USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 758 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: T 16 TYR OH : rot 180:sc=0.000129 USER MOD Set 1.2: T 20 LYS NZ :NH3+ -158:sc= 0 (180deg=0) USER MOD Set 2.1: T 3 TYR OH : rot 180:sc= -0.41 USER MOD Set 2.2: T 94 ASN : amide:sc= -1.84 K(o=-2.3,f=-8.8!) USER MOD Single : T 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 4 HIS : no HE2:sc= -2.5! C(o=-2.5!,f=-3.9!) USER MOD Single : T 9 SER OG : rot 180:sc= 0 USER MOD Single : T 11 LYS NZ :NH3+ -173:sc= -0.0292 (180deg=-0.0854) USER MOD Single : T 12 TYR OH : rot 180:sc= 0 USER MOD Single : T 13 LYS NZ :NH3+ -145:sc= -0.23 (180deg=-1.06) USER MOD Single : T 15 THR OG1 : rot 180:sc= 0.0296 USER MOD Single : T 29 HIS : no HD1:sc= -3.67! C(o=-3.7!,f=-6.4!) USER MOD Single : T 32 THR OG1 : rot 170:sc= -0.73 USER MOD Single : T 33 TYR OH : rot 180:sc= 0 USER MOD Single : T 34 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.196) USER MOD Single : T 35 GLN : amide:sc= -2.88! C(o=-2.9!,f=-6.7!) USER MOD Single : T 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 45 HIS : no HD1:sc= -12.5! C(o=-12!,f=-13!) USER MOD Single : T 52 MET CE :methyl 171:sc= -1.13 (180deg=-1.33) USER MOD Single : T 54 LYS NZ :NH3+ -160:sc= -0.031 (180deg=-0.211) USER MOD Single : T 59 TYR OH : rot 147:sc= 0.088 USER MOD Single : T 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 67 ASN : amide:sc= -0.566 X(o=-0.57,f=-0.64) USER MOD Single : T 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 73 THR OG1 : rot 180:sc= 0.00205 USER MOD Single : T 78 TYR OH : rot 180:sc= 0 USER MOD Single : T 83 ASN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : T 85 SER OG : rot 180:sc= 0 USER MOD Single : T 91 TYR OH : rot 149:sc= -7.32! USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD Single : T 96 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : T 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY T 1 -10.154 2.697 9.303 1.00 0.00 N ATOM 2 CA GLY T 1 -10.672 3.221 8.008 1.00 0.00 C ATOM 3 C GLY T 1 -9.658 3.100 6.890 1.00 0.00 C ATOM 4 O GLY T 1 -9.420 4.055 6.152 1.00 0.00 O ATOM 0 H1 GLY T 1 -10.884 2.802 10.037 1.00 0.00 H new ATOM 0 H2 GLY T 1 -9.910 1.691 9.198 1.00 0.00 H new ATOM 0 H3 GLY T 1 -9.306 3.232 9.580 1.00 0.00 H new ATOM 0 HA2 GLY T 1 -11.577 2.678 7.735 1.00 0.00 H new ATOM 0 HA3 GLY T 1 -10.953 4.267 8.129 1.00 0.00 H new ATOM 10 N VAL T 2 -9.063 1.922 6.765 1.00 0.00 N ATOM 11 CA VAL T 2 -8.067 1.673 5.730 1.00 0.00 C ATOM 12 C VAL T 2 -8.640 0.823 4.603 1.00 0.00 C ATOM 13 O VAL T 2 -9.347 -0.154 4.850 1.00 0.00 O ATOM 14 CB VAL T 2 -6.826 0.957 6.297 1.00 0.00 C ATOM 15 CG1 VAL T 2 -5.577 1.368 5.534 1.00 0.00 C ATOM 16 CG2 VAL T 2 -6.674 1.241 7.781 1.00 0.00 C ATOM 0 H VAL T 2 -9.253 1.122 7.368 1.00 0.00 H new ATOM 0 HA VAL T 2 -7.776 2.649 5.342 1.00 0.00 H new ATOM 0 HB VAL T 2 -6.961 -0.117 6.172 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -4.711 0.852 5.949 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -5.689 1.102 4.483 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -5.434 2.445 5.622 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -5.792 0.726 8.162 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -6.563 2.314 7.937 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -7.558 0.887 8.312 1.00 0.00 H new ATOM 26 N TYR T 3 -8.323 1.192 3.367 1.00 0.00 N ATOM 27 CA TYR T 3 -8.803 0.446 2.209 1.00 0.00 C ATOM 28 C TYR T 3 -7.747 0.381 1.114 1.00 0.00 C ATOM 29 O TYR T 3 -6.915 1.277 0.979 1.00 0.00 O ATOM 30 CB TYR T 3 -10.089 1.055 1.649 1.00 0.00 C ATOM 31 CG TYR T 3 -10.155 2.564 1.748 1.00 0.00 C ATOM 32 CD1 TYR T 3 -10.095 3.206 2.978 1.00 0.00 C ATOM 33 CD2 TYR T 3 -10.280 3.345 0.606 1.00 0.00 C ATOM 34 CE1 TYR T 3 -10.156 4.583 3.067 1.00 0.00 C ATOM 35 CE2 TYR T 3 -10.343 4.723 0.688 1.00 0.00 C ATOM 36 CZ TYR T 3 -10.280 5.337 1.920 1.00 0.00 C ATOM 37 OH TYR T 3 -10.341 6.709 2.006 1.00 0.00 O ATOM 0 H TYR T 3 -7.740 1.998 3.141 1.00 0.00 H new ATOM 0 HA TYR T 3 -9.015 -0.567 2.550 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -10.189 0.766 0.603 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -10.941 0.630 2.180 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -9.999 2.619 3.880 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -10.329 2.868 -0.361 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -10.107 5.067 4.031 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -10.441 5.316 -0.209 1.00 0.00 H new ATOM 0 HH TYR T 3 -10.427 7.090 1.107 1.00 0.00 H new ATOM 47 N HIS T 4 -7.795 -0.691 0.333 1.00 0.00 N ATOM 48 CA HIS T 4 -6.852 -0.892 -0.761 1.00 0.00 C ATOM 49 C HIS T 4 -7.393 -0.301 -2.058 1.00 0.00 C ATOM 50 O HIS T 4 -8.599 -0.328 -2.305 1.00 0.00 O ATOM 51 CB HIS T 4 -6.566 -2.383 -0.948 1.00 0.00 C ATOM 52 CG HIS T 4 -5.513 -2.670 -1.973 1.00 0.00 C ATOM 53 ND1 HIS T 4 -5.700 -3.551 -3.017 1.00 0.00 N ATOM 54 CD2 HIS T 4 -4.257 -2.185 -2.113 1.00 0.00 C ATOM 55 CE1 HIS T 4 -4.604 -3.597 -3.754 1.00 0.00 C ATOM 56 NE2 HIS T 4 -3.714 -2.777 -3.227 1.00 0.00 N ATOM 0 H HIS T 4 -8.481 -1.439 0.438 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.924 -0.380 -0.507 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -6.256 -2.807 0.007 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -7.488 -2.887 -1.236 1.00 0.00 H new ATOM 0 HD1 HIS T 4 -6.552 -4.084 -3.193 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -3.772 -1.466 -1.469 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -4.461 -4.202 -4.637 1.00 0.00 H new ATOM 65 N ARG T 5 -6.498 0.234 -2.882 1.00 0.00 N ATOM 66 CA ARG T 5 -6.897 0.832 -4.152 1.00 0.00 C ATOM 67 C ARG T 5 -5.759 0.786 -5.165 1.00 0.00 C ATOM 68 O ARG T 5 -4.584 0.812 -4.798 1.00 0.00 O ATOM 69 CB ARG T 5 -7.339 2.280 -3.933 1.00 0.00 C ATOM 70 CG ARG T 5 -8.809 2.427 -3.574 1.00 0.00 C ATOM 71 CD ARG T 5 -9.698 2.302 -4.801 1.00 0.00 C ATOM 72 NE ARG T 5 -9.990 3.601 -5.400 1.00 0.00 N ATOM 73 CZ ARG T 5 -10.798 3.766 -6.443 1.00 0.00 C ATOM 74 NH1 ARG T 5 -11.392 2.718 -6.997 1.00 0.00 N ATOM 75 NH2 ARG T 5 -11.013 4.980 -6.932 1.00 0.00 N ATOM 0 H ARG T 5 -5.496 0.266 -2.695 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.731 0.254 -4.550 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -6.735 2.718 -3.138 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -7.137 2.852 -4.838 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -9.084 1.665 -2.845 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -8.974 3.395 -3.101 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -9.210 1.664 -5.538 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -10.632 1.813 -4.524 1.00 0.00 H new ATOM 0 HE ARG T 5 -9.550 4.428 -4.996 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -11.229 1.783 -6.623 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -12.011 2.847 -7.797 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -10.558 5.789 -6.508 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -11.633 5.105 -7.732 1.00 0.00 H new ATOM 89 N GLU T 6 -6.116 0.725 -6.445 1.00 0.00 N ATOM 90 CA GLU T 6 -5.127 0.684 -7.516 1.00 0.00 C ATOM 91 C GLU T 6 -5.187 1.955 -8.354 1.00 0.00 C ATOM 92 O GLU T 6 -5.846 2.926 -7.982 1.00 0.00 O ATOM 93 CB GLU T 6 -5.352 -0.538 -8.410 1.00 0.00 C ATOM 94 CG GLU T 6 -6.579 -0.423 -9.301 1.00 0.00 C ATOM 95 CD GLU T 6 -7.875 -0.592 -8.532 1.00 0.00 C ATOM 96 OE1 GLU T 6 -8.077 -1.674 -7.942 1.00 0.00 O ATOM 97 OE2 GLU T 6 -8.687 0.356 -8.520 1.00 0.00 O ATOM 0 H GLU T 6 -7.084 0.703 -6.765 1.00 0.00 H new ATOM 0 HA GLU T 6 -4.140 0.611 -7.060 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -4.472 -0.687 -9.035 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -5.451 -1.424 -7.782 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -6.577 0.550 -9.793 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -6.526 -1.177 -10.086 1.00 0.00 H new ATOM 104 N ALA T 7 -4.495 1.939 -9.486 1.00 0.00 N ATOM 105 CA ALA T 7 -4.469 3.091 -10.379 1.00 0.00 C ATOM 106 C ALA T 7 -5.686 3.102 -11.297 1.00 0.00 C ATOM 107 O ALA T 7 -6.239 2.052 -11.625 1.00 0.00 O ATOM 108 CB ALA T 7 -3.188 3.093 -11.201 1.00 0.00 C ATOM 0 H ALA T 7 -3.945 1.142 -9.807 1.00 0.00 H new ATOM 0 HA ALA T 7 -4.498 3.993 -9.768 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -3.182 3.959 -11.863 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.328 3.141 -10.534 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -3.136 2.181 -11.796 1.00 0.00 H new ATOM 114 N ARG T 8 -6.099 4.297 -11.707 1.00 0.00 N ATOM 115 CA ARG T 8 -7.250 4.448 -12.588 1.00 0.00 C ATOM 116 C ARG T 8 -7.086 3.598 -13.844 1.00 0.00 C ATOM 117 O ARG T 8 -8.069 3.193 -14.464 1.00 0.00 O ATOM 118 CB ARG T 8 -7.434 5.917 -12.974 1.00 0.00 C ATOM 119 CG ARG T 8 -7.839 6.808 -11.810 1.00 0.00 C ATOM 120 CD ARG T 8 -9.264 7.318 -11.962 1.00 0.00 C ATOM 121 NE ARG T 8 -9.675 8.132 -10.822 1.00 0.00 N ATOM 122 CZ ARG T 8 -10.315 7.645 -9.764 1.00 0.00 C ATOM 123 NH1 ARG T 8 -10.614 6.355 -9.701 1.00 0.00 N ATOM 124 NH2 ARG T 8 -10.657 8.449 -8.766 1.00 0.00 N ATOM 0 H ARG T 8 -5.653 5.175 -11.443 1.00 0.00 H new ATOM 0 HA ARG T 8 -8.135 4.107 -12.051 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -6.503 6.291 -13.400 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -8.192 5.986 -13.754 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -7.749 6.251 -10.877 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -7.155 7.654 -11.744 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -9.343 7.907 -12.876 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -9.943 6.472 -12.068 1.00 0.00 H new ATOM 0 HE ARG T 8 -9.459 9.129 -10.838 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -10.353 5.733 -10.466 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -11.105 5.984 -8.887 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -10.429 9.442 -8.810 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -11.148 8.074 -7.954 1.00 0.00 H new ATOM 138 N SER T 9 -5.837 3.334 -14.211 1.00 0.00 N ATOM 139 CA SER T 9 -5.542 2.533 -15.394 1.00 0.00 C ATOM 140 C SER T 9 -5.406 1.059 -15.033 1.00 0.00 C ATOM 141 O SER T 9 -6.013 0.196 -15.668 1.00 0.00 O ATOM 142 CB SER T 9 -4.258 3.027 -16.063 1.00 0.00 C ATOM 143 OG SER T 9 -4.538 4.022 -17.032 1.00 0.00 O ATOM 0 H SER T 9 -5.013 3.662 -13.707 1.00 0.00 H new ATOM 0 HA SER T 9 -6.372 2.642 -16.092 1.00 0.00 H new ATOM 0 HB2 SER T 9 -3.583 3.430 -15.308 1.00 0.00 H new ATOM 0 HB3 SER T 9 -3.745 2.189 -16.535 1.00 0.00 H new ATOM 0 HG SER T 9 -3.701 4.322 -17.444 1.00 0.00 H new ATOM 149 N GLY T 10 -4.606 0.776 -14.013 1.00 0.00 N ATOM 150 CA GLY T 10 -4.403 -0.593 -13.588 1.00 0.00 C ATOM 151 C GLY T 10 -3.462 -0.700 -12.404 1.00 0.00 C ATOM 152 O GLY T 10 -2.911 0.299 -11.946 1.00 0.00 O ATOM 0 H GLY T 10 -4.094 1.473 -13.472 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -5.364 -1.035 -13.325 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -4.003 -1.173 -14.420 1.00 0.00 H new ATOM 156 N LYS T 11 -3.278 -1.921 -11.911 1.00 0.00 N ATOM 157 CA LYS T 11 -2.397 -2.165 -10.775 1.00 0.00 C ATOM 158 C LYS T 11 -0.940 -1.928 -11.159 1.00 0.00 C ATOM 159 O LYS T 11 -0.596 -1.904 -12.341 1.00 0.00 O ATOM 160 CB LYS T 11 -2.576 -3.596 -10.263 1.00 0.00 C ATOM 161 CG LYS T 11 -1.842 -3.869 -8.961 1.00 0.00 C ATOM 162 CD LYS T 11 -2.125 -5.269 -8.444 1.00 0.00 C ATOM 163 CE LYS T 11 -0.975 -6.218 -8.741 1.00 0.00 C ATOM 164 NZ LYS T 11 -0.691 -6.309 -10.199 1.00 0.00 N ATOM 0 H LYS T 11 -3.728 -2.758 -12.282 1.00 0.00 H new ATOM 0 HA LYS T 11 -2.664 -1.467 -9.981 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -3.639 -3.792 -10.120 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -2.223 -4.293 -11.023 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -0.770 -3.747 -9.114 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -2.143 -3.136 -8.212 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -2.299 -5.232 -7.369 1.00 0.00 H new ATOM 0 HD3 LYS T 11 -3.038 -5.649 -8.902 1.00 0.00 H new ATOM 0 HE2 LYS T 11 -0.081 -5.879 -8.218 1.00 0.00 H new ATOM 0 HE3 LYS T 11 -1.214 -7.209 -8.355 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 0.017 -7.052 -10.369 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -1.567 -6.542 -10.709 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 -0.324 -5.397 -10.539 1.00 0.00 H new ATOM 178 N TYR T 12 -0.089 -1.754 -10.153 1.00 0.00 N ATOM 179 CA TYR T 12 1.331 -1.518 -10.387 1.00 0.00 C ATOM 180 C TYR T 12 1.535 -0.370 -11.370 1.00 0.00 C ATOM 181 O TYR T 12 2.354 -0.458 -12.283 1.00 0.00 O ATOM 182 CB TYR T 12 1.999 -2.788 -10.919 1.00 0.00 C ATOM 183 CG TYR T 12 2.247 -3.837 -9.856 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.756 -3.680 -8.565 1.00 0.00 C ATOM 185 CD2 TYR T 12 2.973 -4.986 -10.146 1.00 0.00 C ATOM 186 CE1 TYR T 12 1.982 -4.639 -7.595 1.00 0.00 C ATOM 187 CE2 TYR T 12 3.203 -5.948 -9.181 1.00 0.00 C ATOM 188 CZ TYR T 12 2.705 -5.769 -7.907 1.00 0.00 C ATOM 189 OH TYR T 12 2.932 -6.725 -6.944 1.00 0.00 O ATOM 0 H TYR T 12 -0.358 -1.772 -9.169 1.00 0.00 H new ATOM 0 HA TYR T 12 1.792 -1.245 -9.437 1.00 0.00 H new ATOM 0 HB2 TYR T 12 1.372 -3.217 -11.701 1.00 0.00 H new ATOM 0 HB3 TYR T 12 2.949 -2.521 -11.382 1.00 0.00 H new ATOM 0 HD1 TYR T 12 1.189 -2.795 -8.316 1.00 0.00 H new ATOM 0 HD2 TYR T 12 3.364 -5.129 -11.142 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.593 -4.503 -6.597 1.00 0.00 H new ATOM 0 HE2 TYR T 12 3.770 -6.835 -9.423 1.00 0.00 H new ATOM 0 HH TYR T 12 3.457 -7.458 -7.328 1.00 0.00 H new ATOM 199 N LYS T 13 0.778 0.705 -11.176 1.00 0.00 N ATOM 200 CA LYS T 13 0.865 1.873 -12.042 1.00 0.00 C ATOM 201 C LYS T 13 0.826 3.158 -11.223 1.00 0.00 C ATOM 202 O LYS T 13 0.766 4.258 -11.775 1.00 0.00 O ATOM 203 CB LYS T 13 -0.287 1.861 -13.045 1.00 0.00 C ATOM 204 CG LYS T 13 0.106 1.353 -14.423 1.00 0.00 C ATOM 205 CD LYS T 13 -0.640 2.091 -15.524 1.00 0.00 C ATOM 206 CE LYS T 13 -1.395 1.129 -16.426 1.00 0.00 C ATOM 207 NZ LYS T 13 -0.531 0.008 -16.891 1.00 0.00 N ATOM 0 H LYS T 13 0.095 0.790 -10.423 1.00 0.00 H new ATOM 0 HA LYS T 13 1.813 1.835 -12.579 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -1.091 1.238 -12.654 1.00 0.00 H new ATOM 0 HB3 LYS T 13 -0.685 2.871 -13.140 1.00 0.00 H new ATOM 0 HG2 LYS T 13 1.180 1.476 -14.564 1.00 0.00 H new ATOM 0 HG3 LYS T 13 -0.104 0.286 -14.492 1.00 0.00 H new ATOM 0 HD2 LYS T 13 -1.339 2.799 -15.080 1.00 0.00 H new ATOM 0 HD3 LYS T 13 0.066 2.670 -16.118 1.00 0.00 H new ATOM 0 HE2 LYS T 13 -2.254 0.726 -15.889 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -1.783 1.670 -17.289 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -0.796 -0.255 -17.862 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 0.465 0.307 -16.873 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 -0.658 -0.811 -16.263 1.00 0.00 H new ATOM 221 N LEU T 14 0.847 3.013 -9.902 1.00 0.00 N ATOM 222 CA LEU T 14 0.801 4.158 -9.003 1.00 0.00 C ATOM 223 C LEU T 14 2.139 4.378 -8.310 1.00 0.00 C ATOM 224 O LEU T 14 2.826 3.426 -7.937 1.00 0.00 O ATOM 225 CB LEU T 14 -0.288 3.951 -7.954 1.00 0.00 C ATOM 226 CG LEU T 14 -1.698 4.351 -8.389 1.00 0.00 C ATOM 227 CD1 LEU T 14 -2.736 3.626 -7.548 1.00 0.00 C ATOM 228 CD2 LEU T 14 -1.880 5.857 -8.289 1.00 0.00 C ATOM 0 H LEU T 14 0.896 2.110 -9.430 1.00 0.00 H new ATOM 0 HA LEU T 14 0.577 5.042 -9.600 1.00 0.00 H new ATOM 0 HB2 LEU T 14 -0.298 2.899 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU T 14 -0.025 4.521 -7.063 1.00 0.00 H new ATOM 0 HG LEU T 14 -1.836 4.061 -9.430 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -3.735 3.921 -7.869 1.00 0.00 H new ATOM 0 HD12 LEU T 14 -2.618 2.550 -7.672 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -2.601 3.887 -6.498 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -2.889 6.123 -8.603 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -1.725 6.175 -7.258 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -1.156 6.355 -8.935 1.00 0.00 H new ATOM 240 N THR T 15 2.492 5.643 -8.130 1.00 0.00 N ATOM 241 CA THR T 15 3.734 6.010 -7.467 1.00 0.00 C ATOM 242 C THR T 15 3.432 6.728 -6.159 1.00 0.00 C ATOM 243 O THR T 15 2.387 7.360 -6.023 1.00 0.00 O ATOM 244 CB THR T 15 4.600 6.922 -8.356 1.00 0.00 C ATOM 245 OG1 THR T 15 4.262 8.294 -8.125 1.00 0.00 O ATOM 246 CG2 THR T 15 4.405 6.586 -9.827 1.00 0.00 C ATOM 0 H THR T 15 1.930 6.437 -8.437 1.00 0.00 H new ATOM 0 HA THR T 15 4.288 5.092 -7.270 1.00 0.00 H new ATOM 0 HB THR T 15 5.646 6.758 -8.098 1.00 0.00 H new ATOM 0 HG1 THR T 15 4.818 8.868 -8.693 1.00 0.00 H new ATOM 0 HG21 THR T 15 5.026 7.243 -10.436 1.00 0.00 H new ATOM 0 HG22 THR T 15 4.691 5.549 -10.004 1.00 0.00 H new ATOM 0 HG23 THR T 15 3.358 6.725 -10.096 1.00 0.00 H new ATOM 254 N TYR T 16 4.340 6.628 -5.195 1.00 0.00 N ATOM 255 CA TYR T 16 4.142 7.275 -3.904 1.00 0.00 C ATOM 256 C TYR T 16 3.487 8.642 -4.076 1.00 0.00 C ATOM 257 O TYR T 16 2.624 9.033 -3.291 1.00 0.00 O ATOM 258 CB TYR T 16 5.472 7.431 -3.170 1.00 0.00 C ATOM 259 CG TYR T 16 5.361 8.228 -1.891 1.00 0.00 C ATOM 260 CD1 TYR T 16 4.823 7.662 -0.741 1.00 0.00 C ATOM 261 CD2 TYR T 16 5.792 9.547 -1.836 1.00 0.00 C ATOM 262 CE1 TYR T 16 4.720 8.390 0.429 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.691 10.281 -0.668 1.00 0.00 C ATOM 264 CZ TYR T 16 5.156 9.698 0.460 1.00 0.00 C ATOM 265 OH TYR T 16 5.054 10.425 1.623 1.00 0.00 O ATOM 0 H TYR T 16 5.214 6.109 -5.282 1.00 0.00 H new ATOM 0 HA TYR T 16 3.482 6.641 -3.312 1.00 0.00 H new ATOM 0 HB2 TYR T 16 5.870 6.443 -2.940 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.189 7.917 -3.832 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.480 6.638 -0.762 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.212 10.007 -2.718 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.300 7.937 1.315 1.00 0.00 H new ATOM 0 HE2 TYR T 16 6.030 11.306 -0.640 1.00 0.00 H new ATOM 0 HH TYR T 16 5.406 11.328 1.477 1.00 0.00 H new ATOM 275 N ALA T 17 3.907 9.363 -5.110 1.00 0.00 N ATOM 276 CA ALA T 17 3.366 10.686 -5.388 1.00 0.00 C ATOM 277 C ALA T 17 1.928 10.604 -5.893 1.00 0.00 C ATOM 278 O ALA T 17 1.082 11.411 -5.508 1.00 0.00 O ATOM 279 CB ALA T 17 4.247 11.410 -6.395 1.00 0.00 C ATOM 0 H ALA T 17 4.621 9.052 -5.769 1.00 0.00 H new ATOM 0 HA ALA T 17 3.356 11.251 -4.456 1.00 0.00 H new ATOM 0 HB1 ALA T 17 3.833 12.398 -6.596 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.254 11.513 -5.990 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.286 10.838 -7.322 1.00 0.00 H new ATOM 285 N GLU T 18 1.652 9.623 -6.748 1.00 0.00 N ATOM 286 CA GLU T 18 0.315 9.440 -7.291 1.00 0.00 C ATOM 287 C GLU T 18 -0.606 8.828 -6.243 1.00 0.00 C ATOM 288 O GLU T 18 -1.692 9.343 -5.974 1.00 0.00 O ATOM 289 CB GLU T 18 0.374 8.542 -8.525 1.00 0.00 C ATOM 290 CG GLU T 18 1.243 9.098 -9.640 1.00 0.00 C ATOM 291 CD GLU T 18 1.366 8.148 -10.815 1.00 0.00 C ATOM 292 OE1 GLU T 18 1.332 6.920 -10.591 1.00 0.00 O ATOM 293 OE2 GLU T 18 1.499 8.632 -11.959 1.00 0.00 O ATOM 0 H GLU T 18 2.338 8.944 -7.078 1.00 0.00 H new ATOM 0 HA GLU T 18 -0.083 10.414 -7.576 1.00 0.00 H new ATOM 0 HB2 GLU T 18 0.754 7.563 -8.234 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.637 8.392 -8.904 1.00 0.00 H new ATOM 0 HG2 GLU T 18 0.824 10.043 -9.985 1.00 0.00 H new ATOM 0 HG3 GLU T 18 2.237 9.314 -9.247 1.00 0.00 H new ATOM 300 N ALA T 19 -0.155 7.727 -5.651 1.00 0.00 N ATOM 301 CA ALA T 19 -0.921 7.034 -4.624 1.00 0.00 C ATOM 302 C ALA T 19 -1.435 8.010 -3.572 1.00 0.00 C ATOM 303 O ALA T 19 -2.616 8.000 -3.223 1.00 0.00 O ATOM 304 CB ALA T 19 -0.060 5.964 -3.974 1.00 0.00 C ATOM 0 H ALA T 19 0.743 7.294 -5.867 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.784 6.564 -5.096 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.638 5.449 -3.207 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.261 5.247 -4.729 1.00 0.00 H new ATOM 0 HB3 ALA T 19 0.815 6.428 -3.519 1.00 0.00 H new ATOM 310 N LYS T 20 -0.540 8.855 -3.074 1.00 0.00 N ATOM 311 CA LYS T 20 -0.896 9.842 -2.064 1.00 0.00 C ATOM 312 C LYS T 20 -1.882 10.855 -2.630 1.00 0.00 C ATOM 313 O LYS T 20 -2.942 11.092 -2.056 1.00 0.00 O ATOM 314 CB LYS T 20 0.357 10.558 -1.565 1.00 0.00 C ATOM 315 CG LYS T 20 0.177 11.243 -0.220 1.00 0.00 C ATOM 316 CD LYS T 20 1.366 10.998 0.696 1.00 0.00 C ATOM 317 CE LYS T 20 1.133 11.580 2.081 1.00 0.00 C ATOM 318 NZ LYS T 20 2.337 12.288 2.596 1.00 0.00 N ATOM 0 H LYS T 20 0.440 8.876 -3.355 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.368 9.326 -1.228 1.00 0.00 H new ATOM 0 HB2 LYS T 20 1.171 9.837 -1.489 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.658 11.301 -2.303 1.00 0.00 H new ATOM 0 HG2 LYS T 20 0.048 12.315 -0.371 1.00 0.00 H new ATOM 0 HG3 LYS T 20 -0.732 10.877 0.257 1.00 0.00 H new ATOM 0 HD2 LYS T 20 1.549 9.927 0.777 1.00 0.00 H new ATOM 0 HD3 LYS T 20 2.260 11.442 0.259 1.00 0.00 H new ATOM 0 HE2 LYS T 20 0.292 12.272 2.047 1.00 0.00 H new ATOM 0 HE3 LYS T 20 0.860 10.780 2.770 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 2.291 12.342 3.634 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 3.193 11.768 2.314 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 2.370 13.249 2.201 1.00 0.00 H new ATOM 332 N ALA T 21 -1.521 11.449 -3.762 1.00 0.00 N ATOM 333 CA ALA T 21 -2.372 12.439 -4.411 1.00 0.00 C ATOM 334 C ALA T 21 -3.828 11.987 -4.436 1.00 0.00 C ATOM 335 O ALA T 21 -4.741 12.797 -4.289 1.00 0.00 O ATOM 336 CB ALA T 21 -1.881 12.712 -5.825 1.00 0.00 C ATOM 0 H ALA T 21 -0.645 11.262 -4.249 1.00 0.00 H new ATOM 0 HA ALA T 21 -2.316 13.361 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -2.526 13.453 -6.297 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -0.859 13.090 -5.789 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -1.905 11.788 -6.403 1.00 0.00 H new ATOM 342 N VAL T 22 -4.038 10.687 -4.621 1.00 0.00 N ATOM 343 CA VAL T 22 -5.384 10.128 -4.665 1.00 0.00 C ATOM 344 C VAL T 22 -6.035 10.149 -3.289 1.00 0.00 C ATOM 345 O VAL T 22 -7.128 10.689 -3.116 1.00 0.00 O ATOM 346 CB VAL T 22 -5.375 8.682 -5.197 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.640 7.947 -4.780 1.00 0.00 C ATOM 348 CG2 VAL T 22 -5.218 8.671 -6.710 1.00 0.00 C ATOM 0 H VAL T 22 -3.293 10.001 -4.743 1.00 0.00 H new ATOM 0 HA VAL T 22 -5.963 10.753 -5.345 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.522 8.161 -4.761 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.613 6.928 -5.166 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.704 7.921 -3.692 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.511 8.464 -5.182 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -5.214 7.641 -7.068 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -6.048 9.210 -7.166 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.279 9.153 -6.982 1.00 0.00 H new ATOM 358 N CYS T 23 -5.360 9.559 -2.314 1.00 0.00 N ATOM 359 CA CYS T 23 -5.872 9.512 -0.953 1.00 0.00 C ATOM 360 C CYS T 23 -6.028 10.922 -0.395 1.00 0.00 C ATOM 361 O CYS T 23 -7.065 11.267 0.169 1.00 0.00 O ATOM 362 CB CYS T 23 -4.938 8.691 -0.068 1.00 0.00 C ATOM 363 SG CYS T 23 -5.016 6.895 -0.375 1.00 0.00 S ATOM 0 H CYS T 23 -4.455 9.106 -2.440 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.852 9.035 -0.965 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -3.914 9.032 -0.223 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -5.183 8.882 0.977 1.00 0.00 H new ATOM 368 N GLU T 24 -4.989 11.733 -0.567 1.00 0.00 N ATOM 369 CA GLU T 24 -5.007 13.111 -0.092 1.00 0.00 C ATOM 370 C GLU T 24 -5.960 13.956 -0.932 1.00 0.00 C ATOM 371 O GLU T 24 -6.370 15.042 -0.523 1.00 0.00 O ATOM 372 CB GLU T 24 -3.598 13.706 -0.142 1.00 0.00 C ATOM 373 CG GLU T 24 -3.517 15.133 0.377 1.00 0.00 C ATOM 374 CD GLU T 24 -2.101 15.673 0.386 1.00 0.00 C ATOM 375 OE1 GLU T 24 -1.376 15.422 1.371 1.00 0.00 O ATOM 376 OE2 GLU T 24 -1.715 16.346 -0.594 1.00 0.00 O ATOM 0 H GLU T 24 -4.124 11.459 -1.032 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.357 13.114 0.940 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -2.927 13.077 0.444 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -3.240 13.682 -1.171 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -4.143 15.776 -0.242 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -3.922 15.171 1.388 1.00 0.00 H new ATOM 383 N PHE T 25 -6.308 13.444 -2.109 1.00 0.00 N ATOM 384 CA PHE T 25 -7.214 14.143 -3.013 1.00 0.00 C ATOM 385 C PHE T 25 -8.505 14.522 -2.299 1.00 0.00 C ATOM 386 O PHE T 25 -8.965 15.660 -2.383 1.00 0.00 O ATOM 387 CB PHE T 25 -7.528 13.266 -4.225 1.00 0.00 C ATOM 388 CG PHE T 25 -7.498 14.008 -5.530 1.00 0.00 C ATOM 389 CD1 PHE T 25 -6.292 14.391 -6.095 1.00 0.00 C ATOM 390 CD2 PHE T 25 -8.674 14.320 -6.193 1.00 0.00 C ATOM 391 CE1 PHE T 25 -6.259 15.070 -7.297 1.00 0.00 C ATOM 392 CE2 PHE T 25 -8.647 15.000 -7.395 1.00 0.00 C ATOM 393 CZ PHE T 25 -7.438 15.377 -7.948 1.00 0.00 C ATOM 0 H PHE T 25 -5.975 12.546 -2.459 1.00 0.00 H new ATOM 0 HA PHE T 25 -6.724 15.057 -3.349 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -6.810 12.447 -4.266 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -8.513 12.819 -4.094 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -5.367 14.156 -5.589 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -9.622 14.028 -5.765 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -5.312 15.361 -7.728 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -9.570 15.237 -7.902 1.00 0.00 H new ATOM 0 HZ PHE T 25 -7.415 15.910 -8.887 1.00 0.00 H new ATOM 403 N GLU T 26 -9.084 13.555 -1.598 1.00 0.00 N ATOM 404 CA GLU T 26 -10.327 13.776 -0.866 1.00 0.00 C ATOM 405 C GLU T 26 -10.065 13.888 0.631 1.00 0.00 C ATOM 406 O GLU T 26 -10.663 13.172 1.435 1.00 0.00 O ATOM 407 CB GLU T 26 -11.309 12.641 -1.145 1.00 0.00 C ATOM 408 CG GLU T 26 -11.459 12.329 -2.623 1.00 0.00 C ATOM 409 CD GLU T 26 -12.496 11.256 -2.891 1.00 0.00 C ATOM 410 OE1 GLU T 26 -12.456 10.210 -2.211 1.00 0.00 O ATOM 411 OE2 GLU T 26 -13.347 11.462 -3.782 1.00 0.00 O ATOM 0 H GLU T 26 -8.713 12.608 -1.520 1.00 0.00 H new ATOM 0 HA GLU T 26 -10.762 14.715 -1.207 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -10.975 11.744 -0.623 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.284 12.904 -0.735 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -11.737 13.238 -3.156 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.497 12.007 -3.022 1.00 0.00 H new ATOM 418 N GLY T 27 -9.167 14.794 0.994 1.00 0.00 N ATOM 419 CA GLY T 27 -8.831 14.999 2.390 1.00 0.00 C ATOM 420 C GLY T 27 -8.552 13.695 3.111 1.00 0.00 C ATOM 421 O GLY T 27 -8.996 13.496 4.242 1.00 0.00 O ATOM 0 H GLY T 27 -8.662 15.394 0.342 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -7.956 15.645 2.460 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -9.651 15.518 2.886 1.00 0.00 H new ATOM 425 N GLY T 28 -7.811 12.805 2.458 1.00 0.00 N ATOM 426 CA GLY T 28 -7.485 11.525 3.061 1.00 0.00 C ATOM 427 C GLY T 28 -5.986 11.305 3.127 1.00 0.00 C ATOM 428 O GLY T 28 -5.211 12.112 2.615 1.00 0.00 O ATOM 0 H GLY T 28 -7.431 12.947 1.522 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -7.905 11.478 4.066 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -7.946 10.723 2.485 1.00 0.00 H new ATOM 432 N HIS T 29 -5.575 10.212 3.762 1.00 0.00 N ATOM 433 CA HIS T 29 -4.165 9.892 3.894 1.00 0.00 C ATOM 434 C HIS T 29 -3.891 8.474 3.417 1.00 0.00 C ATOM 435 O HIS T 29 -4.687 7.567 3.657 1.00 0.00 O ATOM 436 CB HIS T 29 -3.729 10.042 5.350 1.00 0.00 C ATOM 437 CG HIS T 29 -4.871 10.202 6.306 1.00 0.00 C ATOM 438 ND1 HIS T 29 -5.919 11.072 6.091 1.00 0.00 N ATOM 439 CD2 HIS T 29 -5.122 9.598 7.489 1.00 0.00 C ATOM 440 CE1 HIS T 29 -6.766 10.997 7.102 1.00 0.00 C ATOM 441 NE2 HIS T 29 -6.306 10.109 7.964 1.00 0.00 N ATOM 0 H HIS T 29 -6.203 9.534 4.193 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.595 10.584 3.275 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -3.146 9.167 5.637 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -3.071 10.906 5.436 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -4.507 8.853 7.971 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -7.679 11.565 7.206 1.00 0.00 H new ATOM 0 HE2 HIS T 29 -6.756 9.845 8.840 1.00 0.00 H new ATOM 450 N LEU T 30 -2.762 8.281 2.748 1.00 0.00 N ATOM 451 CA LEU T 30 -2.403 6.960 2.255 1.00 0.00 C ATOM 452 C LEU T 30 -1.891 6.097 3.399 1.00 0.00 C ATOM 453 O LEU T 30 -0.973 6.482 4.123 1.00 0.00 O ATOM 454 CB LEU T 30 -1.371 7.057 1.129 1.00 0.00 C ATOM 455 CG LEU T 30 -0.007 6.434 1.424 1.00 0.00 C ATOM 456 CD1 LEU T 30 0.074 5.038 0.828 1.00 0.00 C ATOM 457 CD2 LEU T 30 1.112 7.313 0.881 1.00 0.00 C ATOM 0 H LEU T 30 -2.086 9.015 2.536 1.00 0.00 H new ATOM 0 HA LEU T 30 -3.294 6.489 1.841 1.00 0.00 H new ATOM 0 HB2 LEU T 30 -1.784 6.579 0.241 1.00 0.00 H new ATOM 0 HB3 LEU T 30 -1.224 8.109 0.885 1.00 0.00 H new ATOM 0 HG LEU T 30 0.113 6.358 2.505 1.00 0.00 H new ATOM 0 HD11 LEU T 30 1.051 4.606 1.045 1.00 0.00 H new ATOM 0 HD12 LEU T 30 -0.705 4.411 1.262 1.00 0.00 H new ATOM 0 HD13 LEU T 30 -0.066 5.095 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU T 30 2.075 6.853 1.101 1.00 0.00 H new ATOM 0 HD22 LEU T 30 0.999 7.421 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU T 30 1.064 8.295 1.351 1.00 0.00 H new ATOM 469 N ALA T 31 -2.511 4.938 3.565 1.00 0.00 N ATOM 470 CA ALA T 31 -2.147 4.017 4.633 1.00 0.00 C ATOM 471 C ALA T 31 -0.640 3.796 4.698 1.00 0.00 C ATOM 472 O ALA T 31 0.060 3.912 3.692 1.00 0.00 O ATOM 473 CB ALA T 31 -2.869 2.691 4.456 1.00 0.00 C ATOM 0 H ALA T 31 -3.273 4.611 2.970 1.00 0.00 H new ATOM 0 HA ALA T 31 -2.455 4.467 5.577 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.587 2.013 5.261 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -3.946 2.857 4.482 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -2.592 2.251 3.498 1.00 0.00 H new ATOM 479 N THR T 32 -0.149 3.474 5.892 1.00 0.00 N ATOM 480 CA THR T 32 1.274 3.233 6.097 1.00 0.00 C ATOM 481 C THR T 32 1.549 1.758 6.363 1.00 0.00 C ATOM 482 O THR T 32 0.751 0.891 6.007 1.00 0.00 O ATOM 483 CB THR T 32 1.819 4.051 7.281 1.00 0.00 C ATOM 484 OG1 THR T 32 1.446 3.429 8.519 1.00 0.00 O ATOM 485 CG2 THR T 32 1.291 5.475 7.243 1.00 0.00 C ATOM 0 H THR T 32 -0.718 3.374 6.733 1.00 0.00 H new ATOM 0 HA THR T 32 1.777 3.542 5.181 1.00 0.00 H new ATOM 0 HB THR T 32 2.906 4.082 7.204 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.926 3.858 9.258 1.00 0.00 H new ATOM 0 HG21 THR T 32 1.690 6.034 8.090 1.00 0.00 H new ATOM 0 HG22 THR T 32 1.601 5.953 6.314 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.202 5.461 7.298 1.00 0.00 H new ATOM 493 N TYR T 33 2.679 1.486 7.005 1.00 0.00 N ATOM 494 CA TYR T 33 3.059 0.118 7.338 1.00 0.00 C ATOM 495 C TYR T 33 2.328 -0.339 8.591 1.00 0.00 C ATOM 496 O TYR T 33 1.378 -1.117 8.523 1.00 0.00 O ATOM 497 CB TYR T 33 4.571 0.022 7.557 1.00 0.00 C ATOM 498 CG TYR T 33 5.013 -1.210 8.318 1.00 0.00 C ATOM 499 CD1 TYR T 33 4.908 -2.477 7.756 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.534 -1.104 9.602 1.00 0.00 C ATOM 501 CE1 TYR T 33 5.311 -3.601 8.452 1.00 0.00 C ATOM 502 CE2 TYR T 33 5.939 -2.223 10.303 1.00 0.00 C ATOM 503 CZ TYR T 33 5.825 -3.469 9.725 1.00 0.00 C ATOM 504 OH TYR T 33 6.226 -4.586 10.420 1.00 0.00 O ATOM 0 H TYR T 33 3.348 2.195 7.305 1.00 0.00 H new ATOM 0 HA TYR T 33 2.781 -0.529 6.506 1.00 0.00 H new ATOM 0 HB2 TYR T 33 5.068 0.034 6.587 1.00 0.00 H new ATOM 0 HB3 TYR T 33 4.905 0.908 8.097 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.505 -2.585 6.760 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.624 -0.130 10.060 1.00 0.00 H new ATOM 0 HE1 TYR T 33 5.224 -4.578 8.001 1.00 0.00 H new ATOM 0 HE2 TYR T 33 6.343 -2.122 11.299 1.00 0.00 H new ATOM 0 HH TYR T 33 6.565 -4.320 11.300 1.00 0.00 H new ATOM 514 N LYS T 34 2.781 0.160 9.733 1.00 0.00 N ATOM 515 CA LYS T 34 2.178 -0.182 11.013 1.00 0.00 C ATOM 516 C LYS T 34 0.661 -0.057 10.946 1.00 0.00 C ATOM 517 O LYS T 34 -0.063 -0.845 11.556 1.00 0.00 O ATOM 518 CB LYS T 34 2.728 0.720 12.119 1.00 0.00 C ATOM 519 CG LYS T 34 4.154 0.396 12.536 1.00 0.00 C ATOM 520 CD LYS T 34 4.245 0.087 14.021 1.00 0.00 C ATOM 521 CE LYS T 34 5.690 -0.037 14.478 1.00 0.00 C ATOM 522 NZ LYS T 34 6.384 -1.179 13.821 1.00 0.00 N ATOM 0 H LYS T 34 3.568 0.806 9.798 1.00 0.00 H new ATOM 0 HA LYS T 34 2.431 -1.217 11.242 1.00 0.00 H new ATOM 0 HB2 LYS T 34 2.686 1.756 11.782 1.00 0.00 H new ATOM 0 HB3 LYS T 34 2.080 0.642 12.992 1.00 0.00 H new ATOM 0 HG2 LYS T 34 4.516 -0.458 11.963 1.00 0.00 H new ATOM 0 HG3 LYS T 34 4.804 1.238 12.298 1.00 0.00 H new ATOM 0 HD2 LYS T 34 3.749 0.875 14.588 1.00 0.00 H new ATOM 0 HD3 LYS T 34 3.714 -0.841 14.234 1.00 0.00 H new ATOM 0 HE2 LYS T 34 6.222 0.888 14.255 1.00 0.00 H new ATOM 0 HE3 LYS T 34 5.719 -0.168 15.560 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 7.230 -1.434 14.370 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 5.742 -1.996 13.776 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 6.666 -0.906 12.858 1.00 0.00 H new ATOM 536 N GLN T 35 0.181 0.932 10.198 1.00 0.00 N ATOM 537 CA GLN T 35 -1.248 1.146 10.052 1.00 0.00 C ATOM 538 C GLN T 35 -1.879 -0.003 9.281 1.00 0.00 C ATOM 539 O GLN T 35 -2.799 -0.661 9.768 1.00 0.00 O ATOM 540 CB GLN T 35 -1.513 2.468 9.334 1.00 0.00 C ATOM 541 CG GLN T 35 -1.045 3.687 10.111 1.00 0.00 C ATOM 542 CD GLN T 35 -1.266 4.982 9.354 1.00 0.00 C ATOM 543 OE1 GLN T 35 -1.546 4.973 8.155 1.00 0.00 O ATOM 544 NE2 GLN T 35 -1.142 6.104 10.052 1.00 0.00 N ATOM 0 H GLN T 35 0.763 1.595 9.686 1.00 0.00 H new ATOM 0 HA GLN T 35 -1.696 1.188 11.045 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.014 2.452 8.365 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -2.582 2.559 9.141 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -1.575 3.732 11.063 1.00 0.00 H new ATOM 0 HG3 GLN T 35 0.015 3.581 10.341 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -0.909 6.064 11.044 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -1.280 7.006 9.596 1.00 0.00 H new ATOM 553 N LEU T 36 -1.367 -0.254 8.080 1.00 0.00 N ATOM 554 CA LEU T 36 -1.877 -1.341 7.258 1.00 0.00 C ATOM 555 C LEU T 36 -1.786 -2.649 8.031 1.00 0.00 C ATOM 556 O LEU T 36 -2.529 -3.594 7.770 1.00 0.00 O ATOM 557 CB LEU T 36 -1.093 -1.444 5.947 1.00 0.00 C ATOM 558 CG LEU T 36 -1.814 -2.167 4.805 1.00 0.00 C ATOM 559 CD1 LEU T 36 -1.685 -3.673 4.963 1.00 0.00 C ATOM 560 CD2 LEU T 36 -3.278 -1.758 4.749 1.00 0.00 C ATOM 0 H LEU T 36 -0.605 0.277 7.659 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.920 -1.138 7.013 1.00 0.00 H new ATOM 0 HB2 LEU T 36 -0.840 -0.437 5.615 1.00 0.00 H new ATOM 0 HB3 LEU T 36 -0.153 -1.960 6.145 1.00 0.00 H new ATOM 0 HG LEU T 36 -1.343 -1.878 3.865 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -2.203 -4.171 4.143 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -0.631 -3.951 4.949 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -2.128 -3.979 5.911 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -3.771 -2.283 3.931 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -3.764 -2.015 5.690 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -3.349 -0.683 4.585 1.00 0.00 H new ATOM 572 N GLU T 37 -0.874 -2.683 8.997 1.00 0.00 N ATOM 573 CA GLU T 37 -0.682 -3.859 9.831 1.00 0.00 C ATOM 574 C GLU T 37 -1.910 -4.094 10.698 1.00 0.00 C ATOM 575 O GLU T 37 -2.581 -5.119 10.582 1.00 0.00 O ATOM 576 CB GLU T 37 0.551 -3.687 10.717 1.00 0.00 C ATOM 577 CG GLU T 37 0.908 -4.934 11.504 1.00 0.00 C ATOM 578 CD GLU T 37 1.828 -5.865 10.738 1.00 0.00 C ATOM 579 OE1 GLU T 37 2.617 -5.369 9.907 1.00 0.00 O ATOM 580 OE2 GLU T 37 1.759 -7.090 10.971 1.00 0.00 O ATOM 0 H GLU T 37 -0.254 -1.904 9.221 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.533 -4.722 9.182 1.00 0.00 H new ATOM 0 HB2 GLU T 37 1.400 -3.404 10.094 1.00 0.00 H new ATOM 0 HB3 GLU T 37 0.378 -2.865 11.412 1.00 0.00 H new ATOM 0 HG2 GLU T 37 1.387 -4.644 12.439 1.00 0.00 H new ATOM 0 HG3 GLU T 37 -0.006 -5.467 11.766 1.00 0.00 H new ATOM 587 N ALA T 38 -2.196 -3.129 11.561 1.00 0.00 N ATOM 588 CA ALA T 38 -3.345 -3.217 12.447 1.00 0.00 C ATOM 589 C ALA T 38 -4.633 -3.336 11.646 1.00 0.00 C ATOM 590 O ALA T 38 -5.684 -3.691 12.182 1.00 0.00 O ATOM 591 CB ALA T 38 -3.398 -2.010 13.370 1.00 0.00 C ATOM 0 H ALA T 38 -1.647 -2.276 11.665 1.00 0.00 H new ATOM 0 HA ALA T 38 -3.240 -4.114 13.058 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -4.264 -2.092 14.027 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -2.489 -1.971 13.971 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -3.478 -1.100 12.775 1.00 0.00 H new ATOM 597 N ALA T 39 -4.539 -3.053 10.353 1.00 0.00 N ATOM 598 CA ALA T 39 -5.685 -3.143 9.462 1.00 0.00 C ATOM 599 C ALA T 39 -5.694 -4.498 8.779 1.00 0.00 C ATOM 600 O ALA T 39 -6.743 -5.029 8.422 1.00 0.00 O ATOM 601 CB ALA T 39 -5.641 -2.030 8.428 1.00 0.00 C ATOM 0 H ALA T 39 -3.675 -2.758 9.898 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.599 -3.032 10.046 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.505 -2.111 7.769 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -5.659 -1.064 8.932 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -4.727 -2.115 7.840 1.00 0.00 H new ATOM 607 N ARG T 40 -4.505 -5.055 8.621 1.00 0.00 N ATOM 608 CA ARG T 40 -4.339 -6.356 8.003 1.00 0.00 C ATOM 609 C ARG T 40 -4.854 -7.440 8.934 1.00 0.00 C ATOM 610 O ARG T 40 -5.372 -8.465 8.493 1.00 0.00 O ATOM 611 CB ARG T 40 -2.862 -6.593 7.703 1.00 0.00 C ATOM 612 CG ARG T 40 -2.540 -8.027 7.318 1.00 0.00 C ATOM 613 CD ARG T 40 -1.041 -8.273 7.269 1.00 0.00 C ATOM 614 NE ARG T 40 -0.615 -9.284 8.233 1.00 0.00 N ATOM 615 CZ ARG T 40 -0.505 -9.056 9.538 1.00 0.00 C ATOM 616 NH1 ARG T 40 -0.787 -7.858 10.031 1.00 0.00 N ATOM 617 NH2 ARG T 40 -0.112 -10.026 10.352 1.00 0.00 N ATOM 0 H ARG T 40 -3.632 -4.619 8.917 1.00 0.00 H new ATOM 0 HA ARG T 40 -4.907 -6.387 7.073 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.554 -5.931 6.894 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -2.274 -6.321 8.579 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -2.997 -8.708 8.036 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -2.977 -8.249 6.345 1.00 0.00 H new ATOM 0 HD2 ARG T 40 -0.759 -8.590 6.265 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -0.515 -7.339 7.468 1.00 0.00 H new ATOM 0 HE ARG T 40 -0.389 -10.216 7.886 1.00 0.00 H new ATOM 0 HH11 ARG T 40 -1.089 -7.109 9.409 1.00 0.00 H new ATOM 0 HH12 ARG T 40 -0.702 -7.686 11.033 1.00 0.00 H new ATOM 0 HH21 ARG T 40 0.107 -10.949 9.977 1.00 0.00 H new ATOM 0 HH22 ARG T 40 -0.028 -9.849 11.353 1.00 0.00 H new ATOM 631 N LYS T 41 -4.702 -7.199 10.230 1.00 0.00 N ATOM 632 CA LYS T 41 -5.144 -8.149 11.237 1.00 0.00 C ATOM 633 C LYS T 41 -6.664 -8.270 11.251 1.00 0.00 C ATOM 634 O LYS T 41 -7.212 -9.237 11.782 1.00 0.00 O ATOM 635 CB LYS T 41 -4.638 -7.734 12.618 1.00 0.00 C ATOM 636 CG LYS T 41 -3.154 -7.411 12.646 1.00 0.00 C ATOM 637 CD LYS T 41 -2.550 -7.680 14.015 1.00 0.00 C ATOM 638 CE LYS T 41 -2.305 -6.390 14.781 1.00 0.00 C ATOM 639 NZ LYS T 41 -2.514 -6.565 16.244 1.00 0.00 N ATOM 0 H LYS T 41 -4.275 -6.352 10.607 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.727 -9.124 10.984 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -5.198 -6.862 12.955 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -4.841 -8.537 13.327 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -2.637 -8.008 11.895 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -3.003 -6.365 12.380 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -3.218 -8.323 14.588 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -1.610 -8.219 13.899 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -1.287 -6.047 14.598 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -2.974 -5.614 14.409 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 -2.337 -5.663 16.730 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 -3.493 -6.868 16.421 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 -1.858 -7.287 16.604 1.00 0.00 H new ATOM 653 N ILE T 42 -7.340 -7.289 10.664 1.00 0.00 N ATOM 654 CA ILE T 42 -8.793 -7.292 10.611 1.00 0.00 C ATOM 655 C ILE T 42 -9.285 -7.983 9.345 1.00 0.00 C ATOM 656 O ILE T 42 -10.443 -8.390 9.254 1.00 0.00 O ATOM 657 CB ILE T 42 -9.346 -5.858 10.647 1.00 0.00 C ATOM 658 CG1 ILE T 42 -9.186 -5.203 9.276 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.631 -5.044 11.716 1.00 0.00 C ATOM 660 CD1 ILE T 42 -10.427 -4.489 8.792 1.00 0.00 C ATOM 0 H ILE T 42 -6.903 -6.482 10.219 1.00 0.00 H new ATOM 0 HA ILE T 42 -9.152 -7.837 11.484 1.00 0.00 H new ATOM 0 HB ILE T 42 -10.407 -5.893 10.895 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -8.362 -4.491 9.318 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -8.911 -5.967 8.549 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -9.032 -4.031 11.731 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.783 -5.509 12.690 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -7.564 -5.009 11.494 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -10.236 -4.050 7.813 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -11.250 -5.200 8.716 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.692 -3.701 9.497 1.00 0.00 H new ATOM 672 N GLY T 43 -8.392 -8.105 8.368 1.00 0.00 N ATOM 673 CA GLY T 43 -8.741 -8.740 7.113 1.00 0.00 C ATOM 674 C GLY T 43 -8.258 -7.937 5.920 1.00 0.00 C ATOM 675 O GLY T 43 -8.705 -8.158 4.794 1.00 0.00 O ATOM 0 H GLY T 43 -7.429 -7.773 8.425 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -8.306 -9.739 7.078 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -9.823 -8.861 7.056 1.00 0.00 H new ATOM 679 N PHE T 44 -7.345 -7.001 6.167 1.00 0.00 N ATOM 680 CA PHE T 44 -6.805 -6.163 5.103 1.00 0.00 C ATOM 681 C PHE T 44 -5.667 -6.871 4.374 1.00 0.00 C ATOM 682 O PHE T 44 -4.493 -6.603 4.626 1.00 0.00 O ATOM 683 CB PHE T 44 -6.309 -4.837 5.676 1.00 0.00 C ATOM 684 CG PHE T 44 -6.241 -3.723 4.670 1.00 0.00 C ATOM 685 CD1 PHE T 44 -5.735 -3.945 3.399 1.00 0.00 C ATOM 686 CD2 PHE T 44 -6.684 -2.453 4.998 1.00 0.00 C ATOM 687 CE1 PHE T 44 -5.673 -2.919 2.474 1.00 0.00 C ATOM 688 CE2 PHE T 44 -6.624 -1.425 4.079 1.00 0.00 C ATOM 689 CZ PHE T 44 -6.119 -1.657 2.815 1.00 0.00 C ATOM 0 H PHE T 44 -6.965 -6.805 7.093 1.00 0.00 H new ATOM 0 HA PHE T 44 -7.604 -5.968 4.388 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -6.967 -4.537 6.491 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -5.318 -4.986 6.105 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -5.385 -4.930 3.128 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -7.081 -2.265 5.984 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -5.277 -3.104 1.487 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -6.972 -0.439 4.349 1.00 0.00 H new ATOM 0 HZ PHE T 44 -6.073 -0.854 2.095 1.00 0.00 H new ATOM 699 N HIS T 45 -6.025 -7.773 3.468 1.00 0.00 N ATOM 700 CA HIS T 45 -5.035 -8.517 2.700 1.00 0.00 C ATOM 701 C HIS T 45 -5.074 -8.110 1.231 1.00 0.00 C ATOM 702 O HIS T 45 -6.133 -8.118 0.602 1.00 0.00 O ATOM 703 CB HIS T 45 -5.280 -10.023 2.831 1.00 0.00 C ATOM 704 CG HIS T 45 -4.341 -10.869 2.025 1.00 0.00 C ATOM 705 ND1 HIS T 45 -4.049 -12.179 2.342 1.00 0.00 N ATOM 706 CD2 HIS T 45 -3.629 -10.590 0.906 1.00 0.00 C ATOM 707 CE1 HIS T 45 -3.198 -12.666 1.456 1.00 0.00 C ATOM 708 NE2 HIS T 45 -2.929 -11.722 0.575 1.00 0.00 N ATOM 0 H HIS T 45 -6.993 -8.007 3.247 1.00 0.00 H new ATOM 0 HA HIS T 45 -4.049 -8.282 3.100 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.195 -10.304 3.881 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.303 -10.242 2.524 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -3.615 -9.650 0.374 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -2.792 -13.667 1.454 1.00 0.00 H new ATOM 0 HE2 HIS T 45 -2.302 -11.818 -0.224 1.00 0.00 H new ATOM 717 N VAL T 46 -3.912 -7.765 0.687 1.00 0.00 N ATOM 718 CA VAL T 46 -3.814 -7.367 -0.711 1.00 0.00 C ATOM 719 C VAL T 46 -2.473 -7.793 -1.309 1.00 0.00 C ATOM 720 O VAL T 46 -1.418 -7.279 -0.935 1.00 0.00 O ATOM 721 CB VAL T 46 -4.017 -5.841 -0.891 1.00 0.00 C ATOM 722 CG1 VAL T 46 -4.518 -5.204 0.398 1.00 0.00 C ATOM 723 CG2 VAL T 46 -2.741 -5.159 -1.356 1.00 0.00 C ATOM 0 H VAL T 46 -3.026 -7.753 1.193 1.00 0.00 H new ATOM 0 HA VAL T 46 -4.615 -7.878 -1.245 1.00 0.00 H new ATOM 0 HB VAL T 46 -4.773 -5.703 -1.664 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -4.653 -4.133 0.246 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -5.470 -5.653 0.680 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -3.790 -5.369 1.192 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -2.921 -4.090 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -1.954 -5.317 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -2.431 -5.580 -2.312 1.00 0.00 H new ATOM 733 N CYS T 47 -2.524 -8.749 -2.231 1.00 0.00 N ATOM 734 CA CYS T 47 -1.320 -9.257 -2.879 1.00 0.00 C ATOM 735 C CYS T 47 -0.807 -8.272 -3.924 1.00 0.00 C ATOM 736 O CYS T 47 -1.003 -8.469 -5.124 1.00 0.00 O ATOM 737 CB CYS T 47 -1.601 -10.611 -3.533 1.00 0.00 C ATOM 738 SG CYS T 47 -0.425 -11.923 -3.066 1.00 0.00 S ATOM 0 H CYS T 47 -3.389 -9.188 -2.547 1.00 0.00 H new ATOM 0 HA CYS T 47 -0.552 -9.382 -2.116 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -2.609 -10.929 -3.265 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -1.582 -10.490 -4.616 1.00 0.00 H new ATOM 743 N ALA T 48 -0.151 -7.213 -3.463 1.00 0.00 N ATOM 744 CA ALA T 48 0.389 -6.196 -4.357 1.00 0.00 C ATOM 745 C ALA T 48 1.045 -5.067 -3.571 1.00 0.00 C ATOM 746 O ALA T 48 0.432 -4.482 -2.679 1.00 0.00 O ATOM 747 CB ALA T 48 -0.708 -5.647 -5.256 1.00 0.00 C ATOM 0 H ALA T 48 0.020 -7.036 -2.473 1.00 0.00 H new ATOM 0 HA ALA T 48 1.153 -6.663 -4.978 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.290 -4.889 -5.918 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -1.129 -6.457 -5.852 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.492 -5.202 -4.643 1.00 0.00 H new ATOM 753 N ALA T 49 2.295 -4.766 -3.910 1.00 0.00 N ATOM 754 CA ALA T 49 3.035 -3.705 -3.237 1.00 0.00 C ATOM 755 C ALA T 49 2.169 -2.465 -3.053 1.00 0.00 C ATOM 756 O ALA T 49 1.671 -1.895 -4.022 1.00 0.00 O ATOM 757 CB ALA T 49 4.291 -3.361 -4.022 1.00 0.00 C ATOM 0 H ALA T 49 2.816 -5.242 -4.646 1.00 0.00 H new ATOM 0 HA ALA T 49 3.323 -4.065 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA T 49 4.835 -2.568 -3.509 1.00 0.00 H new ATOM 0 HB2 ALA T 49 4.925 -4.244 -4.099 1.00 0.00 H new ATOM 0 HB3 ALA T 49 4.015 -3.024 -5.021 1.00 0.00 H new ATOM 763 N GLY T 50 1.992 -2.050 -1.803 1.00 0.00 N ATOM 764 CA GLY T 50 1.183 -0.879 -1.523 1.00 0.00 C ATOM 765 C GLY T 50 1.976 0.239 -0.878 1.00 0.00 C ATOM 766 O GLY T 50 2.557 0.060 0.192 1.00 0.00 O ATOM 0 H GLY T 50 2.393 -2.502 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.742 -0.517 -2.452 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.359 -1.160 -0.867 1.00 0.00 H new ATOM 770 N TRP T 51 2.005 1.393 -1.534 1.00 0.00 N ATOM 771 CA TRP T 51 2.737 2.545 -1.023 1.00 0.00 C ATOM 772 C TRP T 51 2.317 2.884 0.403 1.00 0.00 C ATOM 773 O TRP T 51 1.296 2.403 0.895 1.00 0.00 O ATOM 774 CB TRP T 51 2.519 3.755 -1.931 1.00 0.00 C ATOM 775 CG TRP T 51 3.384 3.733 -3.150 1.00 0.00 C ATOM 776 CD1 TRP T 51 2.991 3.469 -4.429 1.00 0.00 C ATOM 777 CD2 TRP T 51 4.792 3.978 -3.202 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.073 3.534 -5.276 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.190 3.846 -4.545 1.00 0.00 C ATOM 780 CE3 TRP T 51 5.756 4.297 -2.240 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.511 4.023 -4.950 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.066 4.472 -2.643 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.433 4.335 -3.987 1.00 0.00 C ATOM 0 H TRP T 51 1.530 1.556 -2.422 1.00 0.00 H new ATOM 0 HA TRP T 51 3.796 2.288 -1.012 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.473 3.791 -2.235 1.00 0.00 H new ATOM 0 HB3 TRP T 51 2.718 4.666 -1.367 1.00 0.00 H new ATOM 0 HD1 TRP T 51 1.980 3.242 -4.732 1.00 0.00 H new ATOM 0 HE1 TRP T 51 4.048 3.376 -6.283 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.481 4.405 -1.201 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 6.798 3.918 -5.986 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 7.819 4.718 -1.909 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.465 4.478 -4.270 1.00 0.00 H new ATOM 794 N MET T 52 3.115 3.721 1.058 1.00 0.00 N ATOM 795 CA MET T 52 2.838 4.140 2.426 1.00 0.00 C ATOM 796 C MET T 52 3.632 5.397 2.772 1.00 0.00 C ATOM 797 O MET T 52 4.491 5.829 2.003 1.00 0.00 O ATOM 798 CB MET T 52 3.172 3.017 3.414 1.00 0.00 C ATOM 799 CG MET T 52 4.092 1.950 2.846 1.00 0.00 C ATOM 800 SD MET T 52 3.540 0.276 3.228 1.00 0.00 S ATOM 801 CE MET T 52 5.074 -0.471 3.772 1.00 0.00 C ATOM 0 H MET T 52 3.963 4.124 0.660 1.00 0.00 H new ATOM 0 HA MET T 52 1.774 4.366 2.503 1.00 0.00 H new ATOM 0 HB2 MET T 52 3.638 3.451 4.298 1.00 0.00 H new ATOM 0 HB3 MET T 52 2.245 2.547 3.741 1.00 0.00 H new ATOM 0 HG2 MET T 52 4.155 2.069 1.764 1.00 0.00 H new ATOM 0 HG3 MET T 52 5.097 2.095 3.242 1.00 0.00 H new ATOM 0 HE1 MET T 52 4.870 -1.455 4.193 1.00 0.00 H new ATOM 0 HE2 MET T 52 5.750 -0.572 2.923 1.00 0.00 H new ATOM 0 HE3 MET T 52 5.537 0.160 4.531 1.00 0.00 H new ATOM 811 N ALA T 53 3.336 5.983 3.927 1.00 0.00 N ATOM 812 CA ALA T 53 4.021 7.194 4.368 1.00 0.00 C ATOM 813 C ALA T 53 5.537 7.030 4.305 1.00 0.00 C ATOM 814 O ALA T 53 6.047 5.917 4.169 1.00 0.00 O ATOM 815 CB ALA T 53 3.588 7.561 5.779 1.00 0.00 C ATOM 0 H ALA T 53 2.627 5.640 4.575 1.00 0.00 H new ATOM 0 HA ALA T 53 3.743 8.001 3.690 1.00 0.00 H new ATOM 0 HB1 ALA T 53 4.107 8.466 6.095 1.00 0.00 H new ATOM 0 HB2 ALA T 53 2.512 7.735 5.796 1.00 0.00 H new ATOM 0 HB3 ALA T 53 3.834 6.745 6.459 1.00 0.00 H new ATOM 821 N LYS T 54 6.249 8.151 4.406 1.00 0.00 N ATOM 822 CA LYS T 54 7.710 8.147 4.364 1.00 0.00 C ATOM 823 C LYS T 54 8.224 7.977 2.937 1.00 0.00 C ATOM 824 O LYS T 54 9.311 8.450 2.602 1.00 0.00 O ATOM 825 CB LYS T 54 8.268 7.036 5.257 1.00 0.00 C ATOM 826 CG LYS T 54 9.281 7.523 6.281 1.00 0.00 C ATOM 827 CD LYS T 54 8.662 7.665 7.662 1.00 0.00 C ATOM 828 CE LYS T 54 8.237 9.098 7.936 1.00 0.00 C ATOM 829 NZ LYS T 54 9.406 10.004 8.113 1.00 0.00 N ATOM 0 H LYS T 54 5.836 9.077 4.518 1.00 0.00 H new ATOM 0 HA LYS T 54 8.055 9.111 4.737 1.00 0.00 H new ATOM 0 HB2 LYS T 54 7.442 6.552 5.778 1.00 0.00 H new ATOM 0 HB3 LYS T 54 8.736 6.278 4.629 1.00 0.00 H new ATOM 0 HG2 LYS T 54 10.116 6.824 6.327 1.00 0.00 H new ATOM 0 HG3 LYS T 54 9.686 8.484 5.963 1.00 0.00 H new ATOM 0 HD2 LYS T 54 7.798 7.006 7.744 1.00 0.00 H new ATOM 0 HD3 LYS T 54 9.379 7.346 8.418 1.00 0.00 H new ATOM 0 HE2 LYS T 54 7.622 9.457 7.111 1.00 0.00 H new ATOM 0 HE3 LYS T 54 7.617 9.127 8.832 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 9.107 10.862 8.618 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 10.142 9.517 8.663 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 9.786 10.266 7.181 1.00 0.00 H new ATOM 843 N GLY T 55 7.444 7.300 2.101 1.00 0.00 N ATOM 844 CA GLY T 55 7.846 7.082 0.724 1.00 0.00 C ATOM 845 C GLY T 55 8.268 5.649 0.486 1.00 0.00 C ATOM 846 O GLY T 55 8.950 5.347 -0.494 1.00 0.00 O ATOM 0 H GLY T 55 6.541 6.898 2.352 1.00 0.00 H new ATOM 0 HA2 GLY T 55 7.020 7.333 0.059 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.670 7.750 0.475 1.00 0.00 H new ATOM 850 N ARG T 56 7.859 4.762 1.385 1.00 0.00 N ATOM 851 CA ARG T 56 8.191 3.349 1.274 1.00 0.00 C ATOM 852 C ARG T 56 6.976 2.548 0.821 1.00 0.00 C ATOM 853 O ARG T 56 5.839 2.996 0.964 1.00 0.00 O ATOM 854 CB ARG T 56 8.698 2.815 2.615 1.00 0.00 C ATOM 855 CG ARG T 56 7.606 2.663 3.662 1.00 0.00 C ATOM 856 CD ARG T 56 8.151 2.072 4.950 1.00 0.00 C ATOM 857 NE ARG T 56 8.423 3.097 5.953 1.00 0.00 N ATOM 858 CZ ARG T 56 7.535 3.493 6.860 1.00 0.00 C ATOM 859 NH1 ARG T 56 6.325 2.950 6.888 1.00 0.00 N ATOM 860 NH2 ARG T 56 7.856 4.433 7.739 1.00 0.00 N ATOM 0 H ARG T 56 7.295 4.999 2.201 1.00 0.00 H new ATOM 0 HA ARG T 56 8.979 3.240 0.529 1.00 0.00 H new ATOM 0 HB2 ARG T 56 9.173 1.847 2.455 1.00 0.00 H new ATOM 0 HB3 ARG T 56 9.466 3.488 2.998 1.00 0.00 H new ATOM 0 HG2 ARG T 56 7.159 3.636 3.867 1.00 0.00 H new ATOM 0 HG3 ARG T 56 6.814 2.023 3.273 1.00 0.00 H new ATOM 0 HD2 ARG T 56 7.435 1.355 5.351 1.00 0.00 H new ATOM 0 HD3 ARG T 56 9.068 1.522 4.737 1.00 0.00 H new ATOM 0 HE ARG T 56 9.345 3.533 5.958 1.00 0.00 H new ATOM 0 HH11 ARG T 56 6.075 2.227 6.213 1.00 0.00 H new ATOM 0 HH12 ARG T 56 5.645 3.255 7.585 1.00 0.00 H new ATOM 0 HH21 ARG T 56 8.785 4.853 7.720 1.00 0.00 H new ATOM 0 HH22 ARG T 56 7.174 4.736 8.434 1.00 0.00 H new ATOM 874 N VAL T 57 7.223 1.367 0.268 1.00 0.00 N ATOM 875 CA VAL T 57 6.147 0.510 -0.209 1.00 0.00 C ATOM 876 C VAL T 57 6.491 -0.962 -0.019 1.00 0.00 C ATOM 877 O VAL T 57 7.501 -1.447 -0.532 1.00 0.00 O ATOM 878 CB VAL T 57 5.846 0.780 -1.694 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.123 1.118 -2.446 1.00 0.00 C ATOM 880 CG2 VAL T 57 5.140 -0.410 -2.329 1.00 0.00 C ATOM 0 H VAL T 57 8.159 0.982 0.139 1.00 0.00 H new ATOM 0 HA VAL T 57 5.261 0.743 0.381 1.00 0.00 H new ATOM 0 HB VAL T 57 5.178 1.639 -1.756 1.00 0.00 H new ATOM 0 HG11 VAL T 57 6.889 1.306 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.577 2.008 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL T 57 7.820 0.283 -2.373 1.00 0.00 H new ATOM 0 HG21 VAL T 57 4.938 -0.196 -3.378 1.00 0.00 H new ATOM 0 HG22 VAL T 57 5.776 -1.292 -2.255 1.00 0.00 H new ATOM 0 HG23 VAL T 57 4.200 -0.595 -1.809 1.00 0.00 H new ATOM 890 N GLY T 58 5.643 -1.669 0.720 1.00 0.00 N ATOM 891 CA GLY T 58 5.868 -3.082 0.967 1.00 0.00 C ATOM 892 C GLY T 58 4.756 -3.943 0.406 1.00 0.00 C ATOM 893 O GLY T 58 3.917 -3.464 -0.356 1.00 0.00 O ATOM 0 H GLY T 58 4.802 -1.288 1.153 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.817 -3.381 0.522 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.952 -3.253 2.040 1.00 0.00 H new ATOM 897 N TYR T 59 4.744 -5.218 0.782 1.00 0.00 N ATOM 898 CA TYR T 59 3.719 -6.138 0.306 1.00 0.00 C ATOM 899 C TYR T 59 3.105 -6.920 1.463 1.00 0.00 C ATOM 900 O TYR T 59 3.560 -8.014 1.800 1.00 0.00 O ATOM 901 CB TYR T 59 4.301 -7.103 -0.730 1.00 0.00 C ATOM 902 CG TYR T 59 5.673 -6.699 -1.222 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.838 -5.592 -2.047 1.00 0.00 C ATOM 904 CD2 TYR T 59 6.803 -7.422 -0.863 1.00 0.00 C ATOM 905 CE1 TYR T 59 7.089 -5.220 -2.500 1.00 0.00 C ATOM 906 CE2 TYR T 59 8.058 -7.054 -1.311 1.00 0.00 C ATOM 907 CZ TYR T 59 8.195 -5.953 -2.129 1.00 0.00 C ATOM 908 OH TYR T 59 9.443 -5.585 -2.578 1.00 0.00 O ATOM 0 H TYR T 59 5.429 -5.635 1.412 1.00 0.00 H new ATOM 0 HA TYR T 59 2.933 -5.548 -0.165 1.00 0.00 H new ATOM 0 HB2 TYR T 59 4.358 -8.101 -0.295 1.00 0.00 H new ATOM 0 HB3 TYR T 59 3.622 -7.165 -1.580 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.974 -5.013 -2.338 1.00 0.00 H new ATOM 0 HD2 TYR T 59 6.700 -8.286 -0.223 1.00 0.00 H new ATOM 0 HE1 TYR T 59 7.199 -4.359 -3.142 1.00 0.00 H new ATOM 0 HE2 TYR T 59 8.927 -7.626 -1.021 1.00 0.00 H new ATOM 0 HH TYR T 59 10.112 -5.798 -1.895 1.00 0.00 H new ATOM 918 N PRO T 60 2.057 -6.361 2.086 1.00 0.00 N ATOM 919 CA PRO T 60 1.367 -7.001 3.212 1.00 0.00 C ATOM 920 C PRO T 60 0.505 -8.177 2.766 1.00 0.00 C ATOM 921 O PRO T 60 -0.380 -8.026 1.923 1.00 0.00 O ATOM 922 CB PRO T 60 0.490 -5.881 3.767 1.00 0.00 C ATOM 923 CG PRO T 60 0.249 -4.966 2.620 1.00 0.00 C ATOM 924 CD PRO T 60 1.461 -5.057 1.735 1.00 0.00 C ATOM 0 HA PRO T 60 2.065 -7.417 3.938 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -0.448 -6.274 4.160 1.00 0.00 H new ATOM 0 HB3 PRO T 60 0.987 -5.362 4.587 1.00 0.00 H new ATOM 0 HG2 PRO T 60 -0.650 -5.255 2.076 1.00 0.00 H new ATOM 0 HG3 PRO T 60 0.098 -3.943 2.965 1.00 0.00 H new ATOM 0 HD2 PRO T 60 1.190 -5.012 0.680 1.00 0.00 H new ATOM 0 HD3 PRO T 60 2.155 -4.237 1.921 1.00 0.00 H new ATOM 932 N ILE T 61 0.764 -9.347 3.338 1.00 0.00 N ATOM 933 CA ILE T 61 0.009 -10.546 2.999 1.00 0.00 C ATOM 934 C ILE T 61 -0.356 -11.334 4.253 1.00 0.00 C ATOM 935 O ILE T 61 0.454 -12.103 4.772 1.00 0.00 O ATOM 936 CB ILE T 61 0.801 -11.457 2.042 1.00 0.00 C ATOM 937 CG1 ILE T 61 1.247 -10.671 0.809 1.00 0.00 C ATOM 938 CG2 ILE T 61 -0.043 -12.656 1.631 1.00 0.00 C ATOM 939 CD1 ILE T 61 0.115 -10.337 -0.137 1.00 0.00 C ATOM 0 H ILE T 61 1.491 -9.490 4.039 1.00 0.00 H new ATOM 0 HA ILE T 61 -0.903 -10.218 2.500 1.00 0.00 H new ATOM 0 HB ILE T 61 1.688 -11.820 2.562 1.00 0.00 H new ATOM 0 HG12 ILE T 61 1.725 -9.746 1.131 1.00 0.00 H new ATOM 0 HG13 ILE T 61 2.000 -11.249 0.272 1.00 0.00 H new ATOM 0 HG21 ILE T 61 0.531 -13.290 0.955 1.00 0.00 H new ATOM 0 HG22 ILE T 61 -0.319 -13.227 2.517 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -0.945 -12.310 1.126 1.00 0.00 H new ATOM 0 HD11 ILE T 61 0.505 -9.779 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE T 61 -0.349 -11.258 -0.489 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -0.628 -9.732 0.383 1.00 0.00 H new ATOM 951 N VAL T 62 -1.578 -11.136 4.735 1.00 0.00 N ATOM 952 CA VAL T 62 -2.050 -11.824 5.930 1.00 0.00 C ATOM 953 C VAL T 62 -2.092 -13.333 5.715 1.00 0.00 C ATOM 954 O VAL T 62 -1.668 -14.105 6.575 1.00 0.00 O ATOM 955 CB VAL T 62 -3.450 -11.327 6.345 1.00 0.00 C ATOM 956 CG1 VAL T 62 -4.541 -12.143 5.666 1.00 0.00 C ATOM 957 CG2 VAL T 62 -3.604 -11.368 7.858 1.00 0.00 C ATOM 0 H VAL T 62 -2.260 -10.504 4.316 1.00 0.00 H new ATOM 0 HA VAL T 62 -1.344 -11.598 6.729 1.00 0.00 H new ATOM 0 HB VAL T 62 -3.555 -10.292 6.018 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -5.518 -11.772 5.975 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -4.444 -12.051 4.584 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -4.443 -13.190 5.952 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -4.598 -11.014 8.132 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -3.474 -12.392 8.209 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -2.851 -10.728 8.318 1.00 0.00 H new ATOM 967 N LYS T 63 -2.610 -13.746 4.564 1.00 0.00 N ATOM 968 CA LYS T 63 -2.710 -15.163 4.236 1.00 0.00 C ATOM 969 C LYS T 63 -1.832 -15.510 3.037 1.00 0.00 C ATOM 970 O LYS T 63 -2.265 -15.407 1.889 1.00 0.00 O ATOM 971 CB LYS T 63 -4.164 -15.535 3.941 1.00 0.00 C ATOM 972 CG LYS T 63 -4.914 -16.082 5.145 1.00 0.00 C ATOM 973 CD LYS T 63 -5.231 -17.559 4.973 1.00 0.00 C ATOM 974 CE LYS T 63 -4.126 -18.443 5.529 1.00 0.00 C ATOM 975 NZ LYS T 63 -4.569 -19.853 5.704 1.00 0.00 N ATOM 0 H LYS T 63 -2.967 -13.120 3.842 1.00 0.00 H new ATOM 0 HA LYS T 63 -2.360 -15.735 5.096 1.00 0.00 H new ATOM 0 HB2 LYS T 63 -4.686 -14.654 3.569 1.00 0.00 H new ATOM 0 HB3 LYS T 63 -4.185 -16.278 3.144 1.00 0.00 H new ATOM 0 HG2 LYS T 63 -4.316 -15.938 6.045 1.00 0.00 H new ATOM 0 HG3 LYS T 63 -5.839 -15.523 5.285 1.00 0.00 H new ATOM 0 HD2 LYS T 63 -6.169 -17.790 5.477 1.00 0.00 H new ATOM 0 HD3 LYS T 63 -5.375 -17.779 3.915 1.00 0.00 H new ATOM 0 HE2 LYS T 63 -3.268 -18.414 4.858 1.00 0.00 H new ATOM 0 HE3 LYS T 63 -3.794 -18.046 6.488 1.00 0.00 H new ATOM 0 HZ1 LYS T 63 -3.784 -20.419 6.085 1.00 0.00 H new ATOM 0 HZ2 LYS T 63 -5.372 -19.885 6.365 1.00 0.00 H new ATOM 0 HZ3 LYS T 63 -4.862 -20.242 4.785 1.00 0.00 H new ATOM 989 N PRO T 64 -0.582 -15.929 3.290 1.00 0.00 N ATOM 990 CA PRO T 64 0.359 -16.294 2.228 1.00 0.00 C ATOM 991 C PRO T 64 -0.280 -17.178 1.163 1.00 0.00 C ATOM 992 O PRO T 64 -0.790 -18.258 1.462 1.00 0.00 O ATOM 993 CB PRO T 64 1.446 -17.058 2.976 1.00 0.00 C ATOM 994 CG PRO T 64 1.429 -16.499 4.357 1.00 0.00 C ATOM 995 CD PRO T 64 0.008 -16.082 4.636 1.00 0.00 C ATOM 0 HA PRO T 64 0.724 -15.422 1.686 1.00 0.00 H new ATOM 0 HB2 PRO T 64 1.243 -18.129 2.981 1.00 0.00 H new ATOM 0 HB3 PRO T 64 2.420 -16.920 2.506 1.00 0.00 H new ATOM 0 HG2 PRO T 64 1.763 -17.243 5.080 1.00 0.00 H new ATOM 0 HG3 PRO T 64 2.105 -15.648 4.439 1.00 0.00 H new ATOM 0 HD2 PRO T 64 -0.522 -16.832 5.223 1.00 0.00 H new ATOM 0 HD3 PRO T 64 -0.033 -15.150 5.200 1.00 0.00 H new ATOM 1003 N GLY T 65 -0.248 -16.714 -0.082 1.00 0.00 N ATOM 1004 CA GLY T 65 -0.827 -17.474 -1.174 1.00 0.00 C ATOM 1005 C GLY T 65 0.214 -18.259 -1.948 1.00 0.00 C ATOM 1006 O GLY T 65 1.413 -18.022 -1.799 1.00 0.00 O ATOM 0 H GLY T 65 0.169 -15.824 -0.354 1.00 0.00 H new ATOM 0 HA2 GLY T 65 -1.576 -18.160 -0.778 1.00 0.00 H new ATOM 0 HA3 GLY T 65 -1.344 -16.795 -1.852 1.00 0.00 H new ATOM 1010 N PRO T 66 -0.221 -19.210 -2.790 1.00 0.00 N ATOM 1011 CA PRO T 66 0.689 -20.035 -3.590 1.00 0.00 C ATOM 1012 C PRO T 66 1.343 -19.249 -4.721 1.00 0.00 C ATOM 1013 O PRO T 66 2.500 -18.840 -4.617 1.00 0.00 O ATOM 1014 CB PRO T 66 -0.228 -21.121 -4.155 1.00 0.00 C ATOM 1015 CG PRO T 66 -1.578 -20.494 -4.196 1.00 0.00 C ATOM 1016 CD PRO T 66 -1.636 -19.555 -3.021 1.00 0.00 C ATOM 0 HA PRO T 66 1.518 -20.421 -2.997 1.00 0.00 H new ATOM 0 HB2 PRO T 66 0.094 -21.433 -5.149 1.00 0.00 H new ATOM 0 HB3 PRO T 66 -0.224 -22.010 -3.525 1.00 0.00 H new ATOM 0 HG2 PRO T 66 -1.730 -19.957 -5.132 1.00 0.00 H new ATOM 0 HG3 PRO T 66 -2.361 -21.249 -4.131 1.00 0.00 H new ATOM 0 HD2 PRO T 66 -2.234 -18.671 -3.242 1.00 0.00 H new ATOM 0 HD3 PRO T 66 -2.081 -20.031 -2.148 1.00 0.00 H new ATOM 1024 N ASN T 67 0.597 -19.043 -5.802 1.00 0.00 N ATOM 1025 CA ASN T 67 1.105 -18.307 -6.953 1.00 0.00 C ATOM 1026 C ASN T 67 1.117 -16.807 -6.681 1.00 0.00 C ATOM 1027 O ASN T 67 1.521 -16.015 -7.532 1.00 0.00 O ATOM 1028 CB ASN T 67 0.258 -18.604 -8.192 1.00 0.00 C ATOM 1029 CG ASN T 67 -0.766 -19.695 -7.947 1.00 0.00 C ATOM 1030 OD1 ASN T 67 -0.419 -20.864 -7.789 1.00 0.00 O ATOM 1031 ND2 ASN T 67 -2.038 -19.316 -7.915 1.00 0.00 N ATOM 0 H ASN T 67 -0.362 -19.376 -5.904 1.00 0.00 H new ATOM 0 HA ASN T 67 2.129 -18.633 -7.134 1.00 0.00 H new ATOM 0 HB2 ASN T 67 -0.253 -17.694 -8.505 1.00 0.00 H new ATOM 0 HB3 ASN T 67 0.911 -18.901 -9.012 1.00 0.00 H new ATOM 0 HD21 ASN T 67 -2.772 -20.006 -7.754 1.00 0.00 H new ATOM 0 HD22 ASN T 67 -2.281 -18.335 -8.051 1.00 0.00 H new ATOM 1038 N CYS T 68 0.673 -16.422 -5.488 1.00 0.00 N ATOM 1039 CA CYS T 68 0.636 -15.016 -5.105 1.00 0.00 C ATOM 1040 C CYS T 68 2.038 -14.413 -5.111 1.00 0.00 C ATOM 1041 O CYS T 68 2.206 -13.205 -4.946 1.00 0.00 O ATOM 1042 CB CYS T 68 0.004 -14.856 -3.721 1.00 0.00 C ATOM 1043 SG CYS T 68 -1.346 -13.633 -3.655 1.00 0.00 S ATOM 0 H CYS T 68 0.334 -17.064 -4.771 1.00 0.00 H new ATOM 0 HA CYS T 68 0.028 -14.483 -5.836 1.00 0.00 H new ATOM 0 HB2 CYS T 68 -0.380 -15.823 -3.395 1.00 0.00 H new ATOM 0 HB3 CYS T 68 0.778 -14.565 -3.011 1.00 0.00 H new ATOM 1048 N GLY T 69 3.041 -15.264 -5.302 1.00 0.00 N ATOM 1049 CA GLY T 69 4.416 -14.799 -5.325 1.00 0.00 C ATOM 1050 C GLY T 69 5.016 -14.737 -3.935 1.00 0.00 C ATOM 1051 O GLY T 69 5.502 -13.689 -3.509 1.00 0.00 O ATOM 0 H GLY T 69 2.926 -16.268 -5.441 1.00 0.00 H new ATOM 0 HA2 GLY T 69 5.013 -15.464 -5.949 1.00 0.00 H new ATOM 0 HA3 GLY T 69 4.457 -13.810 -5.782 1.00 0.00 H new ATOM 1055 N PHE T 70 4.981 -15.862 -3.228 1.00 0.00 N ATOM 1056 CA PHE T 70 5.524 -15.936 -1.877 1.00 0.00 C ATOM 1057 C PHE T 70 5.204 -14.667 -1.093 1.00 0.00 C ATOM 1058 O PHE T 70 6.062 -13.805 -0.909 1.00 0.00 O ATOM 1059 CB PHE T 70 7.037 -16.155 -1.927 1.00 0.00 C ATOM 1060 CG PHE T 70 7.645 -16.522 -0.603 1.00 0.00 C ATOM 1061 CD1 PHE T 70 7.058 -17.484 0.201 1.00 0.00 C ATOM 1062 CD2 PHE T 70 8.805 -15.905 -0.165 1.00 0.00 C ATOM 1063 CE1 PHE T 70 7.615 -17.826 1.418 1.00 0.00 C ATOM 1064 CE2 PHE T 70 9.368 -16.242 1.052 1.00 0.00 C ATOM 1065 CZ PHE T 70 8.772 -17.203 1.844 1.00 0.00 C ATOM 0 H PHE T 70 4.581 -16.736 -3.569 1.00 0.00 H new ATOM 0 HA PHE T 70 5.059 -16.781 -1.368 1.00 0.00 H new ATOM 0 HB2 PHE T 70 7.256 -16.944 -2.647 1.00 0.00 H new ATOM 0 HB3 PHE T 70 7.513 -15.246 -2.295 1.00 0.00 H new ATOM 0 HD1 PHE T 70 6.153 -17.973 -0.127 1.00 0.00 H new ATOM 0 HD2 PHE T 70 9.275 -15.152 -0.781 1.00 0.00 H new ATOM 0 HE1 PHE T 70 7.147 -18.579 2.035 1.00 0.00 H new ATOM 0 HE2 PHE T 70 10.273 -15.754 1.383 1.00 0.00 H new ATOM 0 HZ PHE T 70 9.210 -17.467 2.795 1.00 0.00 H new ATOM 1075 N GLY T 71 3.960 -14.561 -0.636 1.00 0.00 N ATOM 1076 CA GLY T 71 3.543 -13.395 0.118 1.00 0.00 C ATOM 1077 C GLY T 71 4.167 -13.367 1.499 1.00 0.00 C ATOM 1078 O GLY T 71 3.838 -12.510 2.318 1.00 0.00 O ATOM 0 H GLY T 71 3.233 -15.263 -0.775 1.00 0.00 H new ATOM 0 HA2 GLY T 71 3.821 -12.492 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY T 71 2.457 -13.390 0.209 1.00 0.00 H new ATOM 1082 N LYS T 72 5.079 -14.303 1.753 1.00 0.00 N ATOM 1083 CA LYS T 72 5.759 -14.382 3.038 1.00 0.00 C ATOM 1084 C LYS T 72 4.795 -14.140 4.193 1.00 0.00 C ATOM 1085 O LYS T 72 3.577 -14.197 4.027 1.00 0.00 O ATOM 1086 CB LYS T 72 6.896 -13.367 3.079 1.00 0.00 C ATOM 1087 CG LYS T 72 8.252 -13.992 3.364 1.00 0.00 C ATOM 1088 CD LYS T 72 9.376 -13.207 2.707 1.00 0.00 C ATOM 1089 CE LYS T 72 9.982 -12.192 3.663 1.00 0.00 C ATOM 1090 NZ LYS T 72 11.196 -12.728 4.339 1.00 0.00 N ATOM 0 H LYS T 72 5.363 -15.017 1.083 1.00 0.00 H new ATOM 0 HA LYS T 72 6.164 -15.388 3.150 1.00 0.00 H new ATOM 0 HB2 LYS T 72 6.939 -12.842 2.125 1.00 0.00 H new ATOM 0 HB3 LYS T 72 6.680 -12.621 3.844 1.00 0.00 H new ATOM 0 HG2 LYS T 72 8.416 -14.033 4.441 1.00 0.00 H new ATOM 0 HG3 LYS T 72 8.264 -15.020 3.001 1.00 0.00 H new ATOM 0 HD2 LYS T 72 10.150 -13.895 2.367 1.00 0.00 H new ATOM 0 HD3 LYS T 72 8.995 -12.694 1.824 1.00 0.00 H new ATOM 0 HE2 LYS T 72 10.241 -11.286 3.115 1.00 0.00 H new ATOM 0 HE3 LYS T 72 9.242 -11.911 4.413 1.00 0.00 H new ATOM 0 HZ1 LYS T 72 11.581 -12.008 4.983 1.00 0.00 H new ATOM 0 HZ2 LYS T 72 10.944 -13.579 4.882 1.00 0.00 H new ATOM 0 HZ3 LYS T 72 11.912 -12.972 3.625 1.00 0.00 H new ATOM 1104 N THR T 73 5.354 -13.873 5.365 1.00 0.00 N ATOM 1105 CA THR T 73 4.552 -13.621 6.556 1.00 0.00 C ATOM 1106 C THR T 73 4.627 -12.154 6.962 1.00 0.00 C ATOM 1107 O THR T 73 5.714 -11.592 7.100 1.00 0.00 O ATOM 1108 CB THR T 73 5.009 -14.495 7.737 1.00 0.00 C ATOM 1109 OG1 THR T 73 6.366 -14.910 7.546 1.00 0.00 O ATOM 1110 CG2 THR T 73 4.115 -15.719 7.880 1.00 0.00 C ATOM 0 H THR T 73 6.361 -13.825 5.518 1.00 0.00 H new ATOM 0 HA THR T 73 3.522 -13.876 6.307 1.00 0.00 H new ATOM 0 HB THR T 73 4.937 -13.901 8.648 1.00 0.00 H new ATOM 0 HG1 THR T 73 6.648 -15.464 8.303 1.00 0.00 H new ATOM 0 HG21 THR T 73 4.456 -16.323 8.721 1.00 0.00 H new ATOM 0 HG22 THR T 73 3.087 -15.401 8.055 1.00 0.00 H new ATOM 0 HG23 THR T 73 4.160 -16.311 6.966 1.00 0.00 H new ATOM 1118 N GLY T 74 3.466 -11.535 7.146 1.00 0.00 N ATOM 1119 CA GLY T 74 3.425 -10.136 7.526 1.00 0.00 C ATOM 1120 C GLY T 74 3.732 -9.227 6.355 1.00 0.00 C ATOM 1121 O GLY T 74 3.789 -9.679 5.211 1.00 0.00 O ATOM 0 H GLY T 74 2.553 -11.977 7.039 1.00 0.00 H new ATOM 0 HA2 GLY T 74 2.439 -9.896 7.924 1.00 0.00 H new ATOM 0 HA3 GLY T 74 4.144 -9.955 8.325 1.00 0.00 H new ATOM 1125 N ILE T 75 3.933 -7.944 6.633 1.00 0.00 N ATOM 1126 CA ILE T 75 4.237 -6.978 5.585 1.00 0.00 C ATOM 1127 C ILE T 75 5.708 -7.036 5.195 1.00 0.00 C ATOM 1128 O ILE T 75 6.592 -6.848 6.032 1.00 0.00 O ATOM 1129 CB ILE T 75 3.891 -5.542 6.014 1.00 0.00 C ATOM 1130 CG1 ILE T 75 2.403 -5.434 6.349 1.00 0.00 C ATOM 1131 CG2 ILE T 75 4.267 -4.558 4.914 1.00 0.00 C ATOM 1132 CD1 ILE T 75 1.933 -4.018 6.597 1.00 0.00 C ATOM 0 H ILE T 75 3.891 -7.550 7.573 1.00 0.00 H new ATOM 0 HA ILE T 75 3.621 -7.247 4.727 1.00 0.00 H new ATOM 0 HB ILE T 75 4.464 -5.294 6.908 1.00 0.00 H new ATOM 0 HG12 ILE T 75 1.824 -5.861 5.530 1.00 0.00 H new ATOM 0 HG13 ILE T 75 2.195 -6.036 7.234 1.00 0.00 H new ATOM 0 HG21 ILE T 75 4.017 -3.545 5.231 1.00 0.00 H new ATOM 0 HG22 ILE T 75 5.337 -4.623 4.718 1.00 0.00 H new ATOM 0 HG23 ILE T 75 3.716 -4.800 4.005 1.00 0.00 H new ATOM 0 HD11 ILE T 75 0.868 -4.023 6.828 1.00 0.00 H new ATOM 0 HD12 ILE T 75 2.484 -3.593 7.436 1.00 0.00 H new ATOM 0 HD13 ILE T 75 2.108 -3.415 5.706 1.00 0.00 H new ATOM 1144 N ILE T 76 5.961 -7.293 3.919 1.00 0.00 N ATOM 1145 CA ILE T 76 7.324 -7.371 3.412 1.00 0.00 C ATOM 1146 C ILE T 76 7.752 -6.043 2.798 1.00 0.00 C ATOM 1147 O ILE T 76 7.717 -5.870 1.580 1.00 0.00 O ATOM 1148 CB ILE T 76 7.475 -8.485 2.357 1.00 0.00 C ATOM 1149 CG1 ILE T 76 6.795 -9.774 2.832 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.945 -8.736 2.060 1.00 0.00 C ATOM 1151 CD1 ILE T 76 7.016 -10.075 4.298 1.00 0.00 C ATOM 0 H ILE T 76 5.240 -7.451 3.216 1.00 0.00 H new ATOM 0 HA ILE T 76 7.965 -7.604 4.262 1.00 0.00 H new ATOM 0 HB ILE T 76 6.986 -8.159 1.439 1.00 0.00 H new ATOM 0 HG12 ILE T 76 5.724 -9.700 2.643 1.00 0.00 H new ATOM 0 HG13 ILE T 76 7.166 -10.610 2.239 1.00 0.00 H new ATOM 0 HG21 ILE T 76 9.036 -9.525 1.313 1.00 0.00 H new ATOM 0 HG22 ILE T 76 9.400 -7.822 1.679 1.00 0.00 H new ATOM 0 HG23 ILE T 76 9.454 -9.041 2.974 1.00 0.00 H new ATOM 0 HD11 ILE T 76 6.505 -11.001 4.560 1.00 0.00 H new ATOM 0 HD12 ILE T 76 8.083 -10.182 4.491 1.00 0.00 H new ATOM 0 HD13 ILE T 76 6.619 -9.258 4.901 1.00 0.00 H new ATOM 1163 N ASP T 77 8.153 -5.106 3.651 1.00 0.00 N ATOM 1164 CA ASP T 77 8.585 -3.791 3.195 1.00 0.00 C ATOM 1165 C ASP T 77 10.085 -3.609 3.401 1.00 0.00 C ATOM 1166 O ASP T 77 10.611 -3.879 4.481 1.00 0.00 O ATOM 1167 CB ASP T 77 7.818 -2.693 3.937 1.00 0.00 C ATOM 1168 CG ASP T 77 8.497 -1.342 3.837 1.00 0.00 C ATOM 1169 OD1 ASP T 77 8.366 -0.687 2.782 1.00 0.00 O ATOM 1170 OD2 ASP T 77 9.159 -0.937 4.817 1.00 0.00 O ATOM 0 H ASP T 77 8.188 -5.234 4.662 1.00 0.00 H new ATOM 0 HA ASP T 77 8.372 -3.716 2.129 1.00 0.00 H new ATOM 0 HB2 ASP T 77 6.810 -2.620 3.530 1.00 0.00 H new ATOM 0 HB3 ASP T 77 7.719 -2.969 4.987 1.00 0.00 H new ATOM 1175 N TYR T 78 10.768 -3.152 2.358 1.00 0.00 N ATOM 1176 CA TYR T 78 12.209 -2.935 2.422 1.00 0.00 C ATOM 1177 C TYR T 78 12.530 -1.460 2.637 1.00 0.00 C ATOM 1178 O TYR T 78 13.607 -0.989 2.275 1.00 0.00 O ATOM 1179 CB TYR T 78 12.878 -3.433 1.139 1.00 0.00 C ATOM 1180 CG TYR T 78 12.615 -4.893 0.844 1.00 0.00 C ATOM 1181 CD1 TYR T 78 11.325 -5.356 0.613 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.658 -5.810 0.799 1.00 0.00 C ATOM 1183 CE1 TYR T 78 11.081 -6.689 0.345 1.00 0.00 C ATOM 1184 CE2 TYR T 78 13.423 -7.146 0.530 1.00 0.00 C ATOM 1185 CZ TYR T 78 12.134 -7.580 0.304 1.00 0.00 C ATOM 1186 OH TYR T 78 11.896 -8.908 0.038 1.00 0.00 O ATOM 0 H TYR T 78 10.347 -2.924 1.457 1.00 0.00 H new ATOM 0 HA TYR T 78 12.598 -3.499 3.270 1.00 0.00 H new ATOM 0 HB2 TYR T 78 12.527 -2.833 0.300 1.00 0.00 H new ATOM 0 HB3 TYR T 78 13.954 -3.275 1.216 1.00 0.00 H new ATOM 0 HD1 TYR T 78 10.499 -4.661 0.644 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.669 -5.474 0.977 1.00 0.00 H new ATOM 0 HE1 TYR T 78 10.072 -7.032 0.169 1.00 0.00 H new ATOM 0 HE2 TYR T 78 14.245 -7.846 0.497 1.00 0.00 H new ATOM 0 HH TYR T 78 12.744 -9.400 0.044 1.00 0.00 H new ATOM 1196 N GLY T 79 11.586 -0.735 3.231 1.00 0.00 N ATOM 1197 CA GLY T 79 11.787 0.678 3.487 1.00 0.00 C ATOM 1198 C GLY T 79 11.872 1.463 2.193 1.00 0.00 C ATOM 1199 O GLY T 79 11.799 0.892 1.105 1.00 0.00 O ATOM 0 H GLY T 79 10.686 -1.102 3.539 1.00 0.00 H new ATOM 0 HA2 GLY T 79 10.967 1.061 4.094 1.00 0.00 H new ATOM 0 HA3 GLY T 79 12.702 0.820 4.062 1.00 0.00 H new ATOM 1203 N ILE T 80 12.027 2.778 2.311 1.00 0.00 N ATOM 1204 CA ILE T 80 12.123 3.647 1.144 1.00 0.00 C ATOM 1205 C ILE T 80 13.382 3.351 0.339 1.00 0.00 C ATOM 1206 O ILE T 80 14.490 3.349 0.877 1.00 0.00 O ATOM 1207 CB ILE T 80 12.126 5.133 1.551 1.00 0.00 C ATOM 1208 CG1 ILE T 80 11.007 5.413 2.554 1.00 0.00 C ATOM 1209 CG2 ILE T 80 11.979 6.019 0.322 1.00 0.00 C ATOM 1210 CD1 ILE T 80 11.417 6.331 3.684 1.00 0.00 C ATOM 0 H ILE T 80 12.089 3.266 3.205 1.00 0.00 H new ATOM 0 HA ILE T 80 11.246 3.447 0.528 1.00 0.00 H new ATOM 0 HB ILE T 80 13.079 5.362 2.028 1.00 0.00 H new ATOM 0 HG12 ILE T 80 10.162 5.856 2.027 1.00 0.00 H new ATOM 0 HG13 ILE T 80 10.662 4.468 2.973 1.00 0.00 H new ATOM 0 HG21 ILE T 80 11.983 7.066 0.626 1.00 0.00 H new ATOM 0 HG22 ILE T 80 12.809 5.836 -0.360 1.00 0.00 H new ATOM 0 HG23 ILE T 80 11.039 5.791 -0.181 1.00 0.00 H new ATOM 0 HD11 ILE T 80 10.571 6.483 4.354 1.00 0.00 H new ATOM 0 HD12 ILE T 80 12.242 5.882 4.237 1.00 0.00 H new ATOM 0 HD13 ILE T 80 11.734 7.291 3.276 1.00 0.00 H new ATOM 1222 N ARG T 81 13.207 3.103 -0.955 1.00 0.00 N ATOM 1223 CA ARG T 81 14.330 2.809 -1.837 1.00 0.00 C ATOM 1224 C ARG T 81 14.624 3.993 -2.752 1.00 0.00 C ATOM 1225 O ARG T 81 15.268 3.843 -3.790 1.00 0.00 O ATOM 1226 CB ARG T 81 14.035 1.563 -2.675 1.00 0.00 C ATOM 1227 CG ARG T 81 13.956 0.284 -1.857 1.00 0.00 C ATOM 1228 CD ARG T 81 15.338 -0.264 -1.542 1.00 0.00 C ATOM 1229 NE ARG T 81 15.676 -1.410 -2.381 1.00 0.00 N ATOM 1230 CZ ARG T 81 15.675 -2.666 -1.946 1.00 0.00 C ATOM 1231 NH1 ARG T 81 15.358 -2.935 -0.688 1.00 0.00 N ATOM 1232 NH2 ARG T 81 15.992 -3.655 -2.772 1.00 0.00 N ATOM 0 H ARG T 81 12.297 3.100 -1.416 1.00 0.00 H new ATOM 0 HA ARG T 81 15.208 2.622 -1.219 1.00 0.00 H new ATOM 0 HB2 ARG T 81 13.092 1.705 -3.203 1.00 0.00 H new ATOM 0 HB3 ARG T 81 14.811 1.453 -3.432 1.00 0.00 H new ATOM 0 HG2 ARG T 81 13.420 0.478 -0.928 1.00 0.00 H new ATOM 0 HG3 ARG T 81 13.383 -0.464 -2.405 1.00 0.00 H new ATOM 0 HD2 ARG T 81 16.080 0.521 -1.684 1.00 0.00 H new ATOM 0 HD3 ARG T 81 15.381 -0.557 -0.493 1.00 0.00 H new ATOM 0 HE ARG T 81 15.927 -1.237 -3.355 1.00 0.00 H new ATOM 0 HH11 ARG T 81 15.114 -2.177 -0.050 1.00 0.00 H new ATOM 0 HH12 ARG T 81 15.358 -3.900 -0.357 1.00 0.00 H new ATOM 0 HH21 ARG T 81 16.237 -3.451 -3.741 1.00 0.00 H new ATOM 0 HH22 ARG T 81 15.991 -4.619 -2.438 1.00 0.00 H new ATOM 1246 N LEU T 82 14.146 5.170 -2.358 1.00 0.00 N ATOM 1247 CA LEU T 82 14.355 6.382 -3.142 1.00 0.00 C ATOM 1248 C LEU T 82 13.835 6.204 -4.564 1.00 0.00 C ATOM 1249 O LEU T 82 14.378 6.771 -5.512 1.00 0.00 O ATOM 1250 CB LEU T 82 15.840 6.749 -3.167 1.00 0.00 C ATOM 1251 CG LEU T 82 16.157 8.239 -3.004 1.00 0.00 C ATOM 1252 CD1 LEU T 82 15.358 9.071 -3.996 1.00 0.00 C ATOM 1253 CD2 LEU T 82 15.874 8.691 -1.580 1.00 0.00 C ATOM 0 H LEU T 82 13.611 5.310 -1.501 1.00 0.00 H new ATOM 0 HA LEU T 82 13.798 7.192 -2.671 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.345 6.200 -2.373 1.00 0.00 H new ATOM 0 HB3 LEU T 82 16.265 6.407 -4.111 1.00 0.00 H new ATOM 0 HG LEU T 82 17.217 8.387 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU T 82 15.598 10.126 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU T 82 15.610 8.767 -5.012 1.00 0.00 H new ATOM 0 HD13 LEU T 82 14.293 8.917 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU T 82 16.105 9.752 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU T 82 14.822 8.526 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU T 82 16.492 8.120 -0.887 1.00 0.00 H new ATOM 1265 N ASN T 83 12.779 5.409 -4.706 1.00 0.00 N ATOM 1266 CA ASN T 83 12.183 5.153 -6.012 1.00 0.00 C ATOM 1267 C ASN T 83 10.697 5.492 -6.008 1.00 0.00 C ATOM 1268 O ASN T 83 9.859 4.656 -6.347 1.00 0.00 O ATOM 1269 CB ASN T 83 12.384 3.689 -6.408 1.00 0.00 C ATOM 1270 CG ASN T 83 13.518 3.512 -7.399 1.00 0.00 C ATOM 1271 OD1 ASN T 83 14.538 2.895 -7.088 1.00 0.00 O ATOM 1272 ND2 ASN T 83 13.347 4.054 -8.598 1.00 0.00 N ATOM 0 H ASN T 83 12.318 4.931 -3.932 1.00 0.00 H new ATOM 0 HA ASN T 83 12.680 5.792 -6.742 1.00 0.00 H new ATOM 0 HB2 ASN T 83 12.589 3.098 -5.515 1.00 0.00 H new ATOM 0 HB3 ASN T 83 11.462 3.302 -6.841 1.00 0.00 H new ATOM 0 HD21 ASN T 83 14.077 3.968 -9.305 1.00 0.00 H new ATOM 0 HD22 ASN T 83 12.486 4.557 -8.812 1.00 0.00 H new ATOM 1279 N ARG T 84 10.377 6.723 -5.623 1.00 0.00 N ATOM 1280 CA ARG T 84 8.994 7.174 -5.575 1.00 0.00 C ATOM 1281 C ARG T 84 8.386 7.213 -6.972 1.00 0.00 C ATOM 1282 O ARG T 84 7.211 7.535 -7.139 1.00 0.00 O ATOM 1283 CB ARG T 84 8.919 8.557 -4.931 1.00 0.00 C ATOM 1284 CG ARG T 84 9.280 8.561 -3.456 1.00 0.00 C ATOM 1285 CD ARG T 84 9.147 9.949 -2.849 1.00 0.00 C ATOM 1286 NE ARG T 84 10.400 10.413 -2.261 1.00 0.00 N ATOM 1287 CZ ARG T 84 11.417 10.888 -2.974 1.00 0.00 C ATOM 1288 NH1 ARG T 84 11.328 10.962 -4.295 1.00 0.00 N ATOM 1289 NH2 ARG T 84 12.524 11.292 -2.367 1.00 0.00 N ATOM 0 H ARG T 84 11.059 7.426 -5.339 1.00 0.00 H new ATOM 0 HA ARG T 84 8.422 6.467 -4.974 1.00 0.00 H new ATOM 0 HB2 ARG T 84 9.589 9.233 -5.462 1.00 0.00 H new ATOM 0 HB3 ARG T 84 7.909 8.950 -5.050 1.00 0.00 H new ATOM 0 HG2 ARG T 84 8.633 7.866 -2.921 1.00 0.00 H new ATOM 0 HG3 ARG T 84 10.303 8.205 -3.330 1.00 0.00 H new ATOM 0 HD2 ARG T 84 8.826 10.651 -3.618 1.00 0.00 H new ATOM 0 HD3 ARG T 84 8.371 9.937 -2.084 1.00 0.00 H new ATOM 0 HE ARG T 84 10.501 10.370 -1.247 1.00 0.00 H new ATOM 0 HH11 ARG T 84 10.478 10.654 -4.767 1.00 0.00 H new ATOM 0 HH12 ARG T 84 12.110 11.327 -4.839 1.00 0.00 H new ATOM 0 HH21 ARG T 84 12.597 11.239 -1.351 1.00 0.00 H new ATOM 0 HH22 ARG T 84 13.303 11.656 -2.916 1.00 0.00 H new ATOM 1303 N SER T 85 9.196 6.882 -7.974 1.00 0.00 N ATOM 1304 CA SER T 85 8.738 6.878 -9.358 1.00 0.00 C ATOM 1305 C SER T 85 8.430 5.457 -9.820 1.00 0.00 C ATOM 1306 O SER T 85 8.231 5.211 -11.010 1.00 0.00 O ATOM 1307 CB SER T 85 9.794 7.507 -10.268 1.00 0.00 C ATOM 1308 OG SER T 85 9.380 8.782 -10.726 1.00 0.00 O ATOM 0 H SER T 85 10.172 6.613 -7.852 1.00 0.00 H new ATOM 0 HA SER T 85 7.823 7.468 -9.417 1.00 0.00 H new ATOM 0 HB2 SER T 85 10.736 7.600 -9.727 1.00 0.00 H new ATOM 0 HB3 SER T 85 9.979 6.854 -11.121 1.00 0.00 H new ATOM 0 HG SER T 85 10.074 9.163 -11.304 1.00 0.00 H new ATOM 1314 N GLU T 86 8.390 4.526 -8.871 1.00 0.00 N ATOM 1315 CA GLU T 86 8.105 3.131 -9.182 1.00 0.00 C ATOM 1316 C GLU T 86 6.632 2.945 -9.529 1.00 0.00 C ATOM 1317 O GLU T 86 5.892 3.919 -9.667 1.00 0.00 O ATOM 1318 CB GLU T 86 8.481 2.237 -7.999 1.00 0.00 C ATOM 1319 CG GLU T 86 9.923 1.760 -8.033 1.00 0.00 C ATOM 1320 CD GLU T 86 10.074 0.404 -8.695 1.00 0.00 C ATOM 1321 OE1 GLU T 86 9.381 0.156 -9.704 1.00 0.00 O ATOM 1322 OE2 GLU T 86 10.882 -0.411 -8.203 1.00 0.00 O ATOM 0 H GLU T 86 8.551 4.713 -7.881 1.00 0.00 H new ATOM 0 HA GLU T 86 8.703 2.845 -10.047 1.00 0.00 H new ATOM 0 HB2 GLU T 86 8.309 2.784 -7.072 1.00 0.00 H new ATOM 0 HB3 GLU T 86 7.820 1.370 -7.985 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.531 2.490 -8.567 1.00 0.00 H new ATOM 0 HG3 GLU T 86 10.309 1.708 -7.015 1.00 0.00 H new ATOM 1329 N ARG T 87 6.210 1.693 -9.668 1.00 0.00 N ATOM 1330 CA ARG T 87 4.823 1.393 -10.000 1.00 0.00 C ATOM 1331 C ARG T 87 4.291 0.233 -9.168 1.00 0.00 C ATOM 1332 O ARG T 87 4.764 -0.898 -9.280 1.00 0.00 O ATOM 1333 CB ARG T 87 4.686 1.071 -11.486 1.00 0.00 C ATOM 1334 CG ARG T 87 5.602 1.888 -12.382 1.00 0.00 C ATOM 1335 CD ARG T 87 5.013 2.075 -13.770 1.00 0.00 C ATOM 1336 NE ARG T 87 6.049 2.167 -14.793 1.00 0.00 N ATOM 1337 CZ ARG T 87 5.796 2.250 -16.095 1.00 0.00 C ATOM 1338 NH1 ARG T 87 4.543 2.253 -16.530 1.00 0.00 N ATOM 1339 NH2 ARG T 87 6.796 2.332 -16.962 1.00 0.00 N ATOM 0 H ARG T 87 6.806 0.873 -9.556 1.00 0.00 H new ATOM 0 HA ARG T 87 4.231 2.279 -9.770 1.00 0.00 H new ATOM 0 HB2 ARG T 87 4.895 0.012 -11.639 1.00 0.00 H new ATOM 0 HB3 ARG T 87 3.653 1.239 -11.790 1.00 0.00 H new ATOM 0 HG2 ARG T 87 5.780 2.863 -11.928 1.00 0.00 H new ATOM 0 HG3 ARG T 87 6.570 1.392 -12.461 1.00 0.00 H new ATOM 0 HD2 ARG T 87 4.350 1.240 -13.999 1.00 0.00 H new ATOM 0 HD3 ARG T 87 4.404 2.979 -13.787 1.00 0.00 H new ATOM 0 HE ARG T 87 7.023 2.168 -14.492 1.00 0.00 H new ATOM 0 HH11 ARG T 87 3.772 2.192 -15.865 1.00 0.00 H new ATOM 0 HH12 ARG T 87 4.350 2.317 -17.530 1.00 0.00 H new ATOM 0 HH21 ARG T 87 7.760 2.331 -16.630 1.00 0.00 H new ATOM 0 HH22 ARG T 87 6.601 2.396 -17.961 1.00 0.00 H new ATOM 1353 N TRP T 88 3.296 0.528 -8.340 1.00 0.00 N ATOM 1354 CA TRP T 88 2.674 -0.475 -7.481 1.00 0.00 C ATOM 1355 C TRP T 88 1.217 -0.111 -7.219 1.00 0.00 C ATOM 1356 O TRP T 88 0.510 0.346 -8.117 1.00 0.00 O ATOM 1357 CB TRP T 88 3.421 -0.585 -6.148 1.00 0.00 C ATOM 1358 CG TRP T 88 4.910 -0.525 -6.278 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.715 0.538 -5.992 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.775 -1.577 -6.723 1.00 0.00 C ATOM 1361 NE1 TRP T 88 7.028 0.215 -6.234 1.00 0.00 N ATOM 1362 CE2 TRP T 88 7.090 -1.078 -6.685 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.563 -2.890 -7.151 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 8.190 -1.848 -7.057 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.655 -3.654 -7.521 1.00 0.00 C ATOM 1366 CH2 TRP T 88 7.954 -3.131 -7.471 1.00 0.00 C ATOM 0 H TRP T 88 2.899 1.463 -8.244 1.00 0.00 H new ATOM 0 HA TRP T 88 2.721 -1.437 -7.992 1.00 0.00 H new ATOM 0 HB2 TRP T 88 3.091 0.220 -5.491 1.00 0.00 H new ATOM 0 HB3 TRP T 88 3.146 -1.523 -5.666 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.370 1.495 -5.628 1.00 0.00 H new ATOM 0 HE1 TRP T 88 7.826 0.836 -6.100 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.565 -3.301 -7.192 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 9.192 -1.447 -7.020 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 6.504 -4.670 -7.854 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.786 -3.753 -7.765 1.00 0.00 H new ATOM 1377 N ASP T 89 0.783 -0.298 -5.979 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.583 0.029 -5.593 1.00 0.00 C ATOM 1379 C ASP T 89 -0.586 1.207 -4.631 1.00 0.00 C ATOM 1380 O ASP T 89 0.443 1.848 -4.416 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.270 -1.174 -4.946 1.00 0.00 C ATOM 1382 CG ASP T 89 -0.960 -2.469 -5.670 1.00 0.00 C ATOM 1383 OD1 ASP T 89 0.235 -2.818 -5.779 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -1.911 -3.134 -6.129 1.00 0.00 O ATOM 0 H ASP T 89 1.357 -0.674 -5.224 1.00 0.00 H new ATOM 0 HA ASP T 89 -1.136 0.298 -6.493 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -0.952 -1.256 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.348 -1.013 -4.938 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.743 1.489 -4.052 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.866 2.596 -3.116 1.00 0.00 C ATOM 1391 C ALA T 90 -2.845 2.270 -1.994 1.00 0.00 C ATOM 1392 O ALA T 90 -3.993 1.900 -2.245 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.306 3.852 -3.850 1.00 0.00 C ATOM 0 H ALA T 90 -2.606 0.970 -4.212 1.00 0.00 H new ATOM 0 HA ALA T 90 -0.888 2.767 -2.666 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.395 4.675 -3.141 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.568 4.106 -4.610 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.271 3.676 -4.326 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.385 2.425 -0.758 1.00 0.00 N ATOM 1400 CA TYR T 91 -3.220 2.163 0.402 1.00 0.00 C ATOM 1401 C TYR T 91 -3.814 3.468 0.919 1.00 0.00 C ATOM 1402 O TYR T 91 -3.089 4.428 1.171 1.00 0.00 O ATOM 1403 CB TYR T 91 -2.397 1.496 1.506 1.00 0.00 C ATOM 1404 CG TYR T 91 -2.166 0.016 1.303 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -3.229 -0.882 1.248 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -0.878 -0.489 1.169 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -3.011 -2.233 1.066 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -0.656 -1.839 0.987 1.00 0.00 C ATOM 1409 CZ TYR T 91 -1.724 -2.706 0.936 1.00 0.00 C ATOM 1410 OH TYR T 91 -1.508 -4.051 0.756 1.00 0.00 O ATOM 0 H TYR T 91 -1.438 2.731 -0.536 1.00 0.00 H new ATOM 0 HA TYR T 91 -4.027 1.492 0.109 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -1.431 1.996 1.575 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -2.902 1.645 2.460 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -4.240 -0.516 1.349 1.00 0.00 H new ATOM 0 HD2 TYR T 91 -0.036 0.187 1.208 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -3.846 -2.916 1.026 1.00 0.00 H new ATOM 0 HE2 TYR T 91 0.352 -2.214 0.885 1.00 0.00 H new ATOM 0 HH TYR T 91 -0.702 -4.183 0.215 1.00 0.00 H new ATOM 1420 N CYS T 92 -5.133 3.503 1.069 1.00 0.00 N ATOM 1421 CA CYS T 92 -5.805 4.703 1.551 1.00 0.00 C ATOM 1422 C CYS T 92 -6.141 4.581 3.032 1.00 0.00 C ATOM 1423 O CYS T 92 -6.135 3.485 3.593 1.00 0.00 O ATOM 1424 CB CYS T 92 -7.075 4.967 0.743 1.00 0.00 C ATOM 1425 SG CYS T 92 -6.999 6.470 -0.285 1.00 0.00 S ATOM 0 H CYS T 92 -5.754 2.720 0.865 1.00 0.00 H new ATOM 0 HA CYS T 92 -5.125 5.545 1.421 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -7.269 4.109 0.100 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -7.919 5.050 1.428 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.424 5.715 3.659 1.00 0.00 N ATOM 1431 CA TYR T 93 -6.753 5.745 5.075 1.00 0.00 C ATOM 1432 C TYR T 93 -7.579 6.982 5.413 1.00 0.00 C ATOM 1433 O TYR T 93 -7.121 8.111 5.239 1.00 0.00 O ATOM 1434 CB TYR T 93 -5.471 5.743 5.907 1.00 0.00 C ATOM 1435 CG TYR T 93 -5.713 5.543 7.386 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -6.207 6.575 8.172 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -5.445 4.323 7.995 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -6.428 6.400 9.524 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -5.663 4.140 9.348 1.00 0.00 C ATOM 1440 CZ TYR T 93 -6.156 5.181 10.107 1.00 0.00 C ATOM 1441 OH TYR T 93 -6.374 5.001 11.454 1.00 0.00 O ATOM 0 H TYR T 93 -6.432 6.629 3.206 1.00 0.00 H new ATOM 0 HA TYR T 93 -7.342 4.858 5.309 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -4.813 4.953 5.544 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -4.948 6.688 5.757 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -6.422 7.531 7.718 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -5.061 3.506 7.403 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -6.812 7.214 10.121 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -5.448 3.187 9.808 1.00 0.00 H new ATOM 0 HH TYR T 93 -6.132 4.085 11.705 1.00 0.00 H new ATOM 1451 N ASN T 94 -8.794 6.764 5.900 1.00 0.00 N ATOM 1452 CA ASN T 94 -9.676 7.864 6.266 1.00 0.00 C ATOM 1453 C ASN T 94 -10.416 7.553 7.563 1.00 0.00 C ATOM 1454 O ASN T 94 -10.744 6.399 7.838 1.00 0.00 O ATOM 1455 CB ASN T 94 -10.683 8.138 5.145 1.00 0.00 C ATOM 1456 CG ASN T 94 -10.062 8.855 3.962 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -8.961 8.520 3.526 1.00 0.00 O ATOM 1458 ND2 ASN T 94 -10.769 9.848 3.435 1.00 0.00 N ATOM 0 H ASN T 94 -9.191 5.836 6.050 1.00 0.00 H new ATOM 0 HA ASN T 94 -9.064 8.753 6.417 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -11.111 7.194 4.808 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -11.504 8.738 5.538 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -10.403 10.367 2.637 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -11.678 10.092 3.829 1.00 0.00 H new ATOM 1465 N PRO T 95 -10.693 8.584 8.375 1.00 0.00 N ATOM 1466 CA PRO T 95 -11.404 8.418 9.646 1.00 0.00 C ATOM 1467 C PRO T 95 -12.752 7.737 9.450 1.00 0.00 C ATOM 1468 O PRO T 95 -13.060 6.741 10.103 1.00 0.00 O ATOM 1469 CB PRO T 95 -11.593 9.853 10.161 1.00 0.00 C ATOM 1470 CG PRO T 95 -11.319 10.732 8.986 1.00 0.00 C ATOM 1471 CD PRO T 95 -10.348 9.986 8.121 1.00 0.00 C ATOM 0 HA PRO T 95 -10.853 7.786 10.342 1.00 0.00 H new ATOM 0 HB2 PRO T 95 -12.604 10.005 10.539 1.00 0.00 H new ATOM 0 HB3 PRO T 95 -10.910 10.070 10.982 1.00 0.00 H new ATOM 0 HG2 PRO T 95 -12.237 10.950 8.441 1.00 0.00 H new ATOM 0 HG3 PRO T 95 -10.902 11.688 9.304 1.00 0.00 H new ATOM 0 HD2 PRO T 95 -10.462 10.246 7.069 1.00 0.00 H new ATOM 0 HD3 PRO T 95 -9.315 10.203 8.393 1.00 0.00 H new ATOM 1479 N HIS T 96 -13.548 8.278 8.535 1.00 0.00 N ATOM 1480 CA HIS T 96 -14.860 7.722 8.236 1.00 0.00 C ATOM 1481 C HIS T 96 -14.785 6.819 7.010 1.00 0.00 C ATOM 1482 O HIS T 96 -15.572 5.883 6.866 1.00 0.00 O ATOM 1483 CB HIS T 96 -15.874 8.843 7.999 1.00 0.00 C ATOM 1484 CG HIS T 96 -15.789 9.944 9.009 1.00 0.00 C ATOM 1485 ND1 HIS T 96 -15.655 9.716 10.363 1.00 0.00 N ATOM 1486 CD2 HIS T 96 -15.819 11.290 8.858 1.00 0.00 C ATOM 1487 CE1 HIS T 96 -15.607 10.873 11.000 1.00 0.00 C ATOM 1488 NE2 HIS T 96 -15.704 11.842 10.109 1.00 0.00 N ATOM 0 H HIS T 96 -13.306 9.103 7.987 1.00 0.00 H new ATOM 0 HA HIS T 96 -15.186 7.130 9.091 1.00 0.00 H new ATOM 0 HB2 HIS T 96 -15.718 9.260 7.004 1.00 0.00 H new ATOM 0 HB3 HIS T 96 -16.880 8.423 8.014 1.00 0.00 H new ATOM 0 HD2 HIS T 96 -15.915 11.828 7.927 1.00 0.00 H new ATOM 0 HE1 HIS T 96 -15.506 11.003 12.067 1.00 0.00 H new ATOM 0 HE2 HIS T 96 -15.695 12.841 10.317 1.00 0.00 H new ATOM 1497 N ALA T 97 -13.825 7.109 6.133 1.00 0.00 N ATOM 1498 CA ALA T 97 -13.626 6.332 4.913 1.00 0.00 C ATOM 1499 C ALA T 97 -14.900 5.599 4.504 1.00 0.00 C ATOM 1500 O ALA T 97 -14.992 4.377 4.624 1.00 0.00 O ATOM 1501 CB ALA T 97 -12.481 5.348 5.097 1.00 0.00 C ATOM 0 H ALA T 97 -13.169 7.882 6.247 1.00 0.00 H new ATOM 0 HA ALA T 97 -13.372 7.025 4.111 1.00 0.00 H new ATOM 0 HB1 ALA T 97 -12.343 4.775 4.180 1.00 0.00 H new ATOM 0 HB2 ALA T 97 -11.565 5.894 5.325 1.00 0.00 H new ATOM 0 HB3 ALA T 97 -12.713 4.669 5.918 1.00 0.00 H new ATOM 1507 N LYS T 98 -15.881 6.354 4.019 1.00 0.00 N ATOM 1508 CA LYS T 98 -17.150 5.778 3.592 1.00 0.00 C ATOM 1509 C LYS T 98 -17.006 5.088 2.239 1.00 0.00 C ATOM 1510 O LYS T 98 -16.756 5.793 1.240 1.00 0.00 O ATOM 1511 CB LYS T 98 -18.225 6.864 3.512 1.00 0.00 C ATOM 1512 CG LYS T 98 -19.589 6.336 3.099 1.00 0.00 C ATOM 1513 CD LYS T 98 -20.710 7.050 3.837 1.00 0.00 C ATOM 1514 CE LYS T 98 -22.056 6.394 3.575 1.00 0.00 C ATOM 1515 NZ LYS T 98 -23.189 7.308 3.889 1.00 0.00 N ATOM 1516 OXT LYS T 98 -17.143 3.848 2.192 1.00 0.00 O ATOM 0 H LYS T 98 -15.821 7.367 3.912 1.00 0.00 H new ATOM 0 HA LYS T 98 -17.450 5.033 4.329 1.00 0.00 H new ATOM 0 HB2 LYS T 98 -18.311 7.351 4.483 1.00 0.00 H new ATOM 0 HB3 LYS T 98 -17.908 7.626 2.800 1.00 0.00 H new ATOM 0 HG2 LYS T 98 -19.720 6.464 2.025 1.00 0.00 H new ATOM 0 HG3 LYS T 98 -19.643 5.266 3.301 1.00 0.00 H new ATOM 0 HD2 LYS T 98 -20.504 7.045 4.907 1.00 0.00 H new ATOM 0 HD3 LYS T 98 -20.746 8.094 3.525 1.00 0.00 H new ATOM 0 HE2 LYS T 98 -22.114 6.089 2.530 1.00 0.00 H new ATOM 0 HE3 LYS T 98 -22.142 5.489 4.176 1.00 0.00 H new ATOM 0 HZ1 LYS T 98 -24.089 6.824 3.697 1.00 0.00 H new ATOM 0 HZ2 LYS T 98 -23.149 7.579 4.892 1.00 0.00 H new ATOM 0 HZ3 LYS T 98 -23.122 8.161 3.297 1.00 0.00 H new TER 1530 LYS T 98