468 4.793 1.00 0.00 C ATOM 559 CD1 LEU T 36 -1.946 -2.731 4.525 1.00 0.00 C ATOM 560 CD2 LEU T 36 -2.009 -0.233 4.613 1.00 0.00 C ATOM 0 H LEU T 36 -0.485 0.301 7.893 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.552 -1.277 6.912 1.00 0.00 H new ATOM 0 HB2 LEU T 36 0.158 -0.673 6.299 1.00 0.00 H new ATOM 0 HB3 LEU T 36 0.028 -2.420 6.314 1.00 0.00 H new ATOM 0 HG LEU T 36 -0.326 -1.424 4.072 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -2.363 -2.690 3.519 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -1.296 -3.602 4.614 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -2.756 -2.808 5.250 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -2.426 -0.225 3.606 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -2.820 -0.248 5.342 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -1.404 0.661 4.762 1.00 0.00 H new ATOM 572 N GLU T 37 -0.739 -2.711 9.212 1.00 0.00 N ATOM 573 CA GLU T 37 -0.637 -3.872 10.085 1.00 0.00 C ATOM 574 C GLU T 37 -1.960 -4.115 10.795 1.00 0.00 C ATOM 575 O GLU T 37 -2.591 -5.158 10.624 1.00 0.00 O ATOM 576 CB GLU T 37 0.470 -3.662 11.117 1.00 0.00 C ATOM 577 CG GLU T 37 0.732 -4.884 11.980 1.00 0.00 C ATOM 578 CD GLU T 37 1.249 -4.525 13.359 1.00 0.00 C ATOM 579 OE1 GLU T 37 2.352 -3.946 13.449 1.00 0.00 O ATOM 580 OE2 GLU T 37 0.550 -4.821 14.351 1.00 0.00 O ATOM 0 H GLU T 37 -0.147 -1.926 9.484 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.395 -4.743 9.475 1.00 0.00 H new ATOM 0 HB2 GLU T 37 1.390 -3.387 10.601 1.00 0.00 H new ATOM 0 HB3 GLU T 37 0.203 -2.823 11.760 1.00 0.00 H new ATOM 0 HG2 GLU T 37 -0.189 -5.458 12.080 1.00 0.00 H new ATOM 0 HG3 GLU T 37 1.456 -5.528 11.481 1.00 0.00 H new ATOM 587 N ALA T 38 -2.370 -3.138 11.590 1.00 0.00 N ATOM 588 CA ALA T 38 -3.617 -3.225 12.333 1.00 0.00 C ATOM 589 C ALA T 38 -4.804 -3.395 11.394 1.00 0.00 C ATOM 590 O ALA T 38 -5.910 -3.719 11.826 1.00 0.00 O ATOM 591 CB ALA T 38 -3.802 -1.992 13.204 1.00 0.00 C ATOM 0 H ALA T 38 -1.853 -2.271 11.737 1.00 0.00 H new ATOM 0 HA ALA T 38 -3.567 -4.104 12.976 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -4.740 -2.072 13.754 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -2.974 -1.917 13.909 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -3.825 -1.102 12.575 1.00 0.00 H new ATOM 597 N ALA T 39 -4.563 -3.187 10.103 1.00 0.00 N ATOM 598 CA ALA T 39 -5.608 -3.330 9.098 1.00 0.00 C ATOM 599 C ALA T 39 -5.562 -4.724 8.500 1.00 0.00 C ATOM 600 O ALA T 39 -6.579 -5.278 8.086 1.00 0.00 O ATOM 601 CB ALA T 39 -5.445 -2.280 8.012 1.00 0.00 C ATOM 0 H ALA T 39 -3.653 -2.919 9.729 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.578 -3.183 9.573 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.233 -2.400 7.269 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -5.511 -1.286 8.454 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -4.473 -2.400 7.533 1.00 0.00 H new ATOM 607 N ARG T 40 -4.365 -5.286 8.472 1.00 0.00 N ATOM 608 CA ARG T 40 -4.149 -6.619 7.945 1.00 0.00 C ATOM 609 C ARG T 40 -4.697 -7.657 8.911 1.00 0.00 C ATOM 610 O ARG T 40 -5.189 -8.710 8.503 1.00 0.00 O ATOM 611 CB ARG T 40 -2.656 -6.843 7.735 1.00 0.00 C ATOM 612 CG ARG T 40 -2.286 -8.294 7.475 1.00 0.00 C ATOM 613 CD ARG T 40 -1.356 -8.837 8.548 1.00 0.00 C ATOM 614 NE ARG T 40 -1.508 -10.277 8.733 1.00 0.00 N ATOM 615 CZ ARG T 40 -0.650 -11.027 9.416 1.00 0.00 C ATOM 616 NH1 ARG T 40 0.419 -10.473 9.975 1.00 0.00 N ATOM 617 NH2 ARG T 40 -0.856 -12.331 9.540 1.00 0.00 N ATOM 0 H ARG T 40 -3.519 -4.830 8.814 1.00 0.00 H new ATOM 0 HA ARG T 40 -4.669 -6.718 6.992 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.321 -6.236 6.894 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -2.118 -6.492 8.616 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -3.192 -8.900 7.438 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -1.806 -8.378 6.500 1.00 0.00 H new ATOM 0 HD2 ARG T 40 -0.324 -8.614 8.278 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -1.556 -8.328 9.491 1.00 0.00 H new ATOM 0 HE ARG T 40 -2.319 -10.733 8.314 1.00 0.00 H new ATOM 0 HH11 ARG T 40 0.582 -9.471 9.880 1.00 0.00 H new ATOM 0 HH12 ARG T 40 1.077 -11.050 10.499 1.00 0.00 H new ATOM 0 HH21 ARG T 40 -1.675 -12.761 9.110 1.00 0.00 H new ATOM 0 HH22 ARG T 40 -0.195 -12.904 10.065 1.00 0.00 H new ATOM 631 N LYS T 41 -4.599 -7.351 10.201 1.00 0.00 N ATOM 632 CA LYS T 41 -5.074 -8.253 11.237 1.00 0.00 C ATOM 633 C LYS T 41 -6.597 -8.339 11.245 1.00 0.00 C ATOM 634 O LYS T 41 -7.170 -9.268 11.813 1.00 0.00 O ATOM 635 CB LYS T 41 -4.569 -7.802 12.608 1.00 0.00 C ATOM 636 CG LYS T 41 -3.088 -7.464 12.626 1.00 0.00 C ATOM 637 CD LYS T 41 -2.491 -7.646 14.011 1.00 0.00 C ATOM 638 CE LYS T 41 -0.990 -7.877 13.946 1.00 0.00 C ATOM 639 NZ LYS T 41 -0.328 -7.604 15.252 1.00 0.00 N ATOM 0 H LYS T 41 -4.194 -6.483 10.551 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.680 -9.245 11.019 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -5.137 -6.928 12.926 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -4.763 -8.590 13.335 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -2.560 -8.100 11.915 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -2.945 -6.434 12.300 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -2.698 -6.763 14.616 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -2.969 -8.491 14.506 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -0.794 -8.907 13.648 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -0.557 -7.235 13.179 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 0.429 -8.300 15.410 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 0.078 -6.647 15.242 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 -1.028 -7.675 16.018 1.00 0.00 H new ATOM 653 N ILE T 42 -7.250 -7.369 10.613 1.00 0.00 N ATOM 654 CA ILE T 42 -8.704 -7.348 10.554 1.00 0.00 C ATOM 655 C ILE T 42 -9.209 -8.151 9.362 1.00 0.00 C ATOM 656 O ILE T 42 -10.378 -8.534 9.307 1.00 0.00 O ATOM 657 CB ILE T 42 -9.234 -5.908 10.452 1.00 0.00 C ATOM 658 CG1 ILE T 42 -9.037 -5.377 9.034 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.529 -5.014 11.461 1.00 0.00 C ATOM 660 CD1 ILE T 42 -10.263 -4.697 8.464 1.00 0.00 C ATOM 0 H ILE T 42 -6.795 -6.590 10.136 1.00 0.00 H new ATOM 0 HA ILE T 42 -9.072 -7.798 11.476 1.00 0.00 H new ATOM 0 HB ILE T 42 -10.300 -5.907 10.679 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -8.207 -4.671 9.032 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -8.754 -6.203 8.382 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -8.914 -3.998 11.378 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.710 -5.389 12.468 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -7.458 -5.014 11.261 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -10.048 -4.346 7.455 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -11.091 -5.406 8.433 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.534 -3.849 9.093 1.00 0.00 H new ATOM 672 N GLY T 43 -8.317 -8.402 8.408 1.00 0.00 N ATOM 673 CA GLY T 43 -8.685 -9.157 7.227 1.00 0.00 C ATOM 674 C GLY T 43 -8.162 -8.518 5.956 1.00 0.00 C ATOM 675 O GLY T 43 -8.556 -8.903 4.855 1.00 0.00 O ATOM 0 H GLY T 43 -7.345 -8.095 8.434 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -8.295 -10.171 7.309 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -9.771 -9.237 7.172 1.00 0.00 H new ATOM 679 N PHE T 44 -7.274 -7.539 6.105 1.00 0.00 N ATOM 680 CA PHE T 44 -6.702 -6.850 4.954 1.00 0.00 C ATOM 681 C PHE T 44 -5.569 -7.667 4.340 1.00 0.00 C ATOM 682 O PHE T 44 -4.663 -8.115 5.042 1.00 0.00 O ATOM 683 CB PHE T 44 -6.193 -5.468 5.364 1.00 0.00 C ATOM 684 CG PHE T 44 -6.079 -4.498 4.221 1.00 0.00 C ATOM 685 CD1 PHE T 44 -6.317 -4.905 2.918 1.00 0.00 C ATOM 686 CD2 PHE T 44 -5.735 -3.175 4.452 1.00 0.00 C ATOM 687 CE1 PHE T 44 -6.215 -4.014 1.867 1.00 0.00 C ATOM 688 CE2 PHE T 44 -5.630 -2.279 3.404 1.00 0.00 C ATOM 689 CZ PHE T 44 -5.870 -2.699 2.111 1.00 0.00 C ATOM 0 H PHE T 44 -6.936 -7.206 7.008 1.00 0.00 H new ATOM 0 HA PHE T 44 -7.484 -6.731 4.204 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -6.865 -5.052 6.115 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -5.216 -5.576 5.835 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -6.586 -5.932 2.721 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -5.547 -2.840 5.462 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -6.405 -4.345 0.857 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -5.360 -1.251 3.597 1.00 0.00 H new ATOM 0 HZ PHE T 44 -5.788 -2.000 1.291 1.00 0.00 H new ATOM 699 N HIS T 45 -5.632 -7.862 3.027 1.00 0.00 N ATOM 700 CA HIS T 45 -4.615 -8.629 2.316 1.00 0.00 C ATOM 701 C HIS T 45 -4.394 -8.073 0.913 1.00 0.00 C ATOM 702 O HIS T 45 -5.336 -7.942 0.130 1.00 0.00 O ATOM 703 CB HIS T 45 -5.030 -10.102 2.237 1.00 0.00 C ATOM 704 CG HIS T 45 -4.099 -10.966 1.440 1.00 0.00 C ATOM 705 ND1 HIS T 45 -4.075 -12.341 1.547 1.00 0.00 N ATOM 706 CD2 HIS T 45 -3.159 -10.647 0.517 1.00 0.00 C ATOM 707 CE1 HIS T 45 -3.163 -12.829 0.726 1.00 0.00 C ATOM 708 NE2 HIS T 45 -2.593 -11.824 0.089 1.00 0.00 N ATOM 0 H HIS T 45 -6.377 -7.499 2.433 1.00 0.00 H new ATOM 0 HA HIS T 45 -3.678 -8.548 2.867 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.101 -10.502 3.249 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.027 -10.163 1.800 1.00 0.00 H new ATOM 0 HD1 HIS T 45 -4.669 -12.895 2.164 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -2.903 -9.653 0.181 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -2.924 -13.874 0.598 1.00 0.00 H new ATOM 717 N VAL T 46 -3.141 -7.753 0.598 1.00 0.00 N ATOM 718 CA VAL T 46 -2.798 -7.219 -0.714 1.00 0.00 C ATOM 719 C VAL T 46 -1.447 -7.748 -1.187 1.00 0.00 C ATOM 720 O VAL T 46 -0.399 -7.239 -0.793 1.00 0.00 O ATOM 721 CB VAL T 46 -2.755 -5.676 -0.712 1.00 0.00 C ATOM 722 CG1 VAL T 46 -3.151 -5.130 -2.074 1.00 0.00 C ATOM 723 CG2 VAL T 46 -3.659 -5.110 0.372 1.00 0.00 C ATOM 0 H VAL T 46 -2.349 -7.855 1.233 1.00 0.00 H new ATOM 0 HA VAL T 46 -3.580 -7.550 -1.397 1.00 0.00 H new ATOM 0 HB VAL T 46 -1.732 -5.365 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -3.115 -4.041 -2.054 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -2.460 -5.502 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -4.163 -5.455 -2.316 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -3.612 -4.021 0.353 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -4.685 -5.432 0.195 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -3.329 -5.471 1.346 1.00 0.00 H new ATOM 733 N CYS T 47 -1.481 -8.769 -2.038 1.00 0.00 N ATOM 734 CA CYS T 47 -0.258 -9.364 -2.568 1.00 0.00 C ATOM 735 C CYS T 47 0.466 -8.386 -3.487 1.00 0.00 C ATOM 736 O CYS T 47 1.524 -8.696 -4.034 1.00 0.00 O ATOM 737 CB CYS T 47 -0.579 -10.654 -3.326 1.00 0.00 C ATOM 738 SG CYS T 47 0.285 -12.125 -2.688 1.00 0.00 S ATOM 0 H CYS T 47 -2.341 -9.201 -2.375 1.00 0.00 H new ATOM 0 HA CYS T 47 0.396 -9.599 -1.729 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -1.654 -10.830 -3.283 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -0.319 -10.520 -4.376 1.00 0.00 H new ATOM 0 HG CYS T 47 -0.052 -13.165 -3.391 1.00 0.00 H new ATOM 743 N ALA T 48 -0.114 -7.201 -3.650 1.00 0.00 N ATOM 744 CA ALA T 48 0.469 -6.169 -4.498 1.00 0.00 C ATOM 745 C ALA T 48 1.154 -5.101 -3.655 1.00 0.00 C ATOM 746 O ALA T 48 0.665 -4.730 -2.588 1.00 0.00 O ATOM 747 CB ALA T 48 -0.604 -5.547 -5.378 1.00 0.00 C ATOM 0 H ALA T 48 -0.991 -6.932 -3.204 1.00 0.00 H new ATOM 0 HA ALA T 48 1.222 -6.630 -5.137 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.157 -4.777 -6.007 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -1.050 -6.317 -6.008 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.375 -5.100 -4.751 1.00 0.00 H new ATOM 753 N ALA T 49 2.290 -4.610 -4.139 1.00 0.00 N ATOM 754 CA ALA T 49 3.043 -3.585 -3.428 1.00 0.00 C ATOM 755 C ALA T 49 2.200 -2.335 -3.209 1.00 0.00 C ATOM 756 O ALA T 49 1.828 -1.651 -4.161 1.00 0.00 O ATOM 757 CB ALA T 49 4.313 -3.242 -4.191 1.00 0.00 C ATOM 0 H ALA T 49 2.709 -4.906 -5.021 1.00 0.00 H new ATOM 0 HA ALA T 49 3.315 -3.981 -2.450 1.00 0.00 H new ATOM 0 HB1 ALA T 49 4.867 -2.475 -3.650 1.00 0.00 H new ATOM 0 HB2 ALA T 49 4.931 -4.135 -4.289 1.00 0.00 H new ATOM 0 HB3 ALA T 49 4.053 -2.870 -5.182 1.00 0.00 H new ATOM 763 N GLY T 50 1.901 -2.039 -1.949 1.00 0.00 N ATOM 764 CA GLY T 50 1.103 -0.870 -1.630 1.00 0.00 C ATOM 765 C GLY T 50 1.907 0.219 -0.949 1.00 0.00 C ATOM 766 O GLY T 50 2.435 0.018 0.144 1.00 0.00 O ATOM 0 H GLY T 50 2.197 -2.588 -1.142 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.665 -0.473 -2.546 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.277 -1.165 -0.983 1.00 0.00 H new ATOM 770 N TRP T 51 2.004 1.373 -1.600 1.00 0.00 N ATOM 771 CA TRP T 51 2.754 2.500 -1.055 1.00 0.00 C ATOM 772 C TRP T 51 2.312 2.828 0.368 1.00 0.00 C ATOM 773 O TRP T 51 1.273 2.359 0.833 1.00 0.00 O ATOM 774 CB TRP T 51 2.579 3.729 -1.948 1.00 0.00 C ATOM 775 CG TRP T 51 3.464 3.709 -3.153 1.00 0.00 C ATOM 776 CD1 TRP T 51 3.087 3.477 -4.444 1.00 0.00 C ATOM 777 CD2 TRP T 51 4.878 3.927 -3.179 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.184 3.535 -5.273 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.294 3.811 -4.518 1.00 0.00 C ATOM 780 CE3 TRP T 51 5.833 4.210 -2.198 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.625 3.969 -4.900 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.152 4.366 -2.578 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.538 4.244 -3.919 1.00 0.00 C ATOM 0 H TRP T 51 1.572 1.553 -2.506 1.00 0.00 H new ATOM 0 HA TRP T 51 3.806 2.218 -1.027 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.539 3.792 -2.269 1.00 0.00 H new ATOM 0 HB3 TRP T 51 2.788 4.627 -1.366 1.00 0.00 H new ATOM 0 HD1 TRP T 51 2.076 3.277 -4.768 1.00 0.00 H new ATOM 0 HE1 TRP T 51 4.173 3.395 -6.283 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.545 4.305 -1.162 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 6.925 3.878 -5.933 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 7.898 4.586 -1.829 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.577 4.370 -4.184 1.00 0.00 H new ATOM 794 N MET T 52 3.111 3.643 1.050 1.00 0.00 N ATOM 795 CA MET T 52 2.814 4.050 2.419 1.00 0.00 C ATOM 796 C MET T 52 3.663 5.255 2.814 1.00 0.00 C ATOM 797 O MET T 52 4.547 5.674 2.066 1.00 0.00 O ATOM 798 CB MET T 52 3.057 2.894 3.391 1.00 0.00 C ATOM 799 CG MET T 52 4.151 1.935 2.949 1.00 0.00 C ATOM 800 SD MET T 52 4.482 0.645 4.165 1.00 0.00 S ATOM 801 CE MET T 52 3.058 -0.415 3.929 1.00 0.00 C ATOM 0 H MET T 52 3.974 4.036 0.674 1.00 0.00 H new ATOM 0 HA MET T 52 1.762 4.331 2.470 1.00 0.00 H new ATOM 0 HB2 MET T 52 3.318 3.302 4.367 1.00 0.00 H new ATOM 0 HB3 MET T 52 2.129 2.337 3.517 1.00 0.00 H new ATOM 0 HG2 MET T 52 3.863 1.473 2.005 1.00 0.00 H new ATOM 0 HG3 MET T 52 5.067 2.496 2.763 1.00 0.00 H new ATOM 0 HE1 MET T 52 2.992 -1.125 4.753 1.00 0.00 H new ATOM 0 HE2 MET T 52 2.153 0.192 3.900 1.00 0.00 H new ATOM 0 HE3 MET T 52 3.160 -0.958 2.989 1.00 0.00 H new ATOM 811 N ALA T 53 3.388 5.810 3.990 1.00 0.00 N ATOM 812 CA ALA T 53 4.125 6.970 4.481 1.00 0.00 C ATOM 813 C ALA T 53 5.632 6.742 4.414 1.00 0.00 C ATOM 814 O ALA T 53 6.092 5.618 4.215 1.00 0.00 O ATOM 815 CB ALA T 53 3.703 7.297 5.905 1.00 0.00 C ATOM 0 H ALA T 53 2.660 5.475 4.621 1.00 0.00 H new ATOM 0 HA ALA T 53 3.887 7.816 3.836 1.00 0.00 H new ATOM 0 HB1 ALA T 53 4.260 8.164 6.260 1.00 0.00 H new ATOM 0 HB2 ALA T 53 2.636 7.518 5.927 1.00 0.00 H new ATOM 0 HB3 ALA T 53 3.910 6.444 6.551 1.00 0.00 H new ATOM 821 N LYS T 54 6.393 7.821 4.585 1.00 0.00 N ATOM 822 CA LYS T 54 7.851 7.753 4.548 1.00 0.00 C ATOM 823 C LYS T 54 8.363 7.624 3.116 1.00 0.00 C ATOM 824 O LYS T 54 9.474 8.051 2.805 1.00 0.00 O ATOM 825 CB LYS T 54 8.354 6.578 5.390 1.00 0.00 C ATOM 826 CG LYS T 54 9.211 6.993 6.575 1.00 0.00 C ATOM 827 CD LYS T 54 8.454 6.878 7.888 1.00 0.00 C ATOM 828 CE LYS T 54 8.023 8.241 8.403 1.00 0.00 C ATOM 829 NZ LYS T 54 8.811 8.663 9.594 1.00 0.00 N ATOM 0 H LYS T 54 6.021 8.756 4.751 1.00 0.00 H new ATOM 0 HA LYS T 54 8.237 8.683 4.967 1.00 0.00 H new ATOM 0 HB2 LYS T 54 7.497 6.011 5.754 1.00 0.00 H new ATOM 0 HB3 LYS T 54 8.932 5.908 4.753 1.00 0.00 H new ATOM 0 HG2 LYS T 54 10.103 6.368 6.614 1.00 0.00 H new ATOM 0 HG3 LYS T 54 9.547 8.021 6.438 1.00 0.00 H new ATOM 0 HD2 LYS T 54 7.577 6.246 7.749 1.00 0.00 H new ATOM 0 HD3 LYS T 54 9.084 6.390 8.631 1.00 0.00 H new ATOM 0 HE2 LYS T 54 8.139 8.981 7.611 1.00 0.00 H new ATOM 0 HE3 LYS T 54 6.964 8.213 8.660 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 8.485 9.598 9.913 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 8.681 7.971 10.359 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 9.819 8.715 9.343 1.00 0.00 H new ATOM 843 N GLY T 55 7.549 7.031 2.249 1.00 0.00 N ATOM 844 CA GLY T 55 7.942 6.856 0.864 1.00 0.00 C ATOM 845 C GLY T 55 8.329 5.421 0.572 1.00 0.00 C ATOM 846 O GLY T 55 9.000 5.140 -0.421 1.00 0.00 O ATOM 0 H GLY T 55 6.624 6.669 2.481 1.00 0.00 H new ATOM 0 HA2 GLY T 55 7.120 7.152 0.212 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.781 7.513 0.637 1.00 0.00 H new ATOM 850 N ARG T 56 7.903 4.512 1.441 1.00 0.00 N ATOM 851 CA ARG T 56 8.201 3.095 1.276 1.00 0.00 C ATOM 852 C ARG T 56 6.968 2.341 0.794 1.00 0.00 C ATOM 853 O ARG T 56 5.842 2.809 0.957 1.00 0.00 O ATOM 854 CB ARG T 56 8.697 2.501 2.595 1.00 0.00 C ATOM 855 CG ARG T 56 7.605 2.341 3.641 1.00 0.00 C ATOM 856 CD ARG T 56 8.174 1.879 4.972 1.00 0.00 C ATOM 857 NE ARG T 56 7.844 2.795 6.059 1.00 0.00 N ATOM 858 CZ ARG T 56 8.006 2.502 7.346 1.00 0.00 C ATOM 859 NH1 ARG T 56 8.494 1.322 7.701 1.00 0.00 N ATOM 860 NH2 ARG T 56 7.680 3.389 8.276 1.00 0.00 N ATOM 0 H ARG T 56 7.349 4.732 2.269 1.00 0.00 H new ATOM 0 HA ARG T 56 8.985 2.994 0.526 1.00 0.00 H new ATOM 0 HB2 ARG T 56 9.146 1.527 2.399 1.00 0.00 H new ATOM 0 HB3 ARG T 56 9.483 3.139 2.998 1.00 0.00 H new ATOM 0 HG2 ARG T 56 7.086 3.290 3.775 1.00 0.00 H new ATOM 0 HG3 ARG T 56 6.866 1.621 3.290 1.00 0.00 H new ATOM 0 HD2 ARG T 56 7.788 0.887 5.205 1.00 0.00 H new ATOM 0 HD3 ARG T 56 9.257 1.789 4.891 1.00 0.00 H new ATOM 0 HE ARG T 56 7.468 3.712 5.818 1.00 0.00 H new ATOM 0 HH11 ARG T 56 8.745 0.638 6.987 1.00 0.00 H new ATOM 0 HH12 ARG T 56 8.618 1.098 8.688 1.00 0.00 H new ATOM 0 HH21 ARG T 56 7.304 4.298 8.005 1.00 0.00 H new ATOM 0 HH22 ARG T 56 7.805 3.163 9.263 1.00 0.00 H new ATOM 874 N VAL T 57 7.187 1.177 0.195 1.00 0.00 N ATOM 875 CA VAL T 57 6.091 0.367 -0.313 1.00 0.00 C ATOM 876 C VAL T 57 6.351 -1.120 -0.089 1.00 0.00 C ATOM 877 O VAL T 57 7.362 -1.660 -0.539 1.00 0.00 O ATOM 878 CB VAL T 57 5.866 0.629 -1.813 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.172 1.009 -2.491 1.00 0.00 C ATOM 880 CG2 VAL T 57 5.237 -0.581 -2.487 1.00 0.00 C ATOM 0 H VAL T 57 8.113 0.775 0.050 1.00 0.00 H new ATOM 0 HA VAL T 57 5.195 0.652 0.238 1.00 0.00 H new ATOM 0 HB VAL T 57 5.174 1.465 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL T 57 6.993 1.190 -3.551 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.571 1.913 -2.031 1.00 0.00 H new ATOM 0 HG13 VAL T 57 7.890 0.197 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL T 57 5.088 -0.371 -3.546 1.00 0.00 H new ATOM 0 HG22 VAL T 57 5.896 -1.442 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL T 57 4.276 -0.798 -2.021 1.00 0.00 H new ATOM 890 N GLY T 58 5.428 -1.775 0.610 1.00 0.00 N ATOM 891 CA GLY T 58 5.567 -3.194 0.885 1.00 0.00 C ATOM 892 C GLY T 58 4.344 -3.981 0.461 1.00 0.00 C ATOM 893 O GLY T 58 3.477 -3.458 -0.238 1.00 0.00 O ATOM 0 H GLY T 58 4.584 -1.347 0.992 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.444 -3.579 0.364 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.740 -3.341 1.951 1.00 0.00 H new ATOM 897 N TYR T 59 4.269 -5.240 0.880 1.00 0.00 N ATOM 898 CA TYR T 59 3.133 -6.088 0.530 1.00 0.00 C ATOM 899 C TYR T 59 2.794 -7.050 1.664 1.00 0.00 C ATOM 900 O TYR T 59 3.322 -8.159 1.729 1.00 0.00 O ATOM 901 CB TYR T 59 3.415 -6.874 -0.755 1.00 0.00 C ATOM 902 CG TYR T 59 4.835 -6.725 -1.259 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.231 -5.587 -1.949 1.00 0.00 C ATOM 904 CD2 TYR T 59 5.776 -7.726 -1.050 1.00 0.00 C ATOM 905 CE1 TYR T 59 6.524 -5.449 -2.416 1.00 0.00 C ATOM 906 CE2 TYR T 59 7.071 -7.595 -1.514 1.00 0.00 C ATOM 907 CZ TYR T 59 7.439 -6.454 -2.196 1.00 0.00 C ATOM 908 OH TYR T 59 8.727 -6.320 -2.661 1.00 0.00 O ATOM 0 H TYR T 59 4.976 -5.694 1.459 1.00 0.00 H new ATOM 0 HA TYR T 59 2.276 -5.436 0.362 1.00 0.00 H new ATOM 0 HB2 TYR T 59 3.211 -7.930 -0.577 1.00 0.00 H new ATOM 0 HB3 TYR T 59 2.726 -6.543 -1.532 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.516 -4.796 -2.124 1.00 0.00 H new ATOM 0 HD2 TYR T 59 5.491 -8.621 -0.516 1.00 0.00 H new ATOM 0 HE1 TYR T 59 6.816 -4.557 -2.951 1.00 0.00 H new ATOM 0 HE2 TYR T 59 7.791 -8.382 -1.344 1.00 0.00 H new ATOM 0 HH TYR T 59 9.332 -6.159 -1.907 1.00 0.00 H new ATOM 918 N PRO T 60 1.898 -6.632 2.572 1.00 0.00 N ATOM 919 CA PRO T 60 1.480 -7.457 3.708 1.00 0.00 C ATOM 920 C PRO T 60 0.532 -8.576 3.289 1.00 0.00 C ATOM 921 O PRO T 60 -0.402 -8.355 2.518 1.00 0.00 O ATOM 922 CB PRO T 60 0.762 -6.463 4.617 1.00 0.00 C ATOM 923 CG PRO T 60 0.257 -5.397 3.709 1.00 0.00 C ATOM 924 CD PRO T 60 1.223 -5.319 2.557 1.00 0.00 C ATOM 0 HA PRO T 60 2.323 -7.959 4.183 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -0.056 -6.942 5.155 1.00 0.00 H new ATOM 0 HB3 PRO T 60 1.440 -6.054 5.366 1.00 0.00 H new ATOM 0 HG2 PRO T 60 -0.747 -5.632 3.357 1.00 0.00 H new ATOM 0 HG3 PRO T 60 0.197 -4.441 4.230 1.00 0.00 H new ATOM 0 HD2 PRO T 60 0.706 -5.146 1.613 1.00 0.00 H new ATOM 0 HD3 PRO T 60 1.934 -4.503 2.686 1.00 0.00 H new ATOM 932 N ILE T 61 0.780 -9.778 3.799 1.00 0.00 N ATOM 933 CA ILE T 61 -0.050 -10.932 3.475 1.00 0.00 C ATOM 934 C ILE T 61 -0.555 -11.618 4.740 1.00 0.00 C ATOM 935 O ILE T 61 0.146 -11.672 5.751 1.00 0.00 O ATOM 936 CB ILE T 61 0.721 -11.957 2.623 1.00 0.00 C ATOM 937 CG1 ILE T 61 1.400 -11.263 1.439 1.00 0.00 C ATOM 938 CG2 ILE T 61 -0.213 -13.054 2.137 1.00 0.00 C ATOM 939 CD1 ILE T 61 0.428 -10.615 0.477 1.00 0.00 C ATOM 0 H ILE T 61 1.549 -9.978 4.438 1.00 0.00 H new ATOM 0 HA ILE T 61 -0.899 -10.560 2.902 1.00 0.00 H new ATOM 0 HB ILE T 61 1.493 -12.414 3.243 1.00 0.00 H new ATOM 0 HG12 ILE T 61 2.084 -10.504 1.818 1.00 0.00 H new ATOM 0 HG13 ILE T 61 2.002 -11.993 0.898 1.00 0.00 H new ATOM 0 HG21 ILE T 61 0.348 -13.770 1.536 1.00 0.00 H new ATOM 0 HG22 ILE T 61 -0.652 -13.565 2.994 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -1.006 -12.615 1.531 1.00 0.00 H new ATOM 0 HD11 ILE T 61 0.980 -10.143 -0.336 1.00 0.00 H new ATOM 0 HD12 ILE T 61 -0.240 -11.373 0.069 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -0.157 -9.861 1.004 1.00 0.00 H new ATOM 951 N VAL T 62 -1.775 -12.144 4.677 1.00 0.00 N ATOM 952 CA VAL T 62 -2.372 -12.829 5.818 1.00 0.00 C ATOM 953 C VAL T 62 -2.213 -14.341 5.695 1.00 0.00 C ATOM 954 O VAL T 62 -1.862 -15.019 6.661 1.00 0.00 O ATOM 955 CB VAL T 62 -3.868 -12.491 5.959 1.00 0.00 C ATOM 956 CG1 VAL T 62 -4.050 -11.099 6.543 1.00 0.00 C ATOM 957 CG2 VAL T 62 -4.573 -12.613 4.617 1.00 0.00 C ATOM 0 H VAL T 62 -2.369 -12.109 3.848 1.00 0.00 H new ATOM 0 HA VAL T 62 -1.845 -12.481 6.706 1.00 0.00 H new ATOM 0 HB VAL T 62 -4.319 -13.207 6.645 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -5.114 -10.879 6.635 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -3.584 -11.054 7.527 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -3.583 -10.365 5.886 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -5.629 -12.370 4.737 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -4.121 -11.923 3.904 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -4.475 -13.633 4.246 1.00 0.00 H new ATOM 1104 N THR T 73 5.824 -13.483 5.955 1.00 0.00 N ATOM 1105 CA THR T 73 4.851 -13.146 6.979 1.00 0.00 C ATOM 1106 C THR T 73 4.918 -11.666 7.342 1.00 0.00 C ATOM 1107 O THR T 73 5.987 -11.139 7.648 1.00 0.00 O ATOM 1108 CB THR T 73 5.084 -13.980 8.245 1.00 0.00 C ATOM 1109 OG1 THR T 73 6.441 -14.437 8.289 1.00 0.00 O ATOM 1110 CG2 THR T 73 4.143 -15.173 8.282 1.00 0.00 C ATOM 0 HA THR T 73 3.865 -13.368 6.571 1.00 0.00 H new ATOM 0 HB THR T 73 4.886 -13.350 9.112 1.00 0.00 H new ATOM 0 HG1 THR T 73 6.833 -14.383 7.393 1.00 0.00 H new ATOM 0 HG21 THR T 73 4.324 -15.752 9.188 1.00 0.00 H new ATOM 0 HG22 THR T 73 3.111 -14.823 8.276 1.00 0.00 H new ATOM 0 HG23 THR T 73 4.318 -15.802 7.409 1.00 0.00 H new ATOM 1118 N GLY T 74 3.767 -11.001 7.309 1.00 0.00 N ATOM 1119 CA GLY T 74 3.716 -9.589 7.641 1.00 0.00 C ATOM 1120 C GLY T 74 3.882 -8.710 6.417 1.00 0.00 C ATOM 1121 O GLY T 74 3.854 -9.197 5.287 1.00 0.00 O ATOM 0 H GLY T 74 2.869 -11.415 7.058 1.00 0.00 H new ATOM 0 HA2 GLY T 74 2.764 -9.364 8.122 1.00 0.00 H new ATOM 0 HA3 GLY T 74 4.500 -9.358 8.362 1.00 0.00 H new ATOM 1125 N ILE T 75 4.057 -7.411 6.641 1.00 0.00 N ATOM 1126 CA ILE T 75 4.229 -6.465 5.548 1.00 0.00 C ATOM 1127 C ILE T 75 5.602 -6.612 4.907 1.00 0.00 C ATOM 1128 O ILE T 75 6.602 -6.126 5.438 1.00 0.00 O ATOM 1129 CB ILE T 75 4.055 -5.012 6.024 1.00 0.00 C ATOM 1130 CG1 ILE T 75 2.860 -4.906 6.979 1.00 0.00 C ATOM 1131 CG2 ILE T 75 3.893 -4.080 4.832 1.00 0.00 C ATOM 1132 CD1 ILE T 75 1.897 -3.787 6.645 1.00 0.00 C ATOM 0 H ILE T 75 4.083 -6.991 7.570 1.00 0.00 H new ATOM 0 HA ILE T 75 3.457 -6.693 4.813 1.00 0.00 H new ATOM 0 HB ILE T 75 4.949 -4.708 6.568 1.00 0.00 H new ATOM 0 HG12 ILE T 75 2.318 -5.852 6.971 1.00 0.00 H new ATOM 0 HG13 ILE T 75 3.231 -4.760 7.993 1.00 0.00 H new ATOM 0 HG21 ILE T 75 3.771 -3.056 5.185 1.00 0.00 H new ATOM 0 HG22 ILE T 75 4.778 -4.142 4.198 1.00 0.00 H new ATOM 0 HG23 ILE T 75 3.014 -4.373 4.258 1.00 0.00 H new ATOM 0 HD11 ILE T 75 1.081 -3.781 7.368 1.00 0.00 H new ATOM 0 HD12 ILE T 75 2.422 -2.832 6.682 1.00 0.00 H new ATOM 0 HD13 ILE T 75 1.494 -3.941 5.644 1.00 0.00 H new ATOM 1144 N ILE T 76 5.644 -7.283 3.764 1.00 0.00 N ATOM 1145 CA ILE T 76 6.893 -7.495 3.048 1.00 0.00 C ATOM 1146 C ILE T 76 7.383 -6.202 2.406 1.00 0.00 C ATOM 1147 O ILE T 76 7.172 -5.968 1.216 1.00 0.00 O ATOM 1148 CB ILE T 76 6.734 -8.572 1.961 1.00 0.00 C ATOM 1149 CG1 ILE T 76 5.902 -9.741 2.490 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.098 -9.053 1.487 1.00 0.00 C ATOM 1151 CD1 ILE T 76 6.407 -10.303 3.802 1.00 0.00 C ATOM 0 H ILE T 76 4.825 -7.690 3.312 1.00 0.00 H new ATOM 0 HA ILE T 76 7.629 -7.832 3.778 1.00 0.00 H new ATOM 0 HB ILE T 76 6.211 -8.135 1.110 1.00 0.00 H new ATOM 0 HG12 ILE T 76 4.871 -9.413 2.619 1.00 0.00 H new ATOM 0 HG13 ILE T 76 5.893 -10.536 1.744 1.00 0.00 H new ATOM 0 HG21 ILE T 76 7.968 -9.815 0.718 1.00 0.00 H new ATOM 0 HG22 ILE T 76 8.657 -8.213 1.075 1.00 0.00 H new ATOM 0 HG23 ILE T 76 8.647 -9.476 2.328 1.00 0.00 H new ATOM 0 HD11 ILE T 76 5.767 -11.128 4.115 1.00 0.00 H new ATOM 0 HD12 ILE T 76 7.428 -10.663 3.675 1.00 0.00 H new ATOM 0 HD13 ILE T 76 6.390 -9.523 4.563 1.00 0.00 H new ATOM 1163 N ASP T 77 8.040 -5.368 3.204 1.00 0.00 N ATOM 1164 CA ASP T 77 8.562 -4.096 2.721 1.00 0.00 C ATOM 1165 C ASP T 77 10.087 -4.111 2.701 1.00 0.00 C ATOM 1166 O ASP T 77 10.725 -4.599 3.635 1.00 0.00 O ATOM 1167 CB ASP T 77 8.059 -2.949 3.598 1.00 0.00 C ATOM 1168 CG ASP T 77 8.916 -1.703 3.478 1.00 0.00 C ATOM 1169 OD1 ASP T 77 9.119 -1.230 2.340 1.00 0.00 O ATOM 1170 OD2 ASP T 77 9.385 -1.203 4.521 1.00 0.00 O ATOM 0 H ASP T 77 8.224 -5.551 4.190 1.00 0.00 H new ATOM 0 HA ASP T 77 8.205 -3.945 1.702 1.00 0.00 H new ATOM 0 HB2 ASP T 77 7.033 -2.708 3.321 1.00 0.00 H new ATOM 0 HB3 ASP T 77 8.040 -3.274 4.638 1.00 0.00 H new ATOM 1175 N TYR T 78 10.666 -3.579 1.632 1.00 0.00 N ATOM 1176 CA TYR T 78 12.116 -3.537 1.490 1.00 0.00 C ATOM 1177 C TYR T 78 12.647 -2.128 1.733 1.00 0.00 C ATOM 1178 O TYR T 78 13.684 -1.741 1.193 1.00 0.00 O ATOM 1179 CB TYR T 78 12.527 -4.021 0.097 1.00 0.00 C ATOM 1180 CG TYR T 78 12.104 -5.443 -0.200 1.00 0.00 C ATOM 1181 CD1 TYR T 78 10.775 -5.831 -0.089 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.035 -6.398 -0.591 1.00 0.00 C ATOM 1183 CE1 TYR T 78 10.384 -7.129 -0.358 1.00 0.00 C ATOM 1184 CE2 TYR T 78 12.652 -7.698 -0.863 1.00 0.00 C ATOM 1185 CZ TYR T 78 11.327 -8.058 -0.745 1.00 0.00 C ATOM 1186 OH TYR T 78 10.942 -9.352 -1.013 1.00 0.00 O ATOM 0 H TYR T 78 10.154 -3.170 0.850 1.00 0.00 H new ATOM 0 HA TYR T 78 12.549 -4.200 2.239 1.00 0.00 H new ATOM 0 HB2 TYR T 78 12.093 -3.358 -0.651 1.00 0.00 H new ATOM 0 HB3 TYR T 78 13.610 -3.945 0.000 1.00 0.00 H new ATOM 0 HD1 TYR T 78 10.034 -5.106 0.213 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.074 -6.120 -0.684 1.00 0.00 H new ATOM 0 HE1 TYR T 78 9.346 -7.414 -0.266 1.00 0.00 H new ATOM 0 HE2 TYR T 78 13.388 -8.428 -1.167 1.00 0.00 H new ATOM 0 HH TYR T 78 11.726 -9.879 -1.273 1.00 0.00 H new ATOM 1196 N GLY T 79 11.930 -1.366 2.553 1.00 0.00 N ATOM 1197 CA GLY T 79 12.344 -0.008 2.857 1.00 0.00 C ATOM 1198 C GLY T 79 12.282 0.873 1.626 1.00 0.00 C ATOM 1199 O GLY T 79 12.073 0.387 0.514 1.00 0.00 O ATOM 0 H GLY T 79 11.070 -1.665 3.012 1.00 0.00 H new ATOM 0 HA2 GLY T 79 11.702 0.405 3.635 1.00 0.00 H new ATOM 0 HA3 GLY T 79 13.360 -0.015 3.252 1.00 0.00 H new ATOM 1203 N ILE T 80 12.466 2.174 1.824 1.00 0.00 N ATOM 1204 CA ILE T 80 12.430 3.128 0.722 1.00 0.00 C ATOM 1205 C ILE T 80 13.644 2.961 -0.186 1.00 0.00 C ATOM 1206 O ILE T 80 14.784 3.122 0.250 1.00 0.00 O ATOM 1207 CB ILE T 80 12.384 4.580 1.235 1.00 0.00 C ATOM 1208 CG1 ILE T 80 11.305 4.730 2.311 1.00 0.00 C ATOM 1209 CG2 ILE T 80 12.130 5.541 0.084 1.00 0.00 C ATOM 1210 CD1 ILE T 80 11.532 5.901 3.241 1.00 0.00 C ATOM 0 H ILE T 80 12.642 2.592 2.738 1.00 0.00 H new ATOM 0 HA ILE T 80 11.522 2.923 0.155 1.00 0.00 H new ATOM 0 HB ILE T 80 13.349 4.824 1.679 1.00 0.00 H new ATOM 0 HG12 ILE T 80 10.335 4.845 1.827 1.00 0.00 H new ATOM 0 HG13 ILE T 80 11.261 3.813 2.899 1.00 0.00 H new ATOM 0 HG21 ILE T 80 12.100 6.563 0.463 1.00 0.00 H new ATOM 0 HG22 ILE T 80 12.931 5.449 -0.650 1.00 0.00 H new ATOM 0 HG23 ILE T 80 11.177 5.301 -0.387 1.00 0.00 H new ATOM 0 HD11 ILE T 80 10.728 5.943 3.976 1.00 0.00 H new ATOM 0 HD12 ILE T 80 12.486 5.779 3.754 1.00 0.00 H new ATOM 0 HD13 ILE T 80 11.546 6.826 2.665 1.00 0.00 H new ATOM 1222 N ARG T 81 13.392 2.638 -1.450 1.00 0.00 N ATOM 1223 CA ARG T 81 14.467 2.449 -2.419 1.00 0.00 C ATOM 1224 C ARG T 81 14.924 3.786 -2.994 1.00 0.00 C ATOM 1225 O ARG T 81 15.610 3.830 -4.015 1.00 0.00 O ATOM 1226 CB ARG T 81 14.007 1.525 -3.548 1.00 0.00 C ATOM 1227 CG ARG T 81 13.320 0.261 -3.058 1.00 0.00 C ATOM 1228 CD ARG T 81 14.313 -0.714 -2.447 1.00 0.00 C ATOM 1229 NE ARG T 81 15.124 -1.376 -3.464 1.00 0.00 N ATOM 1230 CZ ARG T 81 16.302 -1.939 -3.216 1.00 0.00 C ATOM 1231 NH1 ARG T 81 16.806 -1.916 -1.989 1.00 0.00 N ATOM 1232 NH2 ARG T 81 16.980 -2.525 -4.195 1.00 0.00 N ATOM 0 H ARG T 81 12.454 2.502 -1.828 1.00 0.00 H new ATOM 0 HA ARG T 81 15.310 1.990 -1.903 1.00 0.00 H new ATOM 0 HB2 ARG T 81 13.323 2.071 -4.198 1.00 0.00 H new ATOM 0 HB3 ARG T 81 14.870 1.248 -4.154 1.00 0.00 H new ATOM 0 HG2 ARG T 81 12.563 0.521 -2.319 1.00 0.00 H new ATOM 0 HG3 ARG T 81 12.803 -0.218 -3.889 1.00 0.00 H new ATOM 0 HD2 ARG T 81 14.964 -0.182 -1.754 1.00 0.00 H new ATOM 0 HD3 ARG T 81 13.775 -1.464 -1.867 1.00 0.00 H new ATOM 0 HE ARG T 81 14.767 -1.408 -4.419 1.00 0.00 H new ATOM 0 HH11 ARG T 81 16.289 -1.466 -1.234 1.00 0.00 H new ATOM 0 HH12 ARG T 81 17.710 -2.349 -1.801 1.00 0.00 H new ATOM 0 HH21 ARG T 81 16.597 -2.544 -5.140 1.00 0.00 H new ATOM 0 HH22 ARG T 81 17.884 -2.956 -4.002 1.00 0.00 H new ATOM 1246 N LEU T 82 14.539 4.872 -2.332 1.00 0.00 N ATOM 1247 CA LEU T 82 14.910 6.211 -2.776 1.00 0.00 C ATOM 1248 C LEU T 82 14.529 6.425 -4.237 1.00 0.00 C ATOM 1249 O LEU T 82 15.307 6.974 -5.019 1.00 0.00 O ATOM 1250 CB LEU T 82 16.411 6.437 -2.588 1.00 0.00 C ATOM 1251 CG LEU T 82 16.810 7.808 -2.036 1.00 0.00 C ATOM 1252 CD1 LEU T 82 16.309 8.919 -2.947 1.00 0.00 C ATOM 1253 CD2 LEU T 82 16.274 7.992 -0.625 1.00 0.00 C ATOM 0 H LEU T 82 13.970 4.851 -1.486 1.00 0.00 H new ATOM 0 HA LEU T 82 14.364 6.932 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.794 5.669 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU T 82 16.905 6.295 -3.549 1.00 0.00 H new ATOM 0 HG LEU T 82 17.898 7.859 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU T 82 16.603 9.886 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU T 82 16.743 8.799 -3.940 1.00 0.00 H new ATOM 0 HD13 LEU T 82 15.222 8.870 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU T 82 16.568 8.972 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU T 82 15.187 7.919 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU T 82 16.683 7.217 0.024 1.00 0.00 H new ATOM 1265 N ASN T 83 13.328 5.988 -4.601 1.00 0.00 N ATOM 1266 CA ASN T 83 12.844 6.131 -5.968 1.00 0.00 C ATOM 1267 C ASN T 83 11.337 5.903 -6.038 1.00 0.00 C ATOM 1268 O ASN T 83 10.879 4.810 -6.373 1.00 0.00 O ATOM 1269 CB ASN T 83 13.563 5.147 -6.892 1.00 0.00 C ATOM 1270 CG ASN T 83 13.752 5.705 -8.290 1.00 0.00 C ATOM 1271 OD1 ASN T 83 14.210 6.948 -8.375 1.00 0.00 O flip ATOM 1272 ND2 ASN T 83 13.491 5.025 -9.283 1.00 0.00 N flip ATOM 0 H ASN T 83 12.672 5.532 -3.967 1.00 0.00 H new ATOM 0 HA ASN T 83 13.056 7.148 -6.297 1.00 0.00 H new ATOM 0 HB2 ASN T 83 14.536 4.898 -6.468 1.00 0.00 H new ATOM 0 HB3 ASN T 83 12.992 4.220 -6.947 1.00 0.00 H new ATOM 0 HD21 ASN T 83 13.141 4.073 -9.172 1.00 0.00 H new ATOM 0 HD22 ASN T 83 13.625 5.413 -10.217 1.00 0.00 H new ATOM 1279 N ARG T 84 10.572 6.942 -5.721 1.00 0.00 N ATOM 1280 CA ARG T 84 9.116 6.855 -5.747 1.00 0.00 C ATOM 1281 C ARG T 84 8.607 6.729 -7.180 1.00 0.00 C ATOM 1282 O ARG T 84 7.403 6.624 -7.412 1.00 0.00 O ATOM 1283 CB ARG T 84 8.497 8.086 -5.082 1.00 0.00 C ATOM 1284 CG ARG T 84 9.424 8.778 -4.095 1.00 0.00 C ATOM 1285 CD ARG T 84 9.712 10.213 -4.506 1.00 0.00 C ATOM 1286 NE ARG T 84 11.130 10.544 -4.392 1.00 0.00 N ATOM 1287 CZ ARG T 84 11.842 11.080 -5.378 1.00 0.00 C ATOM 1288 NH1 ARG T 84 11.272 11.345 -6.545 1.00 0.00 N ATOM 1289 NH2 ARG T 84 13.128 11.353 -5.197 1.00 0.00 N ATOM 0 H ARG T 84 10.935 7.854 -5.443 1.00 0.00 H new ATOM 0 HA ARG T 84 8.820 5.964 -5.193 1.00 0.00 H new ATOM 0 HB2 ARG T 84 8.206 8.798 -5.855 1.00 0.00 H new ATOM 0 HB3 ARG T 84 7.586 7.788 -4.564 1.00 0.00 H new ATOM 0 HG2 ARG T 84 8.973 8.767 -3.103 1.00 0.00 H new ATOM 0 HG3 ARG T 84 10.360 8.224 -4.025 1.00 0.00 H new ATOM 0 HD2 ARG T 84 9.386 10.367 -5.535 1.00 0.00 H new ATOM 0 HD3 ARG T 84 9.131 10.892 -3.882 1.00 0.00 H new ATOM 0 HE ARG T 84 11.600 10.353 -3.507 1.00 0.00 H new ATOM 0 HH11 ARG T 84 10.284 11.138 -6.689 1.00 0.00 H new ATOM 0 HH12 ARG T 84 11.822 11.756 -7.299 1.00 0.00 H new ATOM 0 HH21 ARG T 84 13.571 11.151 -4.301 1.00 0.00 H new ATOM 0 HH22 ARG T 84 13.674 11.764 -5.954 1.00 0.00 H new ATOM 1303 N SER T 85 9.530 6.743 -8.135 1.00 0.00 N ATOM 1304 CA SER T 85 9.174 6.632 -9.545 1.00 0.00 C ATOM 1305 C SER T 85 8.812 5.195 -9.910 1.00 0.00 C ATOM 1306 O SER T 85 8.718 4.850 -11.088 1.00 0.00 O ATOM 1307 CB SER T 85 10.329 7.117 -10.423 1.00 0.00 C ATOM 1308 OG SER T 85 9.865 7.983 -11.444 1.00 0.00 O ATOM 0 H SER T 85 10.531 6.830 -7.959 1.00 0.00 H new ATOM 0 HA SER T 85 8.301 7.260 -9.721 1.00 0.00 H new ATOM 0 HB2 SER T 85 11.064 7.636 -9.808 1.00 0.00 H new ATOM 0 HB3 SER T 85 10.834 6.261 -10.870 1.00 0.00 H new ATOM 0 HG SER T 85 10.622 8.280 -11.990 1.00 0.00 H new ATOM 1314 N GLU T 86 8.607 4.363 -8.894 1.00 0.00 N ATOM 1315 CA GLU T 86 8.251 2.967 -9.111 1.00 0.00 C ATOM 1316 C GLU T 86 6.783 2.839 -9.504 1.00 0.00 C ATOM 1317 O GLU T 86 6.084 3.841 -9.651 1.00 0.00 O ATOM 1318 CB GLU T 86 8.531 2.150 -7.851 1.00 0.00 C ATOM 1319 CG GLU T 86 9.991 1.755 -7.695 1.00 0.00 C ATOM 1320 CD GLU T 86 10.258 0.328 -8.131 1.00 0.00 C ATOM 1321 OE1 GLU T 86 9.679 -0.101 -9.151 1.00 0.00 O ATOM 1322 OE2 GLU T 86 11.047 -0.363 -7.452 1.00 0.00 O ATOM 0 H GLU T 86 8.681 4.632 -7.913 1.00 0.00 H new ATOM 0 HA GLU T 86 8.861 2.580 -9.927 1.00 0.00 H new ATOM 0 HB2 GLU T 86 8.224 2.726 -6.978 1.00 0.00 H new ATOM 0 HB3 GLU T 86 7.919 1.248 -7.869 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.612 2.432 -8.282 1.00 0.00 H new ATOM 0 HG3 GLU T 86 10.286 1.874 -6.653 1.00 0.00 H new ATOM 1329 N ARG T 87 6.320 1.605 -9.673 1.00 0.00 N ATOM 1330 CA ARG T 87 4.932 1.363 -10.049 1.00 0.00 C ATOM 1331 C ARG T 87 4.311 0.253 -9.209 1.00 0.00 C ATOM 1332 O ARG T 87 4.695 -0.911 -9.314 1.00 0.00 O ATOM 1333 CB ARG T 87 4.834 1.004 -11.528 1.00 0.00 C ATOM 1334 CG ARG T 87 5.853 -0.029 -11.978 1.00 0.00 C ATOM 1335 CD ARG T 87 6.585 0.413 -13.235 1.00 0.00 C ATOM 1336 NE ARG T 87 5.713 0.398 -14.406 1.00 0.00 N ATOM 1337 CZ ARG T 87 6.120 0.717 -15.631 1.00 0.00 C ATOM 1338 NH1 ARG T 87 7.380 1.072 -15.842 1.00 0.00 N ATOM 1339 NH2 ARG T 87 5.266 0.679 -16.644 1.00 0.00 N ATOM 0 H ARG T 87 6.882 0.762 -9.556 1.00 0.00 H new ATOM 0 HA ARG T 87 4.378 2.283 -9.863 1.00 0.00 H new ATOM 0 HB2 ARG T 87 3.833 0.627 -11.735 1.00 0.00 H new ATOM 0 HB3 ARG T 87 4.962 1.909 -12.121 1.00 0.00 H new ATOM 0 HG2 ARG T 87 6.574 -0.201 -11.179 1.00 0.00 H new ATOM 0 HG3 ARG T 87 5.351 -0.978 -12.164 1.00 0.00 H new ATOM 0 HD2 ARG T 87 6.981 1.418 -13.090 1.00 0.00 H new ATOM 0 HD3 ARG T 87 7.438 -0.244 -13.409 1.00 0.00 H new ATOM 0 HE ARG T 87 4.738 0.128 -14.277 1.00 0.00 H new ATOM 0 HH11 ARG T 87 8.039 1.101 -15.064 1.00 0.00 H new ATOM 0 HH12 ARG T 87 7.690 1.316 -16.782 1.00 0.00 H new ATOM 0 HH21 ARG T 87 4.297 0.405 -16.484 1.00 0.00 H new ATOM 0 HH22 ARG T 87 5.578 0.924 -17.584 1.00 0.00 H new ATOM 1353 N TRP T 88 3.339 0.629 -8.387 1.00 0.00 N ATOM 1354 CA TRP T 88 2.638 -0.318 -7.524 1.00 0.00 C ATOM 1355 C TRP T 88 1.233 0.190 -7.218 1.00 0.00 C ATOM 1356 O TRP T 88 0.708 1.052 -7.923 1.00 0.00 O ATOM 1357 CB TRP T 88 3.399 -0.531 -6.211 1.00 0.00 C ATOM 1358 CG TRP T 88 4.889 -0.553 -6.363 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.756 0.453 -6.048 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.688 -1.633 -6.858 1.00 0.00 C ATOM 1361 NE1 TRP T 88 7.046 0.066 -6.321 1.00 0.00 N ATOM 1362 CE2 TRP T 88 7.031 -1.212 -6.819 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.399 -2.917 -7.331 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 8.080 -2.027 -7.234 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.442 -3.725 -7.743 1.00 0.00 C ATOM 1366 CH2 TRP T 88 7.767 -3.278 -7.693 1.00 0.00 C ATOM 0 H TRP T 88 3.015 1.592 -8.299 1.00 0.00 H new ATOM 0 HA TRP T 88 2.576 -1.270 -8.051 1.00 0.00 H new ATOM 0 HB2 TRP T 88 3.128 0.262 -5.514 1.00 0.00 H new ATOM 0 HB3 TRP T 88 3.076 -1.472 -5.765 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.470 1.413 -5.643 1.00 0.00 H new ATOM 0 HE1 TRP T 88 7.879 0.636 -6.177 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.379 -3.271 -7.374 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 9.104 -1.685 -7.195 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 6.231 -4.719 -8.110 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.559 -3.934 -8.023 1.00 0.00 H new ATOM 1377 N ASP T 89 0.636 -0.334 -6.154 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.700 0.083 -5.749 1.00 0.00 C ATOM 1379 C ASP T 89 -0.614 1.217 -4.734 1.00 0.00 C ATOM 1380 O ASP T 89 0.461 1.767 -4.494 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.478 -1.092 -5.153 1.00 0.00 C ATOM 1382 CG ASP T 89 -0.677 -2.376 -5.171 1.00 0.00 C ATOM 1383 OD1 ASP T 89 -0.255 -2.798 -6.268 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -0.471 -2.960 -4.086 1.00 0.00 O ATOM 0 H ASP T 89 1.055 -1.047 -5.557 1.00 0.00 H new ATOM 0 HA ASP T 89 -1.229 0.436 -6.634 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -1.760 -0.856 -4.127 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.402 -1.235 -5.713 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.750 1.565 -4.143 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.789 2.640 -3.160 1.00 0.00 C ATOM 1391 C ALA T 90 -2.731 2.311 -2.007 1.00 0.00 C ATOM 1392 O ALA T 90 -3.893 1.962 -2.223 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.209 3.939 -3.826 1.00 0.00 C ATOM 0 H ALA T 90 -2.651 1.122 -4.325 1.00 0.00 H new ATOM 0 HA ALA T 90 -0.786 2.754 -2.748 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.235 4.737 -3.084 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.494 4.195 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.199 3.819 -4.265 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.229 2.441 -0.784 1.00 0.00 N ATOM 1400 CA TYR T 91 -3.030 2.177 0.400 1.00 0.00 C ATOM 1401 C TYR T 91 -3.710 3.459 0.863 1.00 0.00 C ATOM 1402 O TYR T 91 -3.057 4.364 1.379 1.00 0.00 O ATOM 1403 CB TYR T 91 -2.152 1.619 1.522 1.00 0.00 C ATOM 1404 CG TYR T 91 -1.850 0.143 1.395 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -2.871 -0.800 1.351 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -0.539 -0.310 1.325 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -2.593 -2.148 1.239 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -0.253 -1.657 1.212 1.00 0.00 C ATOM 1409 CZ TYR T 91 -1.282 -2.572 1.170 1.00 0.00 C ATOM 1410 OH TYR T 91 -1.001 -3.914 1.058 1.00 0.00 O ATOM 0 H TYR T 91 -1.270 2.728 -0.589 1.00 0.00 H new ATOM 0 HA TYR T 91 -3.791 1.438 0.150 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -1.212 2.171 1.541 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -2.646 1.797 2.477 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -3.899 -0.473 1.405 1.00 0.00 H new ATOM 0 HD2 TYR T 91 0.271 0.403 1.360 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -3.398 -2.867 1.206 1.00 0.00 H new ATOM 0 HE2 TYR T 91 0.773 -1.991 1.157 1.00 0.00 H new ATOM 0 HH TYR T 91 -1.470 -4.406 1.764 1.00 0.00 H new ATOM 1420 N CYS T 92 -5.019 3.539 0.663 1.00 0.00 N ATOM 1421 CA CYS T 92 -5.774 4.724 1.050 1.00 0.00 C ATOM 1422 C CYS T 92 -6.254 4.625 2.492 1.00 0.00 C ATOM 1423 O CYS T 92 -6.519 3.536 3.000 1.00 0.00 O ATOM 1424 CB CYS T 92 -6.965 4.923 0.113 1.00 0.00 C ATOM 1425 SG CYS T 92 -6.577 5.887 -1.384 1.00 0.00 S ATOM 0 H CYS T 92 -5.579 2.800 0.237 1.00 0.00 H new ATOM 0 HA CYS T 92 -5.110 5.585 0.971 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -7.347 3.947 -0.185 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -7.764 5.425 0.659 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.366 5.777 3.142 1.00 0.00 N ATOM 1431 CA TYR T 93 -6.815 5.844 4.521 1.00 0.00 C ATOM 1432 C TYR T 93 -7.809 6.986 4.677 1.00 0.00 C ATOM 1433 O TYR T 93 -7.569 8.094 4.199 1.00 0.00 O ATOM 1434 CB TYR T 93 -5.620 6.041 5.452 1.00 0.00 C ATOM 1435 CG TYR T 93 -5.983 5.974 6.914 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -6.013 4.763 7.592 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -6.288 7.127 7.619 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -6.342 4.706 8.933 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -6.614 7.083 8.956 1.00 0.00 C ATOM 1440 CZ TYR T 93 -6.641 5.869 9.611 1.00 0.00 C ATOM 1441 OH TYR T 93 -6.968 5.819 10.947 1.00 0.00 O ATOM 0 H TYR T 93 -6.149 6.684 2.729 1.00 0.00 H new ATOM 0 HA TYR T 93 -7.307 4.909 4.788 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -4.871 5.279 5.236 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -5.161 7.007 5.243 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -5.776 3.852 7.063 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -6.270 8.079 7.110 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -6.365 3.756 9.447 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -6.847 7.993 9.489 1.00 0.00 H new ATOM 0 HH TYR T 93 -7.150 6.725 11.273 1.00 0.00 H new ATOM 1451 N ASN T 94 -8.933 6.709 5.321 1.00 0.00 N ATOM 1452 CA ASN T 94 -9.962 7.723 5.499 1.00 0.00 C ATOM 1453 C ASN T 94 -10.197 8.055 6.969 1.00 0.00 C ATOM 1454 O ASN T 94 -11.155 7.577 7.577 1.00 0.00 O ATOM 1455 CB ASN T 94 -11.272 7.266 4.856 1.00 0.00 C ATOM 1456 CG ASN T 94 -11.317 7.536 3.363 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -10.413 8.383 2.884 1.00 0.00 O flip ATOM 1458 ND2 ASN T 94 -12.156 6.989 2.648 1.00 0.00 N flip ATOM 0 H ASN T 94 -9.155 5.799 5.726 1.00 0.00 H new ATOM 0 HA ASN T 94 -9.608 8.630 5.008 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -11.406 6.199 5.032 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -12.106 7.776 5.339 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -12.833 6.345 3.057 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -12.175 7.180 1.646 1.00 0.00 H new