USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=21 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 83 ASN : amide:sc= -0.357 K(o=-0.56,f=-4.2!) USER MOD Set 1.2: T 85 SER OG : rot 15:sc= -0.203 USER MOD Single : T 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 3 TYR OH : rot -42:sc= 1.09 USER MOD Single : T 4 HIS : no HE2:sc= -4.68! C(o=-4.7!,f=-6.6!) USER MOD Single : T 9 SER OG : rot -176:sc= -1.28! USER MOD Single : T 11 LYS NZ :NH3+ -161:sc= -0.937 (180deg=-1.62!) USER MOD Single : T 12 TYR OH : rot 180:sc= -0.503 USER MOD Single : T 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 15 THR OG1 : rot 180:sc= -0.0556 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 29 HIS : no HE2:sc= -4.84! C(o=-4.8!,f=-9.2!) USER MOD Single : T 32 THR OG1 : rot 160:sc= -1.76! USER MOD Single : T 33 TYR OH : rot 180:sc= 0 USER MOD Single : T 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 35 GLN : amide:sc= 0.043 K(o=0.043,f=-2.1) USER MOD Single : T 41 LYS NZ :NH3+ -159:sc= -1.03 (180deg=-1.89!) USER MOD Single : T 45 HIS :FLIP no HD1:sc= -5.04! C(o=-8.8!,f=-5!) USER MOD Single : T 52 MET CE :methyl -148:sc= -0.349 (180deg=-2.47) USER MOD Single : T 54 LYS NZ :NH3+ -151:sc= -0.11 (180deg=-0.556) USER MOD Single : T 59 TYR OH : rot 180:sc= 0 USER MOD Single : T 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 67 ASN :FLIP amide:sc= -0.619 F(o=-2.2,f=-0.62) USER MOD Single : T 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 73 THR OG1 : rot 180:sc= 0 USER MOD Single : T 78 TYR OH : rot 180:sc= 0 USER MOD Single : T 91 TYR OH : rot 121:sc= -1.13 USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD Single : T 94 ASN : amide:sc= -6.7! C(o=-6.7!,f=-15!) USER MOD Single : T 96 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : T 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY T 1 -9.366 3.672 9.536 1.00 0.00 N ATOM 2 CA GLY T 1 -10.035 3.485 8.219 1.00 0.00 C ATOM 3 C GLY T 1 -9.045 3.281 7.091 1.00 0.00 C ATOM 4 O GLY T 1 -8.687 4.228 6.391 1.00 0.00 O ATOM 0 H1 GLY T 1 -10.085 3.808 10.275 1.00 0.00 H new ATOM 0 H2 GLY T 1 -8.796 2.831 9.758 1.00 0.00 H new ATOM 0 H3 GLY T 1 -8.749 4.508 9.496 1.00 0.00 H new ATOM 0 HA2 GLY T 1 -10.702 2.625 8.273 1.00 0.00 H new ATOM 0 HA3 GLY T 1 -10.654 4.356 8.002 1.00 0.00 H new ATOM 10 N VAL T 2 -8.602 2.041 6.915 1.00 0.00 N ATOM 11 CA VAL T 2 -7.646 1.714 5.864 1.00 0.00 C ATOM 12 C VAL T 2 -8.299 0.885 4.765 1.00 0.00 C ATOM 13 O VAL T 2 -9.027 -0.068 5.041 1.00 0.00 O ATOM 14 CB VAL T 2 -6.440 0.933 6.419 1.00 0.00 C ATOM 15 CG1 VAL T 2 -5.189 1.239 5.609 1.00 0.00 C ATOM 16 CG2 VAL T 2 -6.224 1.249 7.890 1.00 0.00 C ATOM 0 H VAL T 2 -8.889 1.246 7.486 1.00 0.00 H new ATOM 0 HA VAL T 2 -7.301 2.662 5.451 1.00 0.00 H new ATOM 0 HB VAL T 2 -6.651 -0.133 6.332 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -4.347 0.679 6.015 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -5.349 0.951 4.570 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -4.974 2.306 5.661 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -5.367 0.686 8.261 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -6.037 2.316 8.009 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -7.113 0.971 8.456 1.00 0.00 H new ATOM 26 N TYR T 3 -8.028 1.250 3.516 1.00 0.00 N ATOM 27 CA TYR T 3 -8.584 0.533 2.374 1.00 0.00 C ATOM 28 C TYR T 3 -7.616 0.557 1.196 1.00 0.00 C ATOM 29 O TYR T 3 -7.016 1.589 0.894 1.00 0.00 O ATOM 30 CB TYR T 3 -9.926 1.139 1.957 1.00 0.00 C ATOM 31 CG TYR T 3 -10.454 2.174 2.924 1.00 0.00 C ATOM 32 CD1 TYR T 3 -10.044 3.498 2.844 1.00 0.00 C ATOM 33 CD2 TYR T 3 -11.362 1.826 3.916 1.00 0.00 C ATOM 34 CE1 TYR T 3 -10.523 4.447 3.726 1.00 0.00 C ATOM 35 CE2 TYR T 3 -11.847 2.769 4.801 1.00 0.00 C ATOM 36 CZ TYR T 3 -11.425 4.077 4.703 1.00 0.00 C ATOM 37 OH TYR T 3 -11.905 5.019 5.583 1.00 0.00 O ATOM 0 H TYR T 3 -7.428 2.037 3.269 1.00 0.00 H new ATOM 0 HA TYR T 3 -8.743 -0.503 2.674 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -9.818 1.596 0.973 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -10.660 0.339 1.858 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -9.339 3.791 2.080 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -11.694 0.801 3.997 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -10.194 5.473 3.652 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -12.553 2.483 5.566 1.00 0.00 H new ATOM 0 HH TYR T 3 -11.171 5.601 5.872 1.00 0.00 H new ATOM 47 N HIS T 4 -7.469 -0.586 0.535 1.00 0.00 N ATOM 48 CA HIS T 4 -6.574 -0.696 -0.610 1.00 0.00 C ATOM 49 C HIS T 4 -7.114 0.092 -1.798 1.00 0.00 C ATOM 50 O HIS T 4 -8.325 0.251 -1.952 1.00 0.00 O ATOM 51 CB HIS T 4 -6.385 -2.163 -1.000 1.00 0.00 C ATOM 52 CG HIS T 4 -5.713 -2.349 -2.324 1.00 0.00 C ATOM 53 ND1 HIS T 4 -6.338 -2.923 -3.412 1.00 0.00 N ATOM 54 CD2 HIS T 4 -4.462 -2.032 -2.736 1.00 0.00 C ATOM 55 CE1 HIS T 4 -5.501 -2.951 -4.434 1.00 0.00 C ATOM 56 NE2 HIS T 4 -4.357 -2.417 -4.050 1.00 0.00 N ATOM 0 H HIS T 4 -7.958 -1.449 0.773 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.609 -0.277 -0.326 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -5.797 -2.662 -0.230 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -7.359 -2.652 -1.024 1.00 0.00 H new ATOM 0 HD1 HIS T 4 -7.297 -3.271 -3.425 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -3.691 -1.564 -2.142 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -5.716 -3.344 -5.417 1.00 0.00 H new ATOM 65 N ARG T 5 -6.208 0.585 -2.635 1.00 0.00 N ATOM 66 CA ARG T 5 -6.592 1.358 -3.809 1.00 0.00 C ATOM 67 C ARG T 5 -5.657 1.073 -4.979 1.00 0.00 C ATOM 68 O ARG T 5 -4.460 0.859 -4.792 1.00 0.00 O ATOM 69 CB ARG T 5 -6.575 2.852 -3.483 1.00 0.00 C ATOM 70 CG ARG T 5 -7.591 3.262 -2.429 1.00 0.00 C ATOM 71 CD ARG T 5 -8.962 3.506 -3.040 1.00 0.00 C ATOM 72 NE ARG T 5 -10.026 3.443 -2.041 1.00 0.00 N ATOM 73 CZ ARG T 5 -11.176 2.804 -2.229 1.00 0.00 C ATOM 74 NH1 ARG T 5 -11.410 2.177 -3.374 1.00 0.00 N ATOM 75 NH2 ARG T 5 -12.093 2.790 -1.271 1.00 0.00 N ATOM 0 H ARG T 5 -5.202 0.463 -2.522 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.602 1.063 -4.095 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -5.578 3.128 -3.140 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -6.765 3.416 -4.396 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -7.663 2.483 -1.670 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -7.250 4.167 -1.926 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -8.975 4.483 -3.522 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -9.150 2.765 -3.817 1.00 0.00 H new ATOM 0 HE ARG T 5 -9.878 3.916 -1.149 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -10.707 2.185 -4.113 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -12.293 1.687 -3.516 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -11.916 3.270 -0.389 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -12.975 2.299 -1.417 1.00 0.00 H new ATOM 89 N GLU T 6 -6.210 1.075 -6.188 1.00 0.00 N ATOM 90 CA GLU T 6 -5.421 0.820 -7.388 1.00 0.00 C ATOM 91 C GLU T 6 -5.396 2.046 -8.292 1.00 0.00 C ATOM 92 O GLU T 6 -5.813 3.134 -7.894 1.00 0.00 O ATOM 93 CB GLU T 6 -5.979 -0.379 -8.157 1.00 0.00 C ATOM 94 CG GLU T 6 -7.239 -0.065 -8.947 1.00 0.00 C ATOM 95 CD GLU T 6 -8.409 0.302 -8.055 1.00 0.00 C ATOM 96 OE1 GLU T 6 -8.961 -0.605 -7.397 1.00 0.00 O ATOM 97 OE2 GLU T 6 -8.773 1.496 -8.015 1.00 0.00 O ATOM 0 H GLU T 6 -7.200 1.250 -6.362 1.00 0.00 H new ATOM 0 HA GLU T 6 -4.401 0.595 -7.075 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -5.215 -0.749 -8.841 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -6.193 -1.183 -7.453 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -7.038 0.758 -9.633 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -7.507 -0.929 -9.555 1.00 0.00 H new ATOM 104 N ALA T 7 -4.903 1.859 -9.509 1.00 0.00 N ATOM 105 CA ALA T 7 -4.820 2.947 -10.476 1.00 0.00 C ATOM 106 C ALA T 7 -5.982 2.895 -11.462 1.00 0.00 C ATOM 107 O ALA T 7 -6.542 1.830 -11.720 1.00 0.00 O ATOM 108 CB ALA T 7 -3.494 2.892 -11.218 1.00 0.00 C ATOM 0 H ALA T 7 -4.554 0.964 -9.851 1.00 0.00 H new ATOM 0 HA ALA T 7 -4.881 3.889 -9.932 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -3.445 3.710 -11.937 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.674 2.986 -10.506 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -3.411 1.941 -11.744 1.00 0.00 H new ATOM 114 N ARG T 8 -6.337 4.052 -12.011 1.00 0.00 N ATOM 115 CA ARG T 8 -7.431 4.137 -12.971 1.00 0.00 C ATOM 116 C ARG T 8 -7.134 3.292 -14.205 1.00 0.00 C ATOM 117 O ARG T 8 -8.034 2.966 -14.979 1.00 0.00 O ATOM 118 CB ARG T 8 -7.667 5.592 -13.378 1.00 0.00 C ATOM 119 CG ARG T 8 -8.538 6.367 -12.401 1.00 0.00 C ATOM 120 CD ARG T 8 -7.709 7.272 -11.505 1.00 0.00 C ATOM 121 NE ARG T 8 -8.346 8.570 -11.300 1.00 0.00 N ATOM 122 CZ ARG T 8 -9.350 8.772 -10.452 1.00 0.00 C ATOM 123 NH1 ARG T 8 -9.829 7.764 -9.735 1.00 0.00 N ATOM 124 NH2 ARG T 8 -9.877 9.982 -10.322 1.00 0.00 N ATOM 0 H ARG T 8 -5.883 4.943 -11.808 1.00 0.00 H new ATOM 0 HA ARG T 8 -8.333 3.751 -12.496 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -6.704 6.095 -13.470 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -8.134 5.613 -14.363 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -9.261 6.966 -12.954 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -9.106 5.668 -11.787 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -7.556 6.787 -10.541 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -6.724 7.417 -11.948 1.00 0.00 H new ATOM 0 HE ARG T 8 -8.002 9.366 -11.837 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -9.427 6.832 -9.834 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -10.599 7.921 -9.085 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -9.512 10.759 -10.873 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -10.647 10.136 -9.671 1.00 0.00 H new ATOM 138 N SER T 9 -5.864 2.939 -14.381 1.00 0.00 N ATOM 139 CA SER T 9 -5.445 2.130 -15.520 1.00 0.00 C ATOM 140 C SER T 9 -5.247 0.675 -15.108 1.00 0.00 C ATOM 141 O SER T 9 -5.350 -0.233 -15.933 1.00 0.00 O ATOM 142 CB SER T 9 -4.151 2.684 -16.118 1.00 0.00 C ATOM 143 OG SER T 9 -3.380 3.353 -15.135 1.00 0.00 O ATOM 0 H SER T 9 -5.107 3.201 -13.749 1.00 0.00 H new ATOM 0 HA SER T 9 -6.231 2.172 -16.274 1.00 0.00 H new ATOM 0 HB2 SER T 9 -3.569 1.870 -16.550 1.00 0.00 H new ATOM 0 HB3 SER T 9 -4.387 3.372 -16.930 1.00 0.00 H new ATOM 0 HG SER T 9 -2.589 3.751 -15.555 1.00 0.00 H new ATOM 149 N GLY T 10 -4.963 0.460 -13.827 1.00 0.00 N ATOM 150 CA GLY T 10 -4.757 -0.887 -13.330 1.00 0.00 C ATOM 151 C GLY T 10 -3.657 -0.959 -12.290 1.00 0.00 C ATOM 152 O GLY T 10 -2.882 -0.016 -12.127 1.00 0.00 O ATOM 0 H GLY T 10 -4.872 1.195 -13.125 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -5.686 -1.258 -12.898 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -4.509 -1.544 -14.163 1.00 0.00 H new ATOM 156 N LYS T 11 -3.593 -2.083 -11.584 1.00 0.00 N ATOM 157 CA LYS T 11 -2.586 -2.287 -10.550 1.00 0.00 C ATOM 158 C LYS T 11 -1.177 -2.120 -11.115 1.00 0.00 C ATOM 159 O LYS T 11 -0.940 -2.357 -12.299 1.00 0.00 O ATOM 160 CB LYS T 11 -2.742 -3.679 -9.934 1.00 0.00 C ATOM 161 CG LYS T 11 -1.534 -4.126 -9.126 1.00 0.00 C ATOM 162 CD LYS T 11 -1.716 -5.535 -8.586 1.00 0.00 C ATOM 163 CE LYS T 11 -1.175 -6.578 -9.551 1.00 0.00 C ATOM 164 NZ LYS T 11 -1.916 -6.578 -10.843 1.00 0.00 N ATOM 0 H LYS T 11 -4.230 -2.870 -11.710 1.00 0.00 H new ATOM 0 HA LYS T 11 -2.734 -1.533 -9.777 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -3.622 -3.686 -9.291 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -2.924 -4.401 -10.730 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -0.642 -4.087 -9.751 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -1.373 -3.436 -8.298 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -1.206 -5.626 -7.627 1.00 0.00 H new ATOM 0 HD3 LYS T 11 -2.774 -5.722 -8.403 1.00 0.00 H new ATOM 0 HE2 LYS T 11 -0.119 -6.385 -9.739 1.00 0.00 H new ATOM 0 HE3 LYS T 11 -1.243 -7.565 -9.094 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 -1.752 -7.478 -11.337 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -2.933 -6.464 -10.660 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 -1.581 -5.792 -11.436 1.00 0.00 H new ATOM 178 N TYR T 12 -0.247 -1.711 -10.256 1.00 0.00 N ATOM 179 CA TYR T 12 1.141 -1.511 -10.661 1.00 0.00 C ATOM 180 C TYR T 12 1.254 -0.406 -11.706 1.00 0.00 C ATOM 181 O TYR T 12 1.798 -0.615 -12.790 1.00 0.00 O ATOM 182 CB TYR T 12 1.730 -2.813 -11.208 1.00 0.00 C ATOM 183 CG TYR T 12 1.874 -3.902 -10.166 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.699 -3.627 -8.815 1.00 0.00 C ATOM 185 CD2 TYR T 12 2.183 -5.205 -10.535 1.00 0.00 C ATOM 186 CE1 TYR T 12 1.829 -4.620 -7.862 1.00 0.00 C ATOM 187 CE2 TYR T 12 2.314 -6.203 -9.588 1.00 0.00 C ATOM 188 CZ TYR T 12 2.136 -5.905 -8.254 1.00 0.00 C ATOM 189 OH TYR T 12 2.266 -6.897 -7.308 1.00 0.00 O ATOM 0 H TYR T 12 -0.430 -1.511 -9.273 1.00 0.00 H new ATOM 0 HA TYR T 12 1.707 -1.208 -9.780 1.00 0.00 H new ATOM 0 HB2 TYR T 12 1.095 -3.177 -12.016 1.00 0.00 H new ATOM 0 HB3 TYR T 12 2.709 -2.605 -11.641 1.00 0.00 H new ATOM 0 HD1 TYR T 12 1.458 -2.621 -8.505 1.00 0.00 H new ATOM 0 HD2 TYR T 12 2.323 -5.442 -11.579 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.691 -4.390 -6.816 1.00 0.00 H new ATOM 0 HE2 TYR T 12 2.555 -7.211 -9.892 1.00 0.00 H new ATOM 0 HH TYR T 12 2.483 -7.744 -7.750 1.00 0.00 H new ATOM 199 N LYS T 13 0.738 0.772 -11.368 1.00 0.00 N ATOM 200 CA LYS T 13 0.781 1.916 -12.271 1.00 0.00 C ATOM 201 C LYS T 13 0.726 3.223 -11.487 1.00 0.00 C ATOM 202 O LYS T 13 0.726 4.309 -12.066 1.00 0.00 O ATOM 203 CB LYS T 13 -0.383 1.855 -13.263 1.00 0.00 C ATOM 204 CG LYS T 13 -0.182 0.843 -14.379 1.00 0.00 C ATOM 205 CD LYS T 13 -1.010 1.190 -15.605 1.00 0.00 C ATOM 206 CE LYS T 13 -1.593 -0.054 -16.256 1.00 0.00 C ATOM 207 NZ LYS T 13 -1.516 0.008 -17.741 1.00 0.00 N ATOM 0 H LYS T 13 0.285 0.959 -10.474 1.00 0.00 H new ATOM 0 HA LYS T 13 1.720 1.879 -12.823 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -1.297 1.610 -12.722 1.00 0.00 H new ATOM 0 HB3 LYS T 13 -0.527 2.842 -13.702 1.00 0.00 H new ATOM 0 HG2 LYS T 13 0.873 0.805 -14.651 1.00 0.00 H new ATOM 0 HG3 LYS T 13 -0.456 -0.150 -14.024 1.00 0.00 H new ATOM 0 HD2 LYS T 13 -1.817 1.865 -15.321 1.00 0.00 H new ATOM 0 HD3 LYS T 13 -0.389 1.722 -16.326 1.00 0.00 H new ATOM 0 HE2 LYS T 13 -1.057 -0.934 -15.901 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -2.633 -0.170 -15.951 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -1.924 -0.859 -18.146 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 -2.049 0.834 -18.082 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 -0.522 0.093 -18.034 1.00 0.00 H new ATOM 221 N LEU T 14 0.674 3.107 -10.164 1.00 0.00 N ATOM 222 CA LEU T 14 0.612 4.273 -9.292 1.00 0.00 C ATOM 223 C LEU T 14 1.957 4.539 -8.628 1.00 0.00 C ATOM 224 O LEU T 14 2.605 3.623 -8.120 1.00 0.00 O ATOM 225 CB LEU T 14 -0.457 4.067 -8.219 1.00 0.00 C ATOM 226 CG LEU T 14 -1.874 4.473 -8.623 1.00 0.00 C ATOM 227 CD1 LEU T 14 -2.893 3.821 -7.702 1.00 0.00 C ATOM 228 CD2 LEU T 14 -2.023 5.986 -8.605 1.00 0.00 C ATOM 0 H LEU T 14 0.674 2.214 -9.672 1.00 0.00 H new ATOM 0 HA LEU T 14 0.355 5.137 -9.905 1.00 0.00 H new ATOM 0 HB2 LEU T 14 -0.465 3.015 -7.935 1.00 0.00 H new ATOM 0 HB3 LEU T 14 -0.173 4.634 -7.333 1.00 0.00 H new ATOM 0 HG LEU T 14 -2.057 4.126 -9.640 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -3.898 4.119 -8.002 1.00 0.00 H new ATOM 0 HD12 LEU T 14 -2.802 2.737 -7.768 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -2.711 4.139 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -3.039 6.255 -8.895 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -1.822 6.360 -7.601 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -1.316 6.430 -9.306 1.00 0.00 H new ATOM 240 N THR T 15 2.363 5.802 -8.625 1.00 0.00 N ATOM 241 CA THR T 15 3.621 6.202 -8.011 1.00 0.00 C ATOM 242 C THR T 15 3.357 6.906 -6.687 1.00 0.00 C ATOM 243 O THR T 15 2.335 7.569 -6.528 1.00 0.00 O ATOM 244 CB THR T 15 4.425 7.141 -8.930 1.00 0.00 C ATOM 245 OG1 THR T 15 3.929 8.480 -8.818 1.00 0.00 O ATOM 246 CG2 THR T 15 4.342 6.684 -10.378 1.00 0.00 C ATOM 0 H THR T 15 1.837 6.569 -9.043 1.00 0.00 H new ATOM 0 HA THR T 15 4.206 5.298 -7.842 1.00 0.00 H new ATOM 0 HB THR T 15 5.469 7.113 -8.616 1.00 0.00 H new ATOM 0 HG1 THR T 15 4.447 9.071 -9.404 1.00 0.00 H new ATOM 0 HG21 THR T 15 4.918 7.363 -11.007 1.00 0.00 H new ATOM 0 HG22 THR T 15 4.748 5.676 -10.465 1.00 0.00 H new ATOM 0 HG23 THR T 15 3.301 6.685 -10.701 1.00 0.00 H new ATOM 254 N TYR T 16 4.272 6.756 -5.737 1.00 0.00 N ATOM 255 CA TYR T 16 4.113 7.384 -4.429 1.00 0.00 C ATOM 256 C TYR T 16 3.435 8.744 -4.558 1.00 0.00 C ATOM 257 O TYR T 16 2.608 9.118 -3.727 1.00 0.00 O ATOM 258 CB TYR T 16 5.467 7.547 -3.743 1.00 0.00 C ATOM 259 CG TYR T 16 5.398 8.355 -2.468 1.00 0.00 C ATOM 260 CD1 TYR T 16 4.894 7.800 -1.298 1.00 0.00 C ATOM 261 CD2 TYR T 16 5.833 9.674 -2.436 1.00 0.00 C ATOM 262 CE1 TYR T 16 4.827 8.538 -0.131 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.769 10.418 -1.273 1.00 0.00 C ATOM 264 CZ TYR T 16 5.265 9.845 -0.124 1.00 0.00 C ATOM 265 OH TYR T 16 5.200 10.583 1.036 1.00 0.00 O ATOM 0 H TYR T 16 5.126 6.209 -5.845 1.00 0.00 H new ATOM 0 HA TYR T 16 3.483 6.734 -3.822 1.00 0.00 H new ATOM 0 HB2 TYR T 16 5.874 6.561 -3.518 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.160 8.028 -4.433 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.549 6.776 -1.300 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.228 10.125 -3.334 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.433 8.093 0.771 1.00 0.00 H new ATOM 0 HE2 TYR T 16 6.112 11.442 -1.264 1.00 0.00 H new ATOM 0 HH TYR T 16 5.549 11.484 0.871 1.00 0.00 H new ATOM 275 N ALA T 17 3.793 9.478 -5.606 1.00 0.00 N ATOM 276 CA ALA T 17 3.223 10.797 -5.846 1.00 0.00 C ATOM 277 C ALA T 17 1.767 10.699 -6.293 1.00 0.00 C ATOM 278 O ALA T 17 0.913 11.447 -5.817 1.00 0.00 O ATOM 279 CB ALA T 17 4.051 11.545 -6.879 1.00 0.00 C ATOM 0 H ALA T 17 4.476 9.181 -6.303 1.00 0.00 H new ATOM 0 HA ALA T 17 3.244 11.352 -4.908 1.00 0.00 H new ATOM 0 HB1 ALA T 17 3.616 12.530 -7.051 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.072 11.658 -6.514 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.060 10.984 -7.814 1.00 0.00 H new ATOM 285 N GLU T 18 1.485 9.771 -7.205 1.00 0.00 N ATOM 286 CA GLU T 18 0.133 9.578 -7.704 1.00 0.00 C ATOM 287 C GLU T 18 -0.733 8.907 -6.645 1.00 0.00 C ATOM 288 O GLU T 18 -1.844 9.353 -6.358 1.00 0.00 O ATOM 289 CB GLU T 18 0.162 8.727 -8.972 1.00 0.00 C ATOM 290 CG GLU T 18 0.961 9.354 -10.104 1.00 0.00 C ATOM 291 CD GLU T 18 1.067 8.450 -11.316 1.00 0.00 C ATOM 292 OE1 GLU T 18 1.270 7.231 -11.132 1.00 0.00 O ATOM 293 OE2 GLU T 18 0.946 8.960 -12.450 1.00 0.00 O ATOM 0 H GLU T 18 2.178 9.142 -7.611 1.00 0.00 H new ATOM 0 HA GLU T 18 -0.296 10.552 -7.938 1.00 0.00 H new ATOM 0 HB2 GLU T 18 0.586 7.751 -8.736 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.860 8.557 -9.310 1.00 0.00 H new ATOM 0 HG2 GLU T 18 0.493 10.294 -10.397 1.00 0.00 H new ATOM 0 HG3 GLU T 18 1.962 9.595 -9.747 1.00 0.00 H new ATOM 300 N ALA T 19 -0.207 7.835 -6.065 1.00 0.00 N ATOM 301 CA ALA T 19 -0.910 7.092 -5.031 1.00 0.00 C ATOM 302 C ALA T 19 -1.432 8.026 -3.945 1.00 0.00 C ATOM 303 O ALA T 19 -2.581 7.917 -3.515 1.00 0.00 O ATOM 304 CB ALA T 19 0.014 6.046 -4.428 1.00 0.00 C ATOM 0 H ALA T 19 0.713 7.460 -6.297 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.766 6.594 -5.486 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.518 5.493 -3.654 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.341 5.357 -5.207 1.00 0.00 H new ATOM 0 HB3 ALA T 19 0.883 6.537 -3.990 1.00 0.00 H new ATOM 310 N LYS T 20 -0.578 8.945 -3.507 1.00 0.00 N ATOM 311 CA LYS T 20 -0.946 9.903 -2.473 1.00 0.00 C ATOM 312 C LYS T 20 -2.028 10.852 -2.973 1.00 0.00 C ATOM 313 O LYS T 20 -3.089 10.974 -2.363 1.00 0.00 O ATOM 314 CB LYS T 20 0.282 10.700 -2.034 1.00 0.00 C ATOM 315 CG LYS T 20 0.113 11.391 -0.690 1.00 0.00 C ATOM 316 CD LYS T 20 1.403 12.057 -0.239 1.00 0.00 C ATOM 317 CE LYS T 20 1.261 12.670 1.144 1.00 0.00 C ATOM 318 NZ LYS T 20 2.437 13.509 1.505 1.00 0.00 N ATOM 0 H LYS T 20 0.376 9.046 -3.854 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.339 9.350 -1.620 1.00 0.00 H new ATOM 0 HB2 LYS T 20 1.140 10.030 -1.983 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.508 11.450 -2.792 1.00 0.00 H new ATOM 0 HG2 LYS T 20 -0.678 12.138 -0.761 1.00 0.00 H new ATOM 0 HG3 LYS T 20 -0.202 10.663 0.057 1.00 0.00 H new ATOM 0 HD2 LYS T 20 2.209 11.323 -0.232 1.00 0.00 H new ATOM 0 HD3 LYS T 20 1.683 12.831 -0.954 1.00 0.00 H new ATOM 0 HE2 LYS T 20 0.357 13.278 1.180 1.00 0.00 H new ATOM 0 HE3 LYS T 20 1.141 11.877 1.882 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 2.300 13.908 2.455 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 3.297 12.924 1.496 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 2.537 14.282 0.816 1.00 0.00 H new ATOM 332 N ALA T 21 -1.750 11.521 -4.085 1.00 0.00 N ATOM 333 CA ALA T 21 -2.699 12.461 -4.669 1.00 0.00 C ATOM 334 C ALA T 21 -4.118 11.905 -4.632 1.00 0.00 C ATOM 335 O ALA T 21 -5.075 12.640 -4.395 1.00 0.00 O ATOM 336 CB ALA T 21 -2.300 12.796 -6.098 1.00 0.00 C ATOM 0 H ALA T 21 -0.875 11.430 -4.601 1.00 0.00 H new ATOM 0 HA ALA T 21 -2.679 13.374 -4.074 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -3.018 13.499 -6.521 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -1.307 13.245 -6.103 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -2.289 11.885 -6.696 1.00 0.00 H new ATOM 342 N VAL T 22 -4.244 10.604 -4.868 1.00 0.00 N ATOM 343 CA VAL T 22 -5.547 9.947 -4.864 1.00 0.00 C ATOM 344 C VAL T 22 -6.120 9.862 -3.455 1.00 0.00 C ATOM 345 O VAL T 22 -7.272 10.227 -3.219 1.00 0.00 O ATOM 346 CB VAL T 22 -5.460 8.528 -5.460 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.578 7.649 -4.921 1.00 0.00 C ATOM 348 CG2 VAL T 22 -5.500 8.584 -6.979 1.00 0.00 C ATOM 0 H VAL T 22 -3.459 9.982 -5.065 1.00 0.00 H new ATOM 0 HA VAL T 22 -6.209 10.554 -5.482 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.509 8.087 -5.160 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.498 6.652 -5.354 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.496 7.581 -3.836 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.542 8.083 -5.186 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -5.437 7.573 -7.382 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -6.433 9.046 -7.302 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.658 9.173 -7.344 1.00 0.00 H new ATOM 358 N CYS T 23 -5.311 9.377 -2.523 1.00 0.00 N ATOM 359 CA CYS T 23 -5.736 9.243 -1.137 1.00 0.00 C ATOM 360 C CYS T 23 -6.026 10.610 -0.531 1.00 0.00 C ATOM 361 O CYS T 23 -7.094 10.836 0.037 1.00 0.00 O ATOM 362 CB CYS T 23 -4.658 8.527 -0.323 1.00 0.00 C ATOM 363 SG CYS T 23 -4.603 6.725 -0.587 1.00 0.00 S ATOM 0 H CYS T 23 -4.355 9.069 -2.702 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.651 8.652 -1.112 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -3.686 8.950 -0.575 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -4.826 8.724 0.736 1.00 0.00 H new ATOM 368 N GLU T 24 -5.067 11.519 -0.663 1.00 0.00 N ATOM 369 CA GLU T 24 -5.215 12.870 -0.134 1.00 0.00 C ATOM 370 C GLU T 24 -6.253 13.654 -0.931 1.00 0.00 C ATOM 371 O GLU T 24 -6.736 14.695 -0.485 1.00 0.00 O ATOM 372 CB GLU T 24 -3.872 13.602 -0.166 1.00 0.00 C ATOM 373 CG GLU T 24 -3.814 14.812 0.752 1.00 0.00 C ATOM 374 CD GLU T 24 -2.404 15.135 1.205 1.00 0.00 C ATOM 375 OE1 GLU T 24 -1.568 15.481 0.344 1.00 0.00 O ATOM 376 OE2 GLU T 24 -2.135 15.042 2.421 1.00 0.00 O ATOM 0 H GLU T 24 -4.178 11.345 -1.132 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.556 12.795 0.899 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -3.082 12.906 0.115 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -3.667 13.922 -1.188 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -4.232 15.676 0.235 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -4.439 14.630 1.626 1.00 0.00 H new ATOM 383 N PHE T 25 -6.591 13.146 -2.112 1.00 0.00 N ATOM 384 CA PHE T 25 -7.573 13.797 -2.973 1.00 0.00 C ATOM 385 C PHE T 25 -8.864 14.072 -2.213 1.00 0.00 C ATOM 386 O PHE T 25 -9.376 15.192 -2.217 1.00 0.00 O ATOM 387 CB PHE T 25 -7.865 12.928 -4.198 1.00 0.00 C ATOM 388 CG PHE T 25 -7.944 13.703 -5.482 1.00 0.00 C ATOM 389 CD1 PHE T 25 -6.795 14.198 -6.078 1.00 0.00 C ATOM 390 CD2 PHE T 25 -9.165 13.936 -6.093 1.00 0.00 C ATOM 391 CE1 PHE T 25 -6.863 14.910 -7.260 1.00 0.00 C ATOM 392 CE2 PHE T 25 -9.240 14.648 -7.275 1.00 0.00 C ATOM 393 CZ PHE T 25 -8.087 15.136 -7.860 1.00 0.00 C ATOM 0 H PHE T 25 -6.199 12.285 -2.495 1.00 0.00 H new ATOM 0 HA PHE T 25 -7.156 14.749 -3.302 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -7.087 12.170 -4.289 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -8.807 12.401 -4.043 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -5.836 14.025 -5.613 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -10.069 13.557 -5.640 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -5.960 15.290 -7.715 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -10.198 14.823 -7.741 1.00 0.00 H new ATOM 0 HZ PHE T 25 -8.142 15.693 -8.784 1.00 0.00 H new ATOM 403 N GLU T 26 -9.384 13.041 -1.560 1.00 0.00 N ATOM 404 CA GLU T 26 -10.616 13.162 -0.791 1.00 0.00 C ATOM 405 C GLU T 26 -10.316 13.301 0.696 1.00 0.00 C ATOM 406 O GLU T 26 -10.834 12.549 1.521 1.00 0.00 O ATOM 407 CB GLU T 26 -11.513 11.950 -1.036 1.00 0.00 C ATOM 408 CG GLU T 26 -11.717 11.645 -2.509 1.00 0.00 C ATOM 409 CD GLU T 26 -12.677 10.495 -2.740 1.00 0.00 C ATOM 410 OE1 GLU T 26 -12.305 9.340 -2.442 1.00 0.00 O ATOM 411 OE2 GLU T 26 -13.802 10.748 -3.220 1.00 0.00 O ATOM 0 H GLU T 26 -8.970 12.109 -1.548 1.00 0.00 H new ATOM 0 HA GLU T 26 -11.137 14.061 -1.121 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -11.076 11.078 -0.548 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.483 12.124 -0.570 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -12.095 12.535 -3.011 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.755 11.407 -2.963 1.00 0.00 H new ATOM 418 N GLY T 27 -9.476 14.274 1.025 1.00 0.00 N ATOM 419 CA GLY T 27 -9.113 14.511 2.408 1.00 0.00 C ATOM 420 C GLY T 27 -8.644 13.247 3.103 1.00 0.00 C ATOM 421 O GLY T 27 -8.881 13.063 4.297 1.00 0.00 O ATOM 0 H GLY T 27 -9.038 14.906 0.355 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -8.323 15.261 2.451 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -9.971 14.920 2.942 1.00 0.00 H new ATOM 425 N GLY T 28 -7.975 12.375 2.355 1.00 0.00 N ATOM 426 CA GLY T 28 -7.480 11.135 2.925 1.00 0.00 C ATOM 427 C GLY T 28 -5.987 11.193 3.176 1.00 0.00 C ATOM 428 O GLY T 28 -5.350 12.217 2.928 1.00 0.00 O ATOM 0 H GLY T 28 -7.767 12.505 1.365 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -7.999 10.932 3.862 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -7.704 10.309 2.250 1.00 0.00 H new ATOM 432 N HIS T 29 -5.423 10.094 3.670 1.00 0.00 N ATOM 433 CA HIS T 29 -3.995 10.036 3.952 1.00 0.00 C ATOM 434 C HIS T 29 -3.448 8.632 3.718 1.00 0.00 C ATOM 435 O HIS T 29 -4.055 7.642 4.126 1.00 0.00 O ATOM 436 CB HIS T 29 -3.712 10.470 5.393 1.00 0.00 C ATOM 437 CG HIS T 29 -4.930 10.931 6.133 1.00 0.00 C ATOM 438 ND1 HIS T 29 -5.615 12.084 5.811 1.00 0.00 N ATOM 439 CD2 HIS T 29 -5.586 10.388 7.187 1.00 0.00 C ATOM 440 CE1 HIS T 29 -6.637 12.231 6.636 1.00 0.00 C ATOM 441 NE2 HIS T 29 -6.642 11.216 7.479 1.00 0.00 N ATOM 0 H HIS T 29 -5.932 9.236 3.882 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.493 10.722 3.270 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -3.264 9.636 5.933 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -2.977 11.275 5.383 1.00 0.00 H new ATOM 0 HD1 HIS T 29 -5.371 12.723 5.055 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -5.327 9.474 7.701 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -7.348 13.044 6.622 1.00 0.00 H new ATOM 450 N LEU T 30 -2.296 8.558 3.059 1.00 0.00 N ATOM 451 CA LEU T 30 -1.657 7.285 2.769 1.00 0.00 C ATOM 452 C LEU T 30 -1.590 6.406 4.011 1.00 0.00 C ATOM 453 O LEU T 30 -1.381 6.895 5.121 1.00 0.00 O ATOM 454 CB LEU T 30 -0.247 7.524 2.232 1.00 0.00 C ATOM 455 CG LEU T 30 0.037 6.904 0.870 1.00 0.00 C ATOM 456 CD1 LEU T 30 1.273 7.532 0.244 1.00 0.00 C ATOM 457 CD2 LEU T 30 0.207 5.400 1.007 1.00 0.00 C ATOM 0 H LEU T 30 -1.786 9.371 2.715 1.00 0.00 H new ATOM 0 HA LEU T 30 -2.255 6.769 2.017 1.00 0.00 H new ATOM 0 HB2 LEU T 30 -0.076 8.599 2.168 1.00 0.00 H new ATOM 0 HB3 LEU T 30 0.471 7.129 2.951 1.00 0.00 H new ATOM 0 HG LEU T 30 -0.810 7.099 0.212 1.00 0.00 H new ATOM 0 HD11 LEU T 30 1.460 7.076 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU T 30 1.113 8.603 0.118 1.00 0.00 H new ATOM 0 HD13 LEU T 30 2.133 7.368 0.893 1.00 0.00 H new ATOM 0 HD21 LEU T 30 0.410 4.966 0.028 1.00 0.00 H new ATOM 0 HD22 LEU T 30 1.040 5.188 1.677 1.00 0.00 H new ATOM 0 HD23 LEU T 30 -0.706 4.966 1.414 1.00 0.00 H new ATOM 469 N ALA T 31 -1.755 5.103 3.814 1.00 0.00 N ATOM 470 CA ALA T 31 -1.699 4.154 4.914 1.00 0.00 C ATOM 471 C ALA T 31 -0.253 3.777 5.216 1.00 0.00 C ATOM 472 O ALA T 31 0.562 3.645 4.304 1.00 0.00 O ATOM 473 CB ALA T 31 -2.516 2.913 4.586 1.00 0.00 C ATOM 0 H ALA T 31 -1.929 4.682 2.901 1.00 0.00 H new ATOM 0 HA ALA T 31 -2.126 4.624 5.800 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.464 2.212 5.419 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -3.555 3.196 4.414 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -2.116 2.440 3.689 1.00 0.00 H new ATOM 479 N THR T 32 0.064 3.613 6.494 1.00 0.00 N ATOM 480 CA THR T 32 1.421 3.260 6.900 1.00 0.00 C ATOM 481 C THR T 32 1.552 1.769 7.170 1.00 0.00 C ATOM 482 O THR T 32 0.638 0.992 6.896 1.00 0.00 O ATOM 483 CB THR T 32 1.850 4.023 8.165 1.00 0.00 C ATOM 484 OG1 THR T 32 1.100 3.559 9.295 1.00 0.00 O ATOM 485 CG2 THR T 32 1.645 5.518 7.991 1.00 0.00 C ATOM 0 H THR T 32 -0.596 3.718 7.265 1.00 0.00 H new ATOM 0 HA THR T 32 2.070 3.539 6.070 1.00 0.00 H new ATOM 0 HB THR T 32 2.911 3.837 8.333 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.573 3.793 10.120 1.00 0.00 H new ATOM 0 HG21 THR T 32 1.955 6.036 8.898 1.00 0.00 H new ATOM 0 HG22 THR T 32 2.241 5.871 7.150 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.591 5.721 7.800 1.00 0.00 H new ATOM 493 N TYR T 33 2.695 1.383 7.722 1.00 0.00 N ATOM 494 CA TYR T 33 2.955 -0.012 8.049 1.00 0.00 C ATOM 495 C TYR T 33 2.094 -0.442 9.224 1.00 0.00 C ATOM 496 O TYR T 33 1.179 -1.252 9.080 1.00 0.00 O ATOM 497 CB TYR T 33 4.431 -0.212 8.392 1.00 0.00 C ATOM 498 CG TYR T 33 4.768 -1.593 8.910 1.00 0.00 C ATOM 499 CD1 TYR T 33 4.666 -2.712 8.091 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.189 -1.778 10.222 1.00 0.00 C ATOM 501 CE1 TYR T 33 4.974 -3.973 8.564 1.00 0.00 C ATOM 502 CE2 TYR T 33 5.499 -3.036 10.701 1.00 0.00 C ATOM 503 CZ TYR T 33 5.390 -4.129 9.869 1.00 0.00 C ATOM 504 OH TYR T 33 5.697 -5.384 10.344 1.00 0.00 O ATOM 0 H TYR T 33 3.458 2.019 7.953 1.00 0.00 H new ATOM 0 HA TYR T 33 2.708 -0.623 7.181 1.00 0.00 H new ATOM 0 HB2 TYR T 33 5.029 -0.015 7.502 1.00 0.00 H new ATOM 0 HB3 TYR T 33 4.721 0.525 9.141 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.341 -2.593 7.068 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.275 -0.924 10.878 1.00 0.00 H new ATOM 0 HE1 TYR T 33 4.889 -4.832 7.915 1.00 0.00 H new ATOM 0 HE2 TYR T 33 5.825 -3.162 11.723 1.00 0.00 H new ATOM 0 HH TYR T 33 5.974 -5.320 11.282 1.00 0.00 H new ATOM 514 N LYS T 34 2.398 0.116 10.387 1.00 0.00 N ATOM 515 CA LYS T 34 1.659 -0.192 11.603 1.00 0.00 C ATOM 516 C LYS T 34 0.158 -0.076 11.367 1.00 0.00 C ATOM 517 O LYS T 34 -0.624 -0.869 11.891 1.00 0.00 O ATOM 518 CB LYS T 34 2.084 0.743 12.736 1.00 0.00 C ATOM 519 CG LYS T 34 3.572 0.713 13.044 1.00 0.00 C ATOM 520 CD LYS T 34 3.885 -0.225 14.199 1.00 0.00 C ATOM 521 CE LYS T 34 4.989 0.330 15.084 1.00 0.00 C ATOM 522 NZ LYS T 34 4.446 1.133 16.213 1.00 0.00 N ATOM 0 H LYS T 34 3.155 0.788 10.514 1.00 0.00 H new ATOM 0 HA LYS T 34 1.887 -1.219 11.888 1.00 0.00 H new ATOM 0 HB2 LYS T 34 1.799 1.763 12.477 1.00 0.00 H new ATOM 0 HB3 LYS T 34 1.532 0.477 13.638 1.00 0.00 H new ATOM 0 HG2 LYS T 34 4.121 0.396 12.158 1.00 0.00 H new ATOM 0 HG3 LYS T 34 3.914 1.719 13.288 1.00 0.00 H new ATOM 0 HD2 LYS T 34 2.986 -0.384 14.794 1.00 0.00 H new ATOM 0 HD3 LYS T 34 4.185 -1.197 13.808 1.00 0.00 H new ATOM 0 HE2 LYS T 34 5.586 -0.492 15.478 1.00 0.00 H new ATOM 0 HE3 LYS T 34 5.656 0.950 14.486 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 5.231 1.493 16.792 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 3.897 1.933 15.838 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 3.829 0.535 16.799 1.00 0.00 H new ATOM 536 N GLN T 35 -0.241 0.913 10.571 1.00 0.00 N ATOM 537 CA GLN T 35 -1.646 1.119 10.265 1.00 0.00 C ATOM 538 C GLN T 35 -2.174 -0.028 9.418 1.00 0.00 C ATOM 539 O GLN T 35 -3.126 -0.710 9.801 1.00 0.00 O ATOM 540 CB GLN T 35 -1.835 2.448 9.534 1.00 0.00 C ATOM 541 CG GLN T 35 -1.535 3.663 10.396 1.00 0.00 C ATOM 542 CD GLN T 35 -1.788 4.971 9.672 1.00 0.00 C ATOM 543 OE1 GLN T 35 -2.060 4.987 8.471 1.00 0.00 O ATOM 544 NE2 GLN T 35 -1.698 6.078 10.400 1.00 0.00 N ATOM 0 H GLN T 35 0.391 1.581 10.129 1.00 0.00 H new ATOM 0 HA GLN T 35 -2.208 1.149 11.199 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.188 2.466 8.657 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -2.862 2.513 9.174 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -2.149 3.626 11.296 1.00 0.00 H new ATOM 0 HG3 GLN T 35 -0.495 3.626 10.719 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -1.470 6.019 11.392 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -1.857 6.988 9.967 1.00 0.00 H new ATOM 553 N LEU T 36 -1.538 -0.250 8.274 1.00 0.00 N ATOM 554 CA LEU T 36 -1.937 -1.332 7.388 1.00 0.00 C ATOM 555 C LEU T 36 -1.848 -2.658 8.130 1.00 0.00 C ATOM 556 O LEU T 36 -2.489 -3.640 7.759 1.00 0.00 O ATOM 557 CB LEU T 36 -1.052 -1.363 6.140 1.00 0.00 C ATOM 558 CG LEU T 36 -1.681 -2.014 4.905 1.00 0.00 C ATOM 559 CD1 LEU T 36 -1.596 -3.529 5.001 1.00 0.00 C ATOM 560 CD2 LEU T 36 -3.127 -1.570 4.742 1.00 0.00 C ATOM 0 H LEU T 36 -0.748 0.303 7.941 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.966 -1.165 7.070 1.00 0.00 H new ATOM 0 HB2 LEU T 36 -0.773 -0.340 5.888 1.00 0.00 H new ATOM 0 HB3 LEU T 36 -0.132 -1.895 6.381 1.00 0.00 H new ATOM 0 HG LEU T 36 -1.123 -1.692 4.026 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -2.048 -3.976 4.115 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -0.551 -3.831 5.067 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -2.129 -3.868 5.890 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -3.556 -2.044 3.859 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -3.699 -1.861 5.623 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -3.164 -0.487 4.627 1.00 0.00 H new ATOM 572 N GLU T 37 -1.051 -2.666 9.195 1.00 0.00 N ATOM 573 CA GLU T 37 -0.874 -3.854 10.015 1.00 0.00 C ATOM 574 C GLU T 37 -2.140 -4.149 10.801 1.00 0.00 C ATOM 575 O GLU T 37 -2.751 -5.206 10.649 1.00 0.00 O ATOM 576 CB GLU T 37 0.296 -3.659 10.978 1.00 0.00 C ATOM 577 CG GLU T 37 0.637 -4.907 11.773 1.00 0.00 C ATOM 578 CD GLU T 37 1.279 -4.591 13.110 1.00 0.00 C ATOM 579 OE1 GLU T 37 2.448 -4.151 13.119 1.00 0.00 O ATOM 580 OE2 GLU T 37 0.612 -4.783 14.148 1.00 0.00 O ATOM 0 H GLU T 37 -0.516 -1.856 9.509 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.661 -4.698 9.358 1.00 0.00 H new ATOM 0 HB2 GLU T 37 1.174 -3.346 10.413 1.00 0.00 H new ATOM 0 HB3 GLU T 37 0.057 -2.851 11.669 1.00 0.00 H new ATOM 0 HG2 GLU T 37 -0.271 -5.487 11.938 1.00 0.00 H new ATOM 0 HG3 GLU T 37 1.312 -5.532 11.189 1.00 0.00 H new ATOM 587 N ALA T 38 -2.526 -3.201 11.643 1.00 0.00 N ATOM 588 CA ALA T 38 -3.721 -3.346 12.459 1.00 0.00 C ATOM 589 C ALA T 38 -4.939 -3.639 11.593 1.00 0.00 C ATOM 590 O ALA T 38 -5.925 -4.206 12.061 1.00 0.00 O ATOM 591 CB ALA T 38 -3.949 -2.096 13.297 1.00 0.00 C ATOM 0 H ALA T 38 -2.027 -2.322 11.778 1.00 0.00 H new ATOM 0 HA ALA T 38 -3.573 -4.191 13.131 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -4.847 -2.222 13.901 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -3.092 -1.935 13.951 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -4.071 -1.235 12.640 1.00 0.00 H new ATOM 597 N ALA T 39 -4.852 -3.266 10.322 1.00 0.00 N ATOM 598 CA ALA T 39 -5.936 -3.505 9.379 1.00 0.00 C ATOM 599 C ALA T 39 -5.721 -4.840 8.690 1.00 0.00 C ATOM 600 O ALA T 39 -6.667 -5.522 8.303 1.00 0.00 O ATOM 601 CB ALA T 39 -6.006 -2.381 8.359 1.00 0.00 C ATOM 0 H ALA T 39 -4.040 -2.796 9.921 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.883 -3.532 9.918 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.821 -2.573 7.661 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -6.183 -1.435 8.871 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -5.065 -2.327 7.812 1.00 0.00 H new ATOM 607 N ARG T 40 -4.458 -5.209 8.563 1.00 0.00 N ATOM 608 CA ARG T 40 -4.078 -6.463 7.949 1.00 0.00 C ATOM 609 C ARG T 40 -4.480 -7.616 8.852 1.00 0.00 C ATOM 610 O ARG T 40 -4.870 -8.685 8.383 1.00 0.00 O ATOM 611 CB ARG T 40 -2.569 -6.481 7.720 1.00 0.00 C ATOM 612 CG ARG T 40 -2.015 -7.860 7.402 1.00 0.00 C ATOM 613 CD ARG T 40 -1.035 -8.330 8.466 1.00 0.00 C ATOM 614 NE ARG T 40 0.122 -7.447 8.579 1.00 0.00 N ATOM 615 CZ ARG T 40 1.190 -7.724 9.319 1.00 0.00 C ATOM 616 NH1 ARG T 40 1.247 -8.856 10.008 1.00 0.00 N ATOM 617 NH2 ARG T 40 2.203 -6.870 9.372 1.00 0.00 N ATOM 0 H ARG T 40 -3.670 -4.646 8.883 1.00 0.00 H new ATOM 0 HA ARG T 40 -4.587 -6.568 6.991 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.327 -5.804 6.901 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -2.071 -6.095 8.610 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -2.836 -8.573 7.323 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -1.517 -7.838 6.433 1.00 0.00 H new ATOM 0 HD2 ARG T 40 -1.544 -8.384 9.428 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -0.698 -9.339 8.227 1.00 0.00 H new ATOM 0 HE ARG T 40 0.110 -6.568 8.061 1.00 0.00 H new ATOM 0 HH11 ARG T 40 0.470 -9.516 9.970 1.00 0.00 H new ATOM 0 HH12 ARG T 40 2.068 -9.067 10.576 1.00 0.00 H new ATOM 0 HH21 ARG T 40 2.163 -5.998 8.844 1.00 0.00 H new ATOM 0 HH22 ARG T 40 3.022 -7.085 9.941 1.00 0.00 H new ATOM 631 N LYS T 41 -4.381 -7.384 10.157 1.00 0.00 N ATOM 632 CA LYS T 41 -4.732 -8.399 11.134 1.00 0.00 C ATOM 633 C LYS T 41 -6.240 -8.605 11.185 1.00 0.00 C ATOM 634 O LYS T 41 -6.725 -9.581 11.759 1.00 0.00 O ATOM 635 CB LYS T 41 -4.205 -8.015 12.516 1.00 0.00 C ATOM 636 CG LYS T 41 -2.761 -7.547 12.501 1.00 0.00 C ATOM 637 CD LYS T 41 -2.075 -7.807 13.833 1.00 0.00 C ATOM 638 CE LYS T 41 -1.858 -6.518 14.609 1.00 0.00 C ATOM 639 NZ LYS T 41 -3.143 -5.831 14.915 1.00 0.00 N ATOM 0 H LYS T 41 -4.061 -6.503 10.558 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.268 -9.337 10.829 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -4.831 -7.224 12.929 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -4.294 -8.873 13.182 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -2.220 -8.060 11.706 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -2.726 -6.481 12.275 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -2.679 -8.493 14.427 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -1.116 -8.295 13.660 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -1.334 -6.738 15.539 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -1.218 -5.850 14.032 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 -2.961 -4.826 15.112 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 -3.783 -5.913 14.100 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 -3.583 -6.273 15.747 1.00 0.00 H new ATOM 653 N ILE T 42 -6.977 -7.683 10.577 1.00 0.00 N ATOM 654 CA ILE T 42 -8.429 -7.765 10.548 1.00 0.00 C ATOM 655 C ILE T 42 -8.902 -8.383 9.239 1.00 0.00 C ATOM 656 O ILE T 42 -10.049 -8.814 9.121 1.00 0.00 O ATOM 657 CB ILE T 42 -9.072 -6.377 10.714 1.00 0.00 C ATOM 658 CG1 ILE T 42 -8.938 -5.575 9.420 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.430 -5.633 11.875 1.00 0.00 C ATOM 660 CD1 ILE T 42 -10.186 -4.802 9.052 1.00 0.00 C ATOM 0 H ILE T 42 -6.591 -6.870 10.097 1.00 0.00 H new ATOM 0 HA ILE T 42 -8.737 -8.395 11.382 1.00 0.00 H new ATOM 0 HB ILE T 42 -10.132 -6.505 10.933 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -8.106 -4.878 9.519 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -8.689 -6.255 8.605 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -8.895 -4.653 11.981 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.570 -6.202 12.794 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -7.364 -5.510 11.684 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -10.016 -4.258 8.123 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -11.017 -5.495 8.920 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.425 -4.096 9.848 1.00 0.00 H new ATOM 672 N GLY T 43 -8.006 -8.425 8.256 1.00 0.00 N ATOM 673 CA GLY T 43 -8.348 -8.995 6.968 1.00 0.00 C ATOM 674 C GLY T 43 -7.811 -8.174 5.811 1.00 0.00 C ATOM 675 O GLY T 43 -8.154 -8.428 4.657 1.00 0.00 O ATOM 0 H GLY T 43 -7.051 -8.074 8.330 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -7.952 -10.008 6.906 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -9.432 -9.071 6.884 1.00 0.00 H new ATOM 679 N PHE T 44 -6.967 -7.188 6.110 1.00 0.00 N ATOM 680 CA PHE T 44 -6.395 -6.344 5.070 1.00 0.00 C ATOM 681 C PHE T 44 -5.292 -7.083 4.317 1.00 0.00 C ATOM 682 O PHE T 44 -4.126 -7.041 4.707 1.00 0.00 O ATOM 683 CB PHE T 44 -5.841 -5.059 5.679 1.00 0.00 C ATOM 684 CG PHE T 44 -5.875 -3.883 4.743 1.00 0.00 C ATOM 685 CD1 PHE T 44 -5.393 -3.995 3.450 1.00 0.00 C ATOM 686 CD2 PHE T 44 -6.395 -2.668 5.157 1.00 0.00 C ATOM 687 CE1 PHE T 44 -5.428 -2.915 2.586 1.00 0.00 C ATOM 688 CE2 PHE T 44 -6.433 -1.586 4.299 1.00 0.00 C ATOM 689 CZ PHE T 44 -5.948 -1.710 3.012 1.00 0.00 C ATOM 0 H PHE T 44 -6.668 -6.957 7.057 1.00 0.00 H new ATOM 0 HA PHE T 44 -7.185 -6.091 4.363 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -6.413 -4.816 6.575 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -4.812 -5.231 5.995 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -4.985 -4.936 3.112 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -6.775 -2.565 6.163 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -5.049 -3.015 1.580 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -6.842 -0.644 4.634 1.00 0.00 H new ATOM 0 HZ PHE T 44 -5.976 -0.865 2.340 1.00 0.00 H new ATOM 699 N HIS T 45 -5.672 -7.759 3.237 1.00 0.00 N ATOM 700 CA HIS T 45 -4.717 -8.509 2.428 1.00 0.00 C ATOM 701 C HIS T 45 -4.749 -8.041 0.977 1.00 0.00 C ATOM 702 O HIS T 45 -5.813 -7.965 0.362 1.00 0.00 O ATOM 703 CB HIS T 45 -5.027 -10.007 2.499 1.00 0.00 C ATOM 704 CG HIS T 45 -4.052 -10.872 1.760 1.00 0.00 C ATOM 705 ND1 HIS T 45 -3.290 -10.620 0.668 1.00 0.00 N flip ATOM 706 CD2 HIS T 45 -3.773 -12.172 2.125 1.00 0.00 C flip ATOM 707 CE1 HIS T 45 -2.575 -11.760 0.398 1.00 0.00 C flip ATOM 708 NE2 HIS T 45 -2.883 -12.681 1.291 1.00 0.00 N flip ATOM 0 H HIS T 45 -6.634 -7.803 2.902 1.00 0.00 H new ATOM 0 HA HIS T 45 -3.719 -8.330 2.827 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.047 -10.313 3.545 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.025 -10.179 2.097 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -4.213 -12.693 2.962 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -1.874 -11.883 -0.414 1.00 0.00 H new ATOM 0 HE2 HIS T 45 -2.499 -13.625 1.331 1.00 0.00 H new ATOM 717 N VAL T 46 -3.575 -7.733 0.432 1.00 0.00 N ATOM 718 CA VAL T 46 -3.473 -7.279 -0.950 1.00 0.00 C ATOM 719 C VAL T 46 -2.125 -7.654 -1.558 1.00 0.00 C ATOM 720 O VAL T 46 -1.126 -6.967 -1.349 1.00 0.00 O ATOM 721 CB VAL T 46 -3.665 -5.753 -1.069 1.00 0.00 C ATOM 722 CG1 VAL T 46 -4.770 -5.434 -2.062 1.00 0.00 C ATOM 723 CG2 VAL T 46 -3.970 -5.133 0.287 1.00 0.00 C ATOM 0 H VAL T 46 -2.684 -7.790 0.925 1.00 0.00 H new ATOM 0 HA VAL T 46 -4.272 -7.780 -1.497 1.00 0.00 H new ATOM 0 HB VAL T 46 -2.733 -5.321 -1.434 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -4.893 -4.353 -2.135 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -4.507 -5.836 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -5.704 -5.884 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -4.101 -4.057 0.174 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -4.884 -5.569 0.689 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -3.144 -5.328 0.971 1.00 0.00 H new ATOM 733 N CYS T 47 -2.107 -8.747 -2.317 1.00 0.00 N ATOM 734 CA CYS T 47 -0.884 -9.211 -2.962 1.00 0.00 C ATOM 735 C CYS T 47 -0.422 -8.217 -4.023 1.00 0.00 C ATOM 736 O CYS T 47 -0.669 -8.404 -5.214 1.00 0.00 O ATOM 737 CB CYS T 47 -1.107 -10.587 -3.594 1.00 0.00 C ATOM 738 SG CYS T 47 0.427 -11.519 -3.904 1.00 0.00 S ATOM 0 H CYS T 47 -2.926 -9.327 -2.500 1.00 0.00 H new ATOM 0 HA CYS T 47 -0.107 -9.292 -2.202 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -1.751 -11.175 -2.941 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -1.639 -10.460 -4.537 1.00 0.00 H new ATOM 743 N ALA T 48 0.245 -7.158 -3.577 1.00 0.00 N ATOM 744 CA ALA T 48 0.742 -6.123 -4.477 1.00 0.00 C ATOM 745 C ALA T 48 1.415 -5.005 -3.692 1.00 0.00 C ATOM 746 O ALA T 48 0.903 -4.562 -2.664 1.00 0.00 O ATOM 747 CB ALA T 48 -0.396 -5.566 -5.320 1.00 0.00 C ATOM 0 H ALA T 48 0.455 -6.993 -2.593 1.00 0.00 H new ATOM 0 HA ALA T 48 1.483 -6.571 -5.140 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.011 -4.795 -5.987 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -0.838 -6.369 -5.910 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.155 -5.135 -4.667 1.00 0.00 H new ATOM 753 N ALA T 49 2.564 -4.552 -4.179 1.00 0.00 N ATOM 754 CA ALA T 49 3.300 -3.484 -3.517 1.00 0.00 C ATOM 755 C ALA T 49 2.414 -2.261 -3.308 1.00 0.00 C ATOM 756 O ALA T 49 2.010 -1.606 -4.266 1.00 0.00 O ATOM 757 CB ALA T 49 4.534 -3.114 -4.325 1.00 0.00 C ATOM 0 H ALA T 49 3.005 -4.907 -5.028 1.00 0.00 H new ATOM 0 HA ALA T 49 3.617 -3.844 -2.538 1.00 0.00 H new ATOM 0 HB1 ALA T 49 5.074 -2.314 -3.818 1.00 0.00 H new ATOM 0 HB2 ALA T 49 5.181 -3.986 -4.420 1.00 0.00 H new ATOM 0 HB3 ALA T 49 4.232 -2.776 -5.316 1.00 0.00 H new ATOM 763 N GLY T 50 2.113 -1.959 -2.050 1.00 0.00 N ATOM 764 CA GLY T 50 1.275 -0.815 -1.745 1.00 0.00 C ATOM 765 C GLY T 50 2.044 0.314 -1.091 1.00 0.00 C ATOM 766 O GLY T 50 2.607 0.146 -0.009 1.00 0.00 O ATOM 0 H GLY T 50 2.434 -2.485 -1.237 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.815 -0.451 -2.664 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.466 -1.128 -1.085 1.00 0.00 H new ATOM 770 N TRP T 51 2.072 1.466 -1.752 1.00 0.00 N ATOM 771 CA TRP T 51 2.784 2.628 -1.233 1.00 0.00 C ATOM 772 C TRP T 51 2.365 2.945 0.197 1.00 0.00 C ATOM 773 O TRP T 51 1.231 2.682 0.599 1.00 0.00 O ATOM 774 CB TRP T 51 2.544 3.840 -2.130 1.00 0.00 C ATOM 775 CG TRP T 51 3.392 3.828 -3.359 1.00 0.00 C ATOM 776 CD1 TRP T 51 2.988 3.557 -4.633 1.00 0.00 C ATOM 777 CD2 TRP T 51 4.797 4.087 -3.426 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.060 3.633 -5.492 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.182 3.959 -4.773 1.00 0.00 C ATOM 780 CE3 TRP T 51 5.766 4.418 -2.474 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.497 4.148 -5.191 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.069 4.606 -2.889 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.425 4.472 -4.238 1.00 0.00 C ATOM 0 H TRP T 51 1.610 1.620 -2.648 1.00 0.00 H new ATOM 0 HA TRP T 51 3.848 2.391 -1.228 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.494 3.870 -2.419 1.00 0.00 H new ATOM 0 HB3 TRP T 51 2.745 4.750 -1.565 1.00 0.00 H new ATOM 0 HD1 TRP T 51 1.976 3.318 -4.925 1.00 0.00 H new ATOM 0 HE1 TRP T 51 4.026 3.473 -6.499 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.500 4.525 -1.433 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 6.775 4.043 -6.229 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 7.826 4.860 -2.162 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.453 4.628 -4.532 1.00 0.00 H new ATOM 794 N MET T 52 3.294 3.512 0.959 1.00 0.00 N ATOM 795 CA MET T 52 3.036 3.870 2.347 1.00 0.00 C ATOM 796 C MET T 52 4.172 4.721 2.905 1.00 0.00 C ATOM 797 O MET T 52 5.175 4.955 2.230 1.00 0.00 O ATOM 798 CB MET T 52 2.864 2.611 3.201 1.00 0.00 C ATOM 799 CG MET T 52 3.556 1.383 2.633 1.00 0.00 C ATOM 800 SD MET T 52 3.000 -0.150 3.403 1.00 0.00 S ATOM 801 CE MET T 52 4.569 -0.929 3.776 1.00 0.00 C ATOM 0 H MET T 52 4.236 3.734 0.636 1.00 0.00 H new ATOM 0 HA MET T 52 2.114 4.451 2.380 1.00 0.00 H new ATOM 0 HB2 MET T 52 3.253 2.806 4.200 1.00 0.00 H new ATOM 0 HB3 MET T 52 1.800 2.399 3.309 1.00 0.00 H new ATOM 0 HG2 MET T 52 3.373 1.332 1.560 1.00 0.00 H new ATOM 0 HG3 MET T 52 4.633 1.483 2.769 1.00 0.00 H new ATOM 0 HE1 MET T 52 4.463 -2.012 3.708 1.00 0.00 H new ATOM 0 HE2 MET T 52 5.321 -0.593 3.062 1.00 0.00 H new ATOM 0 HE3 MET T 52 4.879 -0.657 4.785 1.00 0.00 H new ATOM 811 N ALA T 53 4.010 5.175 4.142 1.00 0.00 N ATOM 812 CA ALA T 53 5.022 5.993 4.797 1.00 0.00 C ATOM 813 C ALA T 53 5.445 7.169 3.924 1.00 0.00 C ATOM 814 O ALA T 53 4.776 7.509 2.948 1.00 0.00 O ATOM 815 CB ALA T 53 6.225 5.139 5.156 1.00 0.00 C ATOM 0 H ALA T 53 3.185 4.990 4.712 1.00 0.00 H new ATOM 0 HA ALA T 53 4.587 6.402 5.709 1.00 0.00 H new ATOM 0 HB1 ALA T 53 6.977 5.758 5.645 1.00 0.00 H new ATOM 0 HB2 ALA T 53 5.916 4.341 5.831 1.00 0.00 H new ATOM 0 HB3 ALA T 53 6.646 4.704 4.249 1.00 0.00 H new ATOM 821 N LYS T 54 6.559 7.789 4.293 1.00 0.00 N ATOM 822 CA LYS T 54 7.084 8.937 3.561 1.00 0.00 C ATOM 823 C LYS T 54 7.473 8.561 2.133 1.00 0.00 C ATOM 824 O LYS T 54 7.783 9.431 1.320 1.00 0.00 O ATOM 825 CB LYS T 54 8.295 9.519 4.290 1.00 0.00 C ATOM 826 CG LYS T 54 8.111 10.963 4.729 1.00 0.00 C ATOM 827 CD LYS T 54 8.958 11.293 5.947 1.00 0.00 C ATOM 828 CE LYS T 54 8.105 11.412 7.199 1.00 0.00 C ATOM 829 NZ LYS T 54 7.115 12.520 7.097 1.00 0.00 N ATOM 0 H LYS T 54 7.120 7.515 5.100 1.00 0.00 H new ATOM 0 HA LYS T 54 6.294 9.687 3.511 1.00 0.00 H new ATOM 0 HB2 LYS T 54 8.509 8.907 5.166 1.00 0.00 H new ATOM 0 HB3 LYS T 54 9.166 9.456 3.637 1.00 0.00 H new ATOM 0 HG2 LYS T 54 8.378 11.629 3.909 1.00 0.00 H new ATOM 0 HG3 LYS T 54 7.060 11.143 4.957 1.00 0.00 H new ATOM 0 HD2 LYS T 54 9.711 10.517 6.090 1.00 0.00 H new ATOM 0 HD3 LYS T 54 9.492 12.228 5.778 1.00 0.00 H new ATOM 0 HE2 LYS T 54 7.581 10.472 7.371 1.00 0.00 H new ATOM 0 HE3 LYS T 54 8.749 11.580 8.062 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 6.913 12.893 8.046 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 7.504 13.279 6.502 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 6.236 12.162 6.671 1.00 0.00 H new ATOM 843 N GLY T 55 7.458 7.267 1.831 1.00 0.00 N ATOM 844 CA GLY T 55 7.815 6.820 0.498 1.00 0.00 C ATOM 845 C GLY T 55 8.208 5.357 0.475 1.00 0.00 C ATOM 846 O GLY T 55 8.850 4.897 -0.469 1.00 0.00 O ATOM 0 H GLY T 55 7.206 6.523 2.482 1.00 0.00 H new ATOM 0 HA2 GLY T 55 6.973 6.980 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.642 7.423 0.123 1.00 0.00 H new ATOM 850 N ARG T 56 7.823 4.621 1.512 1.00 0.00 N ATOM 851 CA ARG T 56 8.141 3.202 1.595 1.00 0.00 C ATOM 852 C ARG T 56 6.985 2.360 1.065 1.00 0.00 C ATOM 853 O ARG T 56 5.828 2.582 1.421 1.00 0.00 O ATOM 854 CB ARG T 56 8.465 2.812 3.039 1.00 0.00 C ATOM 855 CG ARG T 56 7.271 2.276 3.812 1.00 0.00 C ATOM 856 CD ARG T 56 7.686 1.760 5.179 1.00 0.00 C ATOM 857 NE ARG T 56 8.155 2.832 6.052 1.00 0.00 N ATOM 858 CZ ARG T 56 8.485 2.653 7.327 1.00 0.00 C ATOM 859 NH1 ARG T 56 8.391 1.449 7.875 1.00 0.00 N ATOM 860 NH2 ARG T 56 8.907 3.678 8.054 1.00 0.00 N ATOM 0 H ARG T 56 7.292 4.983 2.304 1.00 0.00 H new ATOM 0 HA ARG T 56 9.018 3.010 0.977 1.00 0.00 H new ATOM 0 HB2 ARG T 56 9.251 2.057 3.034 1.00 0.00 H new ATOM 0 HB3 ARG T 56 8.862 3.683 3.560 1.00 0.00 H new ATOM 0 HG2 ARG T 56 6.527 3.064 3.929 1.00 0.00 H new ATOM 0 HG3 ARG T 56 6.799 1.473 3.246 1.00 0.00 H new ATOM 0 HD2 ARG T 56 6.841 1.255 5.647 1.00 0.00 H new ATOM 0 HD3 ARG T 56 8.475 1.018 5.061 1.00 0.00 H new ATOM 0 HE ARG T 56 8.234 3.771 5.662 1.00 0.00 H new ATOM 0 HH11 ARG T 56 8.065 0.659 7.318 1.00 0.00 H new ATOM 0 HH12 ARG T 56 8.645 1.313 8.854 1.00 0.00 H new ATOM 0 HH21 ARG T 56 8.979 4.605 7.635 1.00 0.00 H new ATOM 0 HH22 ARG T 56 9.160 3.539 9.032 1.00 0.00 H new ATOM 874 N VAL T 57 7.305 1.396 0.210 1.00 0.00 N ATOM 875 CA VAL T 57 6.292 0.523 -0.370 1.00 0.00 C ATOM 876 C VAL T 57 6.578 -0.939 -0.041 1.00 0.00 C ATOM 877 O VAL T 57 7.638 -1.466 -0.379 1.00 0.00 O ATOM 878 CB VAL T 57 6.210 0.698 -1.902 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.521 1.242 -2.448 1.00 0.00 C ATOM 880 CG2 VAL T 57 5.846 -0.615 -2.579 1.00 0.00 C ATOM 0 H VAL T 57 8.258 1.199 -0.097 1.00 0.00 H new ATOM 0 HA VAL T 57 5.335 0.807 0.067 1.00 0.00 H new ATOM 0 HB VAL T 57 5.422 1.419 -2.121 1.00 0.00 H new ATOM 0 HG11 VAL T 57 7.444 1.359 -3.529 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.731 2.210 -1.993 1.00 0.00 H new ATOM 0 HG13 VAL T 57 8.328 0.548 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL T 57 5.794 -0.466 -3.658 1.00 0.00 H new ATOM 0 HG22 VAL T 57 6.605 -1.364 -2.352 1.00 0.00 H new ATOM 0 HG23 VAL T 57 4.878 -0.957 -2.213 1.00 0.00 H new ATOM 890 N GLY T 58 5.627 -1.586 0.625 1.00 0.00 N ATOM 891 CA GLY T 58 5.795 -2.980 0.992 1.00 0.00 C ATOM 892 C GLY T 58 4.769 -3.879 0.332 1.00 0.00 C ATOM 893 O GLY T 58 4.050 -3.451 -0.571 1.00 0.00 O ATOM 0 H GLY T 58 4.743 -1.170 0.917 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.796 -3.309 0.712 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.718 -3.080 2.075 1.00 0.00 H new ATOM 897 N TYR T 59 4.701 -5.128 0.782 1.00 0.00 N ATOM 898 CA TYR T 59 3.754 -6.089 0.228 1.00 0.00 C ATOM 899 C TYR T 59 3.038 -6.849 1.340 1.00 0.00 C ATOM 900 O TYR T 59 3.356 -8.004 1.624 1.00 0.00 O ATOM 901 CB TYR T 59 4.471 -7.072 -0.701 1.00 0.00 C ATOM 902 CG TYR T 59 5.783 -6.542 -1.237 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.810 -5.496 -2.152 1.00 0.00 C ATOM 904 CD2 TYR T 59 6.993 -7.087 -0.828 1.00 0.00 C ATOM 905 CE1 TYR T 59 7.006 -5.010 -2.644 1.00 0.00 C ATOM 906 CE2 TYR T 59 8.194 -6.605 -1.315 1.00 0.00 C ATOM 907 CZ TYR T 59 8.195 -5.567 -2.222 1.00 0.00 C ATOM 908 OH TYR T 59 9.388 -5.085 -2.709 1.00 0.00 O ATOM 0 H TYR T 59 5.290 -5.498 1.528 1.00 0.00 H new ATOM 0 HA TYR T 59 3.011 -5.537 -0.347 1.00 0.00 H new ATOM 0 HB2 TYR T 59 4.656 -8.001 -0.162 1.00 0.00 H new ATOM 0 HB3 TYR T 59 3.816 -7.314 -1.538 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.881 -5.056 -2.484 1.00 0.00 H new ATOM 0 HD2 TYR T 59 6.996 -7.901 -0.118 1.00 0.00 H new ATOM 0 HE1 TYR T 59 7.010 -4.198 -3.356 1.00 0.00 H new ATOM 0 HE2 TYR T 59 9.127 -7.040 -0.986 1.00 0.00 H new ATOM 0 HH TYR T 59 10.130 -5.586 -2.310 1.00 0.00 H new ATOM 918 N PRO T 60 2.056 -6.201 1.986 1.00 0.00 N ATOM 919 CA PRO T 60 1.285 -6.810 3.077 1.00 0.00 C ATOM 920 C PRO T 60 0.556 -8.075 2.637 1.00 0.00 C ATOM 921 O PRO T 60 -0.248 -8.047 1.705 1.00 0.00 O ATOM 922 CB PRO T 60 0.275 -5.723 3.461 1.00 0.00 C ATOM 923 CG PRO T 60 0.831 -4.452 2.922 1.00 0.00 C ATOM 924 CD PRO T 60 1.626 -4.822 1.704 1.00 0.00 C ATOM 0 HA PRO T 60 1.929 -7.120 3.900 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -0.707 -5.933 3.036 1.00 0.00 H new ATOM 0 HB3 PRO T 60 0.150 -5.669 4.542 1.00 0.00 H new ATOM 0 HG2 PRO T 60 0.032 -3.755 2.668 1.00 0.00 H new ATOM 0 HG3 PRO T 60 1.461 -3.959 3.662 1.00 0.00 H new ATOM 0 HD2 PRO T 60 1.023 -4.766 0.798 1.00 0.00 H new ATOM 0 HD3 PRO T 60 2.477 -4.156 1.562 1.00 0.00 H new ATOM 932 N ILE T 61 0.841 -9.182 3.315 1.00 0.00 N ATOM 933 CA ILE T 61 0.211 -10.458 2.998 1.00 0.00 C ATOM 934 C ILE T 61 -0.137 -11.226 4.269 1.00 0.00 C ATOM 935 O ILE T 61 0.749 -11.693 4.985 1.00 0.00 O ATOM 936 CB ILE T 61 1.123 -11.334 2.117 1.00 0.00 C ATOM 937 CG1 ILE T 61 1.570 -10.559 0.876 1.00 0.00 C ATOM 938 CG2 ILE T 61 0.405 -12.615 1.718 1.00 0.00 C ATOM 939 CD1 ILE T 61 0.467 -10.352 -0.140 1.00 0.00 C ATOM 0 H ILE T 61 1.505 -9.221 4.088 1.00 0.00 H new ATOM 0 HA ILE T 61 -0.703 -10.232 2.448 1.00 0.00 H new ATOM 0 HB ILE T 61 2.009 -11.602 2.693 1.00 0.00 H new ATOM 0 HG12 ILE T 61 1.955 -9.587 1.184 1.00 0.00 H new ATOM 0 HG13 ILE T 61 2.394 -11.093 0.402 1.00 0.00 H new ATOM 0 HG21 ILE T 61 1.063 -13.222 1.096 1.00 0.00 H new ATOM 0 HG22 ILE T 61 0.134 -13.174 2.613 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -0.497 -12.367 1.158 1.00 0.00 H new ATOM 0 HD11 ILE T 61 0.857 -9.796 -0.992 1.00 0.00 H new ATOM 0 HD12 ILE T 61 0.097 -11.320 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -0.348 -9.791 0.317 1.00 0.00 H new ATOM 951 N VAL T 62 -1.431 -11.351 4.546 1.00 0.00 N ATOM 952 CA VAL T 62 -1.893 -12.063 5.733 1.00 0.00 C ATOM 953 C VAL T 62 -2.082 -13.547 5.443 1.00 0.00 C ATOM 954 O VAL T 62 -2.200 -14.360 6.360 1.00 0.00 O ATOM 955 CB VAL T 62 -3.219 -11.481 6.261 1.00 0.00 C ATOM 956 CG1 VAL T 62 -3.144 -11.265 7.765 1.00 0.00 C ATOM 957 CG2 VAL T 62 -3.562 -10.185 5.544 1.00 0.00 C ATOM 0 H VAL T 62 -2.178 -10.969 3.966 1.00 0.00 H new ATOM 0 HA VAL T 62 -1.124 -11.938 6.495 1.00 0.00 H new ATOM 0 HB VAL T 62 -4.014 -12.198 6.058 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -4.089 -10.854 8.121 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -2.953 -12.217 8.260 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -2.336 -10.569 7.993 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -4.502 -9.792 5.932 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -2.768 -9.457 5.709 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -3.663 -10.376 4.476 1.00 0.00 H new ATOM 967 N LYS T 63 -2.109 -13.894 4.161 1.00 0.00 N ATOM 968 CA LYS T 63 -2.282 -15.281 3.746 1.00 0.00 C ATOM 969 C LYS T 63 -1.170 -15.702 2.790 1.00 0.00 C ATOM 970 O LYS T 63 -1.229 -15.424 1.593 1.00 0.00 O ATOM 971 CB LYS T 63 -3.646 -15.467 3.077 1.00 0.00 C ATOM 972 CG LYS T 63 -4.118 -16.912 3.040 1.00 0.00 C ATOM 973 CD LYS T 63 -5.573 -17.008 2.608 1.00 0.00 C ATOM 974 CE LYS T 63 -5.903 -18.376 2.034 1.00 0.00 C ATOM 975 NZ LYS T 63 -5.948 -19.430 3.085 1.00 0.00 N ATOM 0 H LYS T 63 -2.013 -13.233 3.390 1.00 0.00 H new ATOM 0 HA LYS T 63 -2.232 -15.912 4.633 1.00 0.00 H new ATOM 0 HB2 LYS T 63 -4.385 -14.866 3.607 1.00 0.00 H new ATOM 0 HB3 LYS T 63 -3.596 -15.084 2.058 1.00 0.00 H new ATOM 0 HG2 LYS T 63 -3.494 -17.483 2.352 1.00 0.00 H new ATOM 0 HG3 LYS T 63 -3.999 -17.361 4.026 1.00 0.00 H new ATOM 0 HD2 LYS T 63 -6.220 -16.807 3.462 1.00 0.00 H new ATOM 0 HD3 LYS T 63 -5.782 -16.241 1.862 1.00 0.00 H new ATOM 0 HE2 LYS T 63 -6.866 -18.332 1.524 1.00 0.00 H new ATOM 0 HE3 LYS T 63 -5.158 -18.643 1.285 1.00 0.00 H new ATOM 0 HZ1 LYS T 63 -6.176 -20.346 2.649 1.00 0.00 H new ATOM 0 HZ2 LYS T 63 -5.022 -19.491 3.555 1.00 0.00 H new ATOM 0 HZ3 LYS T 63 -6.677 -19.190 3.787 1.00 0.00 H new ATOM 989 N PRO T 64 -0.137 -16.382 3.314 1.00 0.00 N ATOM 990 CA PRO T 64 0.996 -16.843 2.505 1.00 0.00 C ATOM 991 C PRO T 64 0.549 -17.566 1.239 1.00 0.00 C ATOM 992 O PRO T 64 0.095 -18.709 1.291 1.00 0.00 O ATOM 993 CB PRO T 64 1.726 -17.805 3.440 1.00 0.00 C ATOM 994 CG PRO T 64 1.385 -17.345 4.814 1.00 0.00 C ATOM 995 CD PRO T 64 0.004 -16.750 4.737 1.00 0.00 C ATOM 0 HA PRO T 64 1.612 -16.015 2.155 1.00 0.00 H new ATOM 0 HB2 PRO T 64 1.404 -18.833 3.277 1.00 0.00 H new ATOM 0 HB3 PRO T 64 2.803 -17.778 3.271 1.00 0.00 H new ATOM 0 HG2 PRO T 64 1.410 -18.176 5.519 1.00 0.00 H new ATOM 0 HG3 PRO T 64 2.106 -16.607 5.166 1.00 0.00 H new ATOM 0 HD2 PRO T 64 -0.759 -17.466 5.043 1.00 0.00 H new ATOM 0 HD3 PRO T 64 -0.095 -15.881 5.388 1.00 0.00 H new ATOM 1003 N GLY T 65 0.680 -16.890 0.102 1.00 0.00 N ATOM 1004 CA GLY T 65 0.286 -17.481 -1.163 1.00 0.00 C ATOM 1005 C GLY T 65 1.278 -18.518 -1.651 1.00 0.00 C ATOM 1006 O GLY T 65 2.422 -18.550 -1.197 1.00 0.00 O ATOM 0 H GLY T 65 1.052 -15.943 0.035 1.00 0.00 H new ATOM 0 HA2 GLY T 65 -0.695 -17.944 -1.055 1.00 0.00 H new ATOM 0 HA3 GLY T 65 0.187 -16.696 -1.913 1.00 0.00 H new ATOM 1010 N PRO T 66 0.863 -19.385 -2.586 1.00 0.00 N ATOM 1011 CA PRO T 66 1.723 -20.429 -3.139 1.00 0.00 C ATOM 1012 C PRO T 66 2.632 -19.895 -4.238 1.00 0.00 C ATOM 1013 O PRO T 66 3.802 -20.267 -4.330 1.00 0.00 O ATOM 1014 CB PRO T 66 0.714 -21.415 -3.715 1.00 0.00 C ATOM 1015 CG PRO T 66 -0.426 -20.562 -4.153 1.00 0.00 C ATOM 1016 CD PRO T 66 -0.487 -19.411 -3.182 1.00 0.00 C ATOM 0 HA PRO T 66 2.396 -20.859 -2.397 1.00 0.00 H new ATOM 0 HB2 PRO T 66 1.136 -21.974 -4.550 1.00 0.00 H new ATOM 0 HB3 PRO T 66 0.401 -22.145 -2.969 1.00 0.00 H new ATOM 0 HG2 PRO T 66 -0.276 -20.204 -5.172 1.00 0.00 H new ATOM 0 HG3 PRO T 66 -1.359 -21.126 -4.147 1.00 0.00 H new ATOM 0 HD2 PRO T 66 -0.720 -18.473 -3.686 1.00 0.00 H new ATOM 0 HD3 PRO T 66 -1.256 -19.566 -2.425 1.00 0.00 H new ATOM 1024 N ASN T 67 2.079 -19.019 -5.069 1.00 0.00 N ATOM 1025 CA ASN T 67 2.831 -18.426 -6.168 1.00 0.00 C ATOM 1026 C ASN T 67 2.904 -16.910 -6.019 1.00 0.00 C ATOM 1027 O ASN T 67 3.796 -16.264 -6.570 1.00 0.00 O ATOM 1028 CB ASN T 67 2.187 -18.787 -7.507 1.00 0.00 C ATOM 1029 CG ASN T 67 0.736 -19.204 -7.360 1.00 0.00 C ATOM 1030 OD1 ASN T 67 -0.080 -18.319 -6.800 1.00 0.00 O flip ATOM 1031 ND2 ASN T 67 0.354 -20.309 -7.745 1.00 0.00 N flip ATOM 0 H ASN T 67 1.111 -18.704 -5.002 1.00 0.00 H new ATOM 0 HA ASN T 67 3.844 -18.826 -6.141 1.00 0.00 H new ATOM 0 HB2 ASN T 67 2.249 -17.931 -8.179 1.00 0.00 H new ATOM 0 HB3 ASN T 67 2.750 -19.598 -7.970 1.00 0.00 H new ATOM 0 HD21 ASN T 67 1.016 -20.958 -8.170 1.00 0.00 H new ATOM 0 HD22 ASN T 67 -0.625 -20.576 -7.639 1.00 0.00 H new ATOM 1038 N CYS T 68 1.960 -16.347 -5.272 1.00 0.00 N ATOM 1039 CA CYS T 68 1.917 -14.906 -5.051 1.00 0.00 C ATOM 1040 C CYS T 68 3.063 -14.458 -4.150 1.00 0.00 C ATOM 1041 O CYS T 68 4.106 -14.013 -4.629 1.00 0.00 O ATOM 1042 CB CYS T 68 0.577 -14.503 -4.433 1.00 0.00 C ATOM 1043 SG CYS T 68 -0.156 -13.002 -5.162 1.00 0.00 S ATOM 0 H CYS T 68 1.214 -16.867 -4.809 1.00 0.00 H new ATOM 0 HA CYS T 68 2.026 -14.413 -6.017 1.00 0.00 H new ATOM 0 HB2 CYS T 68 -0.126 -15.329 -4.545 1.00 0.00 H new ATOM 0 HB3 CYS T 68 0.715 -14.345 -3.363 1.00 0.00 H new ATOM 1048 N GLY T 69 2.861 -14.579 -2.843 1.00 0.00 N ATOM 1049 CA GLY T 69 3.885 -14.182 -1.893 1.00 0.00 C ATOM 1050 C GLY T 69 4.890 -15.290 -1.649 1.00 0.00 C ATOM 1051 O GLY T 69 5.847 -15.115 -0.895 1.00 0.00 O ATOM 0 H GLY T 69 2.006 -14.945 -2.423 1.00 0.00 H new ATOM 0 HA2 GLY T 69 4.403 -13.298 -2.266 1.00 0.00 H new ATOM 0 HA3 GLY T 69 3.416 -13.903 -0.949 1.00 0.00 H new ATOM 1055 N PHE T 70 4.671 -16.435 -2.289 1.00 0.00 N ATOM 1056 CA PHE T 70 5.563 -17.581 -2.141 1.00 0.00 C ATOM 1057 C PHE T 70 5.542 -18.113 -0.711 1.00 0.00 C ATOM 1058 O PHE T 70 6.261 -19.055 -0.380 1.00 0.00 O ATOM 1059 CB PHE T 70 6.992 -17.199 -2.535 1.00 0.00 C ATOM 1060 CG PHE T 70 7.678 -18.222 -3.394 1.00 0.00 C ATOM 1061 CD1 PHE T 70 7.247 -18.459 -4.690 1.00 0.00 C ATOM 1062 CD2 PHE T 70 8.754 -18.946 -2.907 1.00 0.00 C ATOM 1063 CE1 PHE T 70 7.876 -19.399 -5.483 1.00 0.00 C ATOM 1064 CE2 PHE T 70 9.387 -19.888 -3.695 1.00 0.00 C ATOM 1065 CZ PHE T 70 8.948 -20.115 -4.985 1.00 0.00 C ATOM 0 H PHE T 70 3.882 -16.594 -2.916 1.00 0.00 H new ATOM 0 HA PHE T 70 5.208 -18.369 -2.805 1.00 0.00 H new ATOM 0 HB2 PHE T 70 6.970 -16.248 -3.066 1.00 0.00 H new ATOM 0 HB3 PHE T 70 7.580 -17.045 -1.630 1.00 0.00 H new ATOM 0 HD1 PHE T 70 6.410 -17.902 -5.084 1.00 0.00 H new ATOM 0 HD2 PHE T 70 9.102 -18.772 -1.900 1.00 0.00 H new ATOM 0 HE1 PHE T 70 7.530 -19.574 -6.491 1.00 0.00 H new ATOM 0 HE2 PHE T 70 10.224 -20.446 -3.303 1.00 0.00 H new ATOM 0 HZ PHE T 70 9.442 -20.850 -5.603 1.00 0.00 H new ATOM 1075 N GLY T 71 4.711 -17.507 0.131 1.00 0.00 N ATOM 1076 CA GLY T 71 4.612 -17.940 1.513 1.00 0.00 C ATOM 1077 C GLY T 71 5.191 -16.914 2.468 1.00 0.00 C ATOM 1078 O GLY T 71 5.924 -17.264 3.393 1.00 0.00 O ATOM 0 H GLY T 71 4.105 -16.725 -0.118 1.00 0.00 H new ATOM 0 HA2 GLY T 71 3.567 -18.120 1.763 1.00 0.00 H new ATOM 0 HA3 GLY T 71 5.137 -18.887 1.635 1.00 0.00 H new ATOM 1082 N LYS T 72 4.860 -15.646 2.247 1.00 0.00 N ATOM 1083 CA LYS T 72 5.352 -14.570 3.100 1.00 0.00 C ATOM 1084 C LYS T 72 4.433 -14.368 4.300 1.00 0.00 C ATOM 1085 O LYS T 72 3.259 -14.735 4.264 1.00 0.00 O ATOM 1086 CB LYS T 72 5.463 -13.268 2.304 1.00 0.00 C ATOM 1087 CG LYS T 72 6.593 -13.275 1.288 1.00 0.00 C ATOM 1088 CD LYS T 72 7.833 -12.581 1.828 1.00 0.00 C ATOM 1089 CE LYS T 72 9.026 -12.769 0.903 1.00 0.00 C ATOM 1090 NZ LYS T 72 9.984 -13.777 1.435 1.00 0.00 N ATOM 0 H LYS T 72 4.254 -15.339 1.486 1.00 0.00 H new ATOM 0 HA LYS T 72 6.341 -14.850 3.463 1.00 0.00 H new ATOM 0 HB2 LYS T 72 4.521 -13.086 1.787 1.00 0.00 H new ATOM 0 HB3 LYS T 72 5.612 -12.439 2.996 1.00 0.00 H new ATOM 0 HG2 LYS T 72 6.837 -14.303 1.021 1.00 0.00 H new ATOM 0 HG3 LYS T 72 6.265 -12.778 0.375 1.00 0.00 H new ATOM 0 HD2 LYS T 72 7.631 -11.517 1.951 1.00 0.00 H new ATOM 0 HD3 LYS T 72 8.071 -12.976 2.815 1.00 0.00 H new ATOM 0 HE2 LYS T 72 8.677 -13.083 -0.081 1.00 0.00 H new ATOM 0 HE3 LYS T 72 9.537 -11.816 0.771 1.00 0.00 H new ATOM 0 HZ1 LYS T 72 10.783 -13.877 0.777 1.00 0.00 H new ATOM 0 HZ2 LYS T 72 10.336 -13.466 2.363 1.00 0.00 H new ATOM 0 HZ3 LYS T 72 9.503 -14.693 1.537 1.00 0.00 H new ATOM 1104 N THR T 73 4.976 -13.784 5.363 1.00 0.00 N ATOM 1105 CA THR T 73 4.206 -13.535 6.574 1.00 0.00 C ATOM 1106 C THR T 73 4.181 -12.049 6.914 1.00 0.00 C ATOM 1107 O THR T 73 5.221 -11.391 6.939 1.00 0.00 O ATOM 1108 CB THR T 73 4.779 -14.314 7.770 1.00 0.00 C ATOM 1109 OG1 THR T 73 6.150 -14.651 7.526 1.00 0.00 O ATOM 1110 CG2 THR T 73 3.978 -15.581 8.023 1.00 0.00 C ATOM 0 H THR T 73 5.947 -13.475 5.409 1.00 0.00 H new ATOM 0 HA THR T 73 3.189 -13.877 6.380 1.00 0.00 H new ATOM 0 HB THR T 73 4.714 -13.679 8.653 1.00 0.00 H new ATOM 0 HG1 THR T 73 6.507 -15.145 8.293 1.00 0.00 H new ATOM 0 HG21 THR T 73 4.402 -16.116 8.873 1.00 0.00 H new ATOM 0 HG22 THR T 73 2.942 -15.320 8.238 1.00 0.00 H new ATOM 0 HG23 THR T 73 4.015 -16.218 7.139 1.00 0.00 H new ATOM 1118 N GLY T 74 2.987 -11.526 7.173 1.00 0.00 N ATOM 1119 CA GLY T 74 2.850 -10.121 7.506 1.00 0.00 C ATOM 1120 C GLY T 74 3.236 -9.225 6.346 1.00 0.00 C ATOM 1121 O GLY T 74 3.399 -9.694 5.219 1.00 0.00 O ATOM 0 H GLY T 74 2.112 -12.050 7.158 1.00 0.00 H new ATOM 0 HA2 GLY T 74 1.820 -9.915 7.796 1.00 0.00 H new ATOM 0 HA3 GLY T 74 3.476 -9.889 8.368 1.00 0.00 H new ATOM 1125 N ILE T 75 3.382 -7.934 6.620 1.00 0.00 N ATOM 1126 CA ILE T 75 3.752 -6.974 5.587 1.00 0.00 C ATOM 1127 C ILE T 75 5.231 -7.088 5.238 1.00 0.00 C ATOM 1128 O ILE T 75 6.094 -7.012 6.113 1.00 0.00 O ATOM 1129 CB ILE T 75 3.450 -5.528 6.022 1.00 0.00 C ATOM 1130 CG1 ILE T 75 1.975 -5.385 6.401 1.00 0.00 C ATOM 1131 CG2 ILE T 75 3.816 -4.554 4.911 1.00 0.00 C ATOM 1132 CD1 ILE T 75 1.564 -3.966 6.727 1.00 0.00 C ATOM 0 H ILE T 75 3.250 -7.528 7.547 1.00 0.00 H new ATOM 0 HA ILE T 75 3.152 -7.211 4.709 1.00 0.00 H new ATOM 0 HB ILE T 75 4.055 -5.292 6.898 1.00 0.00 H new ATOM 0 HG12 ILE T 75 1.361 -5.752 5.578 1.00 0.00 H new ATOM 0 HG13 ILE T 75 1.767 -6.021 7.262 1.00 0.00 H new ATOM 0 HG21 ILE T 75 3.597 -3.536 5.233 1.00 0.00 H new ATOM 0 HG22 ILE T 75 4.879 -4.642 4.685 1.00 0.00 H new ATOM 0 HG23 ILE T 75 3.235 -4.785 4.018 1.00 0.00 H new ATOM 0 HD11 ILE T 75 0.505 -3.944 6.986 1.00 0.00 H new ATOM 0 HD12 ILE T 75 2.151 -3.602 7.570 1.00 0.00 H new ATOM 0 HD13 ILE T 75 1.739 -3.328 5.860 1.00 0.00 H new ATOM 1144 N ILE T 76 5.515 -7.268 3.954 1.00 0.00 N ATOM 1145 CA ILE T 76 6.890 -7.391 3.486 1.00 0.00 C ATOM 1146 C ILE T 76 7.419 -6.051 2.990 1.00 0.00 C ATOM 1147 O ILE T 76 7.428 -5.779 1.790 1.00 0.00 O ATOM 1148 CB ILE T 76 7.011 -8.432 2.356 1.00 0.00 C ATOM 1149 CG1 ILE T 76 6.176 -9.673 2.681 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.469 -8.811 2.141 1.00 0.00 C ATOM 1151 CD1 ILE T 76 6.323 -10.147 4.110 1.00 0.00 C ATOM 0 H ILE T 76 4.812 -7.332 3.218 1.00 0.00 H new ATOM 0 HA ILE T 76 7.486 -7.723 4.336 1.00 0.00 H new ATOM 0 HB ILE T 76 6.628 -7.992 1.435 1.00 0.00 H new ATOM 0 HG12 ILE T 76 5.126 -9.455 2.486 1.00 0.00 H new ATOM 0 HG13 ILE T 76 6.464 -10.481 2.008 1.00 0.00 H new ATOM 0 HG21 ILE T 76 8.539 -9.547 1.340 1.00 0.00 H new ATOM 0 HG22 ILE T 76 9.039 -7.923 1.869 1.00 0.00 H new ATOM 0 HG23 ILE T 76 8.874 -9.235 3.060 1.00 0.00 H new ATOM 0 HD11 ILE T 76 5.703 -11.029 4.266 1.00 0.00 H new ATOM 0 HD12 ILE T 76 7.366 -10.397 4.305 1.00 0.00 H new ATOM 0 HD13 ILE T 76 6.007 -9.356 4.790 1.00 0.00 H new ATOM 1163 N ASP T 77 7.855 -5.215 3.925 1.00 0.00 N ATOM 1164 CA ASP T 77 8.383 -3.898 3.588 1.00 0.00 C ATOM 1165 C ASP T 77 9.877 -3.815 3.882 1.00 0.00 C ATOM 1166 O ASP T 77 10.334 -4.224 4.949 1.00 0.00 O ATOM 1167 CB ASP T 77 7.637 -2.813 4.367 1.00 0.00 C ATOM 1168 CG ASP T 77 8.385 -1.494 4.389 1.00 0.00 C ATOM 1169 OD1 ASP T 77 8.454 -0.833 3.332 1.00 0.00 O ATOM 1170 OD2 ASP T 77 8.902 -1.122 5.464 1.00 0.00 O ATOM 0 H ASP T 77 7.853 -5.426 4.923 1.00 0.00 H new ATOM 0 HA ASP T 77 8.234 -3.738 2.520 1.00 0.00 H new ATOM 0 HB2 ASP T 77 6.654 -2.662 3.922 1.00 0.00 H new ATOM 0 HB3 ASP T 77 7.475 -3.152 5.390 1.00 0.00 H new ATOM 1175 N TYR T 78 10.632 -3.280 2.928 1.00 0.00 N ATOM 1176 CA TYR T 78 12.075 -3.139 3.082 1.00 0.00 C ATOM 1177 C TYR T 78 12.464 -1.671 3.218 1.00 0.00 C ATOM 1178 O TYR T 78 13.622 -1.346 3.479 1.00 0.00 O ATOM 1179 CB TYR T 78 12.803 -3.762 1.889 1.00 0.00 C ATOM 1180 CG TYR T 78 12.434 -5.206 1.637 1.00 0.00 C ATOM 1181 CD1 TYR T 78 11.196 -5.544 1.104 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.323 -6.232 1.933 1.00 0.00 C ATOM 1183 CE1 TYR T 78 10.855 -6.863 0.873 1.00 0.00 C ATOM 1184 CE2 TYR T 78 12.990 -7.553 1.704 1.00 0.00 C ATOM 1185 CZ TYR T 78 11.755 -7.863 1.174 1.00 0.00 C ATOM 1186 OH TYR T 78 11.419 -9.178 0.945 1.00 0.00 O ATOM 0 H TYR T 78 10.268 -2.937 2.039 1.00 0.00 H new ATOM 0 HA TYR T 78 12.370 -3.663 3.991 1.00 0.00 H new ATOM 0 HB2 TYR T 78 12.582 -3.179 0.995 1.00 0.00 H new ATOM 0 HB3 TYR T 78 13.878 -3.695 2.056 1.00 0.00 H new ATOM 0 HD1 TYR T 78 10.489 -4.763 0.866 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.290 -5.993 2.349 1.00 0.00 H new ATOM 0 HE1 TYR T 78 9.888 -7.109 0.459 1.00 0.00 H new ATOM 0 HE2 TYR T 78 13.693 -8.339 1.939 1.00 0.00 H new ATOM 0 HH TYR T 78 12.164 -9.757 1.210 1.00 0.00 H new ATOM 1196 N GLY T 79 11.487 -0.788 3.036 1.00 0.00 N ATOM 1197 CA GLY T 79 11.745 0.636 3.139 1.00 0.00 C ATOM 1198 C GLY T 79 11.808 1.279 1.767 1.00 0.00 C ATOM 1199 O GLY T 79 11.758 0.590 0.749 1.00 0.00 O ATOM 0 H GLY T 79 10.521 -1.034 2.819 1.00 0.00 H new ATOM 0 HA2 GLY T 79 10.961 1.109 3.730 1.00 0.00 H new ATOM 0 HA3 GLY T 79 12.685 0.801 3.665 1.00 0.00 H new ATOM 1203 N ILE T 80 11.917 2.604 1.740 1.00 0.00 N ATOM 1204 CA ILE T 80 11.985 3.340 0.487 1.00 0.00 C ATOM 1205 C ILE T 80 13.124 2.834 -0.390 1.00 0.00 C ATOM 1206 O ILE T 80 14.081 2.233 0.100 1.00 0.00 O ATOM 1207 CB ILE T 80 12.179 4.844 0.745 1.00 0.00 C ATOM 1208 CG1 ILE T 80 11.256 5.307 1.871 1.00 0.00 C ATOM 1209 CG2 ILE T 80 11.924 5.640 -0.527 1.00 0.00 C ATOM 1210 CD1 ILE T 80 11.263 6.805 2.089 1.00 0.00 C ATOM 0 H ILE T 80 11.960 3.189 2.575 1.00 0.00 H new ATOM 0 HA ILE T 80 11.040 3.180 -0.032 1.00 0.00 H new ATOM 0 HB ILE T 80 13.211 5.018 1.051 1.00 0.00 H new ATOM 0 HG12 ILE T 80 10.238 4.986 1.649 1.00 0.00 H new ATOM 0 HG13 ILE T 80 11.551 4.813 2.797 1.00 0.00 H new ATOM 0 HG21 ILE T 80 12.066 6.702 -0.326 1.00 0.00 H new ATOM 0 HG22 ILE T 80 12.621 5.321 -1.302 1.00 0.00 H new ATOM 0 HG23 ILE T 80 10.902 5.468 -0.865 1.00 0.00 H new ATOM 0 HD11 ILE T 80 10.584 7.057 2.904 1.00 0.00 H new ATOM 0 HD12 ILE T 80 12.272 7.131 2.343 1.00 0.00 H new ATOM 0 HD13 ILE T 80 10.938 7.307 1.178 1.00 0.00 H new ATOM 1222 N ARG T 81 13.015 3.083 -1.690 1.00 0.00 N ATOM 1223 CA ARG T 81 14.035 2.654 -2.641 1.00 0.00 C ATOM 1224 C ARG T 81 14.620 3.850 -3.386 1.00 0.00 C ATOM 1225 O ARG T 81 15.346 3.687 -4.367 1.00 0.00 O ATOM 1226 CB ARG T 81 13.445 1.656 -3.639 1.00 0.00 C ATOM 1227 CG ARG T 81 12.963 0.366 -2.996 1.00 0.00 C ATOM 1228 CD ARG T 81 13.659 -0.847 -3.589 1.00 0.00 C ATOM 1229 NE ARG T 81 13.388 -0.989 -5.017 1.00 0.00 N ATOM 1230 CZ ARG T 81 14.026 -1.848 -5.805 1.00 0.00 C ATOM 1231 NH1 ARG T 81 14.967 -2.638 -5.305 1.00 0.00 N ATOM 1232 NH2 ARG T 81 13.723 -1.919 -7.094 1.00 0.00 N ATOM 0 H ARG T 81 12.230 3.580 -2.110 1.00 0.00 H new ATOM 0 HA ARG T 81 14.835 2.168 -2.083 1.00 0.00 H new ATOM 0 HB2 ARG T 81 12.611 2.126 -4.160 1.00 0.00 H new ATOM 0 HB3 ARG T 81 14.198 1.418 -4.391 1.00 0.00 H new ATOM 0 HG2 ARG T 81 13.147 0.403 -1.922 1.00 0.00 H new ATOM 0 HG3 ARG T 81 11.886 0.271 -3.132 1.00 0.00 H new ATOM 0 HD2 ARG T 81 14.734 -0.762 -3.431 1.00 0.00 H new ATOM 0 HD3 ARG T 81 13.330 -1.745 -3.066 1.00 0.00 H new ATOM 0 HE ARG T 81 12.669 -0.396 -5.432 1.00 0.00 H new ATOM 0 HH11 ARG T 81 15.202 -2.587 -4.314 1.00 0.00 H new ATOM 0 HH12 ARG T 81 15.455 -3.297 -5.912 1.00 0.00 H new ATOM 0 HH21 ARG T 81 12.999 -1.314 -7.482 1.00 0.00 H new ATOM 0 HH22 ARG T 81 14.214 -2.579 -7.698 1.00 0.00 H new ATOM 1246 N LEU T 82 14.300 5.050 -2.913 1.00 0.00 N ATOM 1247 CA LEU T 82 14.795 6.274 -3.534 1.00 0.00 C ATOM 1248 C LEU T 82 14.382 6.346 -5.000 1.00 0.00 C ATOM 1249 O LEU T 82 15.186 6.690 -5.866 1.00 0.00 O ATOM 1250 CB LEU T 82 16.318 6.350 -3.416 1.00 0.00 C ATOM 1251 CG LEU T 82 16.889 7.727 -3.068 1.00 0.00 C ATOM 1252 CD1 LEU T 82 16.464 8.761 -4.100 1.00 0.00 C ATOM 1253 CD2 LEU T 82 16.449 8.151 -1.675 1.00 0.00 C ATOM 0 H LEU T 82 13.700 5.201 -2.102 1.00 0.00 H new ATOM 0 HA LEU T 82 14.354 7.122 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.641 5.640 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU T 82 16.754 6.024 -4.361 1.00 0.00 H new ATOM 0 HG LEU T 82 17.977 7.659 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU T 82 16.880 9.733 -3.834 1.00 0.00 H new ATOM 0 HD12 LEU T 82 16.831 8.466 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU T 82 15.376 8.826 -4.123 1.00 0.00 H new ATOM 0 HD21 LEU T 82 16.865 9.132 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU T 82 15.361 8.200 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU T 82 16.806 7.425 -0.944 1.00 0.00 H new ATOM 1265 N ASN T 83 13.123 6.017 -5.272 1.00 0.00 N ATOM 1266 CA ASN T 83 12.603 6.044 -6.634 1.00 0.00 C ATOM 1267 C ASN T 83 11.085 5.902 -6.641 1.00 0.00 C ATOM 1268 O ASN T 83 10.552 4.839 -6.960 1.00 0.00 O ATOM 1269 CB ASN T 83 13.236 4.927 -7.465 1.00 0.00 C ATOM 1270 CG ASN T 83 12.868 5.021 -8.933 1.00 0.00 C ATOM 1271 OD1 ASN T 83 12.010 4.284 -9.418 1.00 0.00 O ATOM 1272 ND2 ASN T 83 13.518 5.932 -9.648 1.00 0.00 N ATOM 0 H ASN T 83 12.444 5.729 -4.567 1.00 0.00 H new ATOM 0 HA ASN T 83 12.860 7.007 -7.075 1.00 0.00 H new ATOM 0 HB2 ASN T 83 14.320 4.970 -7.361 1.00 0.00 H new ATOM 0 HB3 ASN T 83 12.917 3.961 -7.074 1.00 0.00 H new ATOM 0 HD21 ASN T 83 13.313 6.042 -10.641 1.00 0.00 H new ATOM 0 HD22 ASN T 83 14.222 6.522 -9.204 1.00 0.00 H new ATOM 1279 N ARG T 84 10.393 6.980 -6.285 1.00 0.00 N ATOM 1280 CA ARG T 84 8.937 6.977 -6.248 1.00 0.00 C ATOM 1281 C ARG T 84 8.354 6.834 -7.650 1.00 0.00 C ATOM 1282 O ARG T 84 7.142 6.704 -7.817 1.00 0.00 O ATOM 1283 CB ARG T 84 8.426 8.265 -5.601 1.00 0.00 C ATOM 1284 CG ARG T 84 9.305 8.771 -4.470 1.00 0.00 C ATOM 1285 CD ARG T 84 9.935 10.113 -4.805 1.00 0.00 C ATOM 1286 NE ARG T 84 9.743 11.092 -3.739 1.00 0.00 N ATOM 1287 CZ ARG T 84 8.750 11.975 -3.719 1.00 0.00 C ATOM 1288 NH1 ARG T 84 7.864 12.004 -4.706 1.00 0.00 N ATOM 1289 NH2 ARG T 84 8.640 12.831 -2.712 1.00 0.00 N ATOM 0 H ARG T 84 10.819 7.867 -6.018 1.00 0.00 H new ATOM 0 HA ARG T 84 8.614 6.122 -5.654 1.00 0.00 H new ATOM 0 HB2 ARG T 84 8.350 9.039 -6.364 1.00 0.00 H new ATOM 0 HB3 ARG T 84 7.420 8.095 -5.219 1.00 0.00 H new ATOM 0 HG2 ARG T 84 8.711 8.865 -3.561 1.00 0.00 H new ATOM 0 HG3 ARG T 84 10.089 8.042 -4.264 1.00 0.00 H new ATOM 0 HD2 ARG T 84 11.002 9.977 -4.984 1.00 0.00 H new ATOM 0 HD3 ARG T 84 9.502 10.495 -5.730 1.00 0.00 H new ATOM 0 HE ARG T 84 10.409 11.099 -2.966 1.00 0.00 H new ATOM 0 HH11 ARG T 84 7.944 11.348 -5.483 1.00 0.00 H new ATOM 0 HH12 ARG T 84 7.103 12.683 -4.688 1.00 0.00 H new ATOM 0 HH21 ARG T 84 9.318 12.813 -1.951 1.00 0.00 H new ATOM 0 HH22 ARG T 84 7.877 13.508 -2.699 1.00 0.00 H new ATOM 1303 N SER T 85 9.224 6.860 -8.655 1.00 0.00 N ATOM 1304 CA SER T 85 8.793 6.735 -10.043 1.00 0.00 C ATOM 1305 C SER T 85 8.384 5.300 -10.364 1.00 0.00 C ATOM 1306 O SER T 85 8.181 4.949 -11.526 1.00 0.00 O ATOM 1307 CB SER T 85 9.909 7.184 -10.987 1.00 0.00 C ATOM 1308 OG SER T 85 11.084 6.418 -10.789 1.00 0.00 O ATOM 0 H SER T 85 10.231 6.966 -8.534 1.00 0.00 H new ATOM 0 HA SER T 85 7.925 7.378 -10.185 1.00 0.00 H new ATOM 0 HB2 SER T 85 9.577 7.085 -12.020 1.00 0.00 H new ATOM 0 HB3 SER T 85 10.127 8.239 -10.822 1.00 0.00 H new ATOM 0 HG SER T 85 10.868 5.617 -10.267 1.00 0.00 H new ATOM 1314 N GLU T 86 8.263 4.476 -9.329 1.00 0.00 N ATOM 1315 CA GLU T 86 7.877 3.082 -9.502 1.00 0.00 C ATOM 1316 C GLU T 86 6.385 2.968 -9.799 1.00 0.00 C ATOM 1317 O GLU T 86 5.670 3.969 -9.819 1.00 0.00 O ATOM 1318 CB GLU T 86 8.224 2.285 -8.245 1.00 0.00 C ATOM 1319 CG GLU T 86 9.708 1.988 -8.106 1.00 0.00 C ATOM 1320 CD GLU T 86 10.099 0.663 -8.729 1.00 0.00 C ATOM 1321 OE1 GLU T 86 10.197 0.597 -9.972 1.00 0.00 O ATOM 1322 OE2 GLU T 86 10.307 -0.310 -7.973 1.00 0.00 O ATOM 0 H GLU T 86 8.427 4.751 -8.360 1.00 0.00 H new ATOM 0 HA GLU T 86 8.428 2.673 -10.349 1.00 0.00 H new ATOM 0 HB2 GLU T 86 7.889 2.840 -7.369 1.00 0.00 H new ATOM 0 HB3 GLU T 86 7.673 1.345 -8.257 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.280 2.788 -8.575 1.00 0.00 H new ATOM 0 HG3 GLU T 86 9.976 1.981 -7.049 1.00 0.00 H new ATOM 1329 N ARG T 87 5.920 1.744 -10.030 1.00 0.00 N ATOM 1330 CA ARG T 87 4.511 1.511 -10.325 1.00 0.00 C ATOM 1331 C ARG T 87 3.948 0.376 -9.478 1.00 0.00 C ATOM 1332 O ARG T 87 4.332 -0.782 -9.634 1.00 0.00 O ATOM 1333 CB ARG T 87 4.316 1.194 -11.806 1.00 0.00 C ATOM 1334 CG ARG T 87 5.049 2.141 -12.743 1.00 0.00 C ATOM 1335 CD ARG T 87 4.183 2.546 -13.925 1.00 0.00 C ATOM 1336 NE ARG T 87 4.606 1.891 -15.160 1.00 0.00 N ATOM 1337 CZ ARG T 87 4.036 2.109 -16.341 1.00 0.00 C ATOM 1338 NH1 ARG T 87 3.026 2.961 -16.444 1.00 0.00 N ATOM 1339 NH2 ARG T 87 4.477 1.475 -17.419 1.00 0.00 N ATOM 0 H ARG T 87 6.496 0.902 -10.019 1.00 0.00 H new ATOM 0 HA ARG T 87 3.970 2.425 -10.081 1.00 0.00 H new ATOM 0 HB2 ARG T 87 4.655 0.176 -11.997 1.00 0.00 H new ATOM 0 HB3 ARG T 87 3.251 1.224 -12.036 1.00 0.00 H new ATOM 0 HG2 ARG T 87 5.355 3.032 -12.194 1.00 0.00 H new ATOM 0 HG3 ARG T 87 5.959 1.662 -13.106 1.00 0.00 H new ATOM 0 HD2 ARG T 87 3.144 2.292 -13.717 1.00 0.00 H new ATOM 0 HD3 ARG T 87 4.228 3.627 -14.054 1.00 0.00 H new ATOM 0 HE ARG T 87 5.381 1.230 -15.114 1.00 0.00 H new ATOM 0 HH11 ARG T 87 2.685 3.450 -15.616 1.00 0.00 H new ATOM 0 HH12 ARG T 87 2.590 3.127 -17.351 1.00 0.00 H new ATOM 0 HH21 ARG T 87 5.254 0.819 -17.343 1.00 0.00 H new ATOM 0 HH22 ARG T 87 4.039 1.643 -18.325 1.00 0.00 H new ATOM 1353 N TRP T 88 3.027 0.725 -8.588 1.00 0.00 N ATOM 1354 CA TRP T 88 2.388 -0.249 -7.707 1.00 0.00 C ATOM 1355 C TRP T 88 0.987 0.222 -7.329 1.00 0.00 C ATOM 1356 O TRP T 88 0.358 0.982 -8.065 1.00 0.00 O ATOM 1357 CB TRP T 88 3.217 -0.456 -6.435 1.00 0.00 C ATOM 1358 CG TRP T 88 4.694 -0.506 -6.672 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.599 0.479 -6.402 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.441 -1.600 -7.218 1.00 0.00 C ATOM 1361 NE1 TRP T 88 6.862 0.068 -6.751 1.00 0.00 N ATOM 1362 CE2 TRP T 88 6.792 -1.205 -7.255 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.099 -2.874 -7.681 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 7.798 -2.039 -7.735 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.099 -3.700 -8.158 1.00 0.00 C ATOM 1366 CH2 TRP T 88 7.435 -3.280 -8.182 1.00 0.00 C ATOM 0 H TRP T 88 2.703 1.683 -8.456 1.00 0.00 H new ATOM 0 HA TRP T 88 2.320 -1.196 -8.242 1.00 0.00 H new ATOM 0 HB2 TRP T 88 2.999 0.351 -5.736 1.00 0.00 H new ATOM 0 HB3 TRP T 88 2.904 -1.384 -5.957 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.357 1.442 -5.976 1.00 0.00 H new ATOM 0 HE1 TRP T 88 7.714 0.620 -6.651 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.072 -3.207 -7.666 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 8.829 -1.718 -7.754 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 5.846 -4.686 -8.518 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.194 -3.949 -8.561 1.00 0.00 H new ATOM 1377 N ASP T 89 0.510 -0.222 -6.172 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.809 0.166 -5.692 1.00 0.00 C ATOM 1379 C ASP T 89 -0.698 1.330 -4.714 1.00 0.00 C ATOM 1380 O ASP T 89 0.375 1.911 -4.546 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.505 -1.018 -5.019 1.00 0.00 C ATOM 1382 CG ASP T 89 -0.671 -2.281 -5.080 1.00 0.00 C ATOM 1383 OD1 ASP T 89 -0.310 -2.701 -6.200 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -0.381 -2.852 -4.008 1.00 0.00 O ATOM 0 H ASP T 89 1.018 -0.851 -5.550 1.00 0.00 H new ATOM 0 HA ASP T 89 -1.405 0.481 -6.548 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -1.713 -0.771 -3.978 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.466 -1.195 -5.502 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.809 1.671 -4.074 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.826 2.771 -3.119 1.00 0.00 C ATOM 1391 C ALA T 90 -2.756 2.478 -1.946 1.00 0.00 C ATOM 1392 O ALA T 90 -3.960 2.298 -2.127 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.248 4.056 -3.814 1.00 0.00 C ATOM 0 H ALA T 90 -2.707 1.204 -4.198 1.00 0.00 H new ATOM 0 HA ALA T 90 -0.817 2.889 -2.723 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.258 4.873 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.543 4.286 -4.613 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.246 3.931 -4.235 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.194 2.444 -0.741 1.00 0.00 N ATOM 1400 CA TYR T 91 -2.978 2.187 0.459 1.00 0.00 C ATOM 1401 C TYR T 91 -3.562 3.489 0.998 1.00 0.00 C ATOM 1402 O TYR T 91 -2.826 4.390 1.397 1.00 0.00 O ATOM 1403 CB TYR T 91 -2.108 1.525 1.528 1.00 0.00 C ATOM 1404 CG TYR T 91 -1.856 0.051 1.297 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -2.905 -0.861 1.254 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -0.564 -0.429 1.122 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -2.672 -2.206 1.043 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -0.324 -1.773 0.911 1.00 0.00 C ATOM 1409 CZ TYR T 91 -1.381 -2.657 0.872 1.00 0.00 C ATOM 1410 OH TYR T 91 -1.145 -3.996 0.662 1.00 0.00 O ATOM 0 H TYR T 91 -1.199 2.591 -0.572 1.00 0.00 H new ATOM 0 HA TYR T 91 -3.795 1.513 0.201 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -1.150 2.043 1.573 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -2.586 1.653 2.499 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -3.918 -0.512 1.388 1.00 0.00 H new ATOM 0 HD2 TYR T 91 0.267 0.260 1.151 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -3.498 -2.901 1.012 1.00 0.00 H new ATOM 0 HE2 TYR T 91 0.687 -2.129 0.777 1.00 0.00 H new ATOM 0 HH TYR T 91 -0.687 -4.117 -0.196 1.00 0.00 H new ATOM 1420 N CYS T 92 -4.887 3.587 1.000 1.00 0.00 N ATOM 1421 CA CYS T 92 -5.561 4.786 1.484 1.00 0.00 C ATOM 1422 C CYS T 92 -5.931 4.654 2.957 1.00 0.00 C ATOM 1423 O CYS T 92 -6.093 3.548 3.472 1.00 0.00 O ATOM 1424 CB CYS T 92 -6.818 5.059 0.654 1.00 0.00 C ATOM 1425 SG CYS T 92 -6.557 6.198 -0.744 1.00 0.00 S ATOM 0 H CYS T 92 -5.514 2.852 0.673 1.00 0.00 H new ATOM 0 HA CYS T 92 -4.871 5.623 1.378 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -7.199 4.113 0.271 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -7.588 5.472 1.306 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.068 5.793 3.629 1.00 0.00 N ATOM 1431 CA TYR T 93 -6.424 5.815 5.041 1.00 0.00 C ATOM 1432 C TYR T 93 -7.130 7.117 5.395 1.00 0.00 C ATOM 1433 O TYR T 93 -6.486 8.145 5.604 1.00 0.00 O ATOM 1434 CB TYR T 93 -5.178 5.652 5.912 1.00 0.00 C ATOM 1435 CG TYR T 93 -5.490 5.532 7.388 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -6.145 6.554 8.065 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -5.129 4.398 8.105 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -6.432 6.450 9.413 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -5.413 4.285 9.453 1.00 0.00 C ATOM 1440 CZ TYR T 93 -6.064 5.314 10.102 1.00 0.00 C ATOM 1441 OH TYR T 93 -6.348 5.205 11.444 1.00 0.00 O ATOM 0 H TYR T 93 -5.937 6.716 3.215 1.00 0.00 H new ATOM 0 HA TYR T 93 -7.101 4.982 5.231 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -4.632 4.765 5.590 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -4.520 6.506 5.755 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -6.435 7.445 7.528 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -4.618 3.591 7.601 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -6.941 7.254 9.924 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -5.127 3.396 9.995 1.00 0.00 H new ATOM 0 HH TYR T 93 -6.023 4.343 11.778 1.00 0.00 H new ATOM 1451 N ASN T 94 -8.453 7.069 5.461 1.00 0.00 N ATOM 1452 CA ASN T 94 -9.240 8.247 5.791 1.00 0.00 C ATOM 1453 C ASN T 94 -10.170 7.958 6.963 1.00 0.00 C ATOM 1454 O ASN T 94 -10.816 6.912 7.011 1.00 0.00 O ATOM 1455 CB ASN T 94 -10.060 8.694 4.582 1.00 0.00 C ATOM 1456 CG ASN T 94 -9.268 8.667 3.289 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -8.097 8.289 3.270 1.00 0.00 O ATOM 1458 ND2 ASN T 94 -9.907 9.070 2.198 1.00 0.00 N ATOM 0 H ASN T 94 -9.003 6.227 5.290 1.00 0.00 H new ATOM 0 HA ASN T 94 -8.555 9.046 6.073 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -10.932 8.048 4.482 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -10.431 9.705 4.754 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -9.427 9.074 1.298 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -10.878 9.375 2.259 1.00 0.00 H new ATOM 1465 N PRO T 95 -10.254 8.888 7.924 1.00 0.00 N ATOM 1466 CA PRO T 95 -11.115 8.729 9.097 1.00 0.00 C ATOM 1467 C PRO T 95 -12.545 8.373 8.707 1.00 0.00 C ATOM 1468 O PRO T 95 -13.232 7.640 9.419 1.00 0.00 O ATOM 1469 CB PRO T 95 -11.068 10.104 9.766 1.00 0.00 C ATOM 1470 CG PRO T 95 -9.776 10.697 9.322 1.00 0.00 C ATOM 1471 CD PRO T 95 -9.521 10.165 7.940 1.00 0.00 C ATOM 0 HA PRO T 95 -10.781 7.919 9.746 1.00 0.00 H new ATOM 0 HB2 PRO T 95 -11.913 10.722 9.461 1.00 0.00 H new ATOM 0 HB3 PRO T 95 -11.112 10.018 10.852 1.00 0.00 H new ATOM 0 HG2 PRO T 95 -9.830 11.786 9.316 1.00 0.00 H new ATOM 0 HG3 PRO T 95 -8.968 10.421 10.000 1.00 0.00 H new ATOM 0 HD2 PRO T 95 -9.887 10.848 7.173 1.00 0.00 H new ATOM 0 HD3 PRO T 95 -8.457 10.019 7.756 1.00 0.00 H new ATOM 1479 N HIS T 96 -12.986 8.898 7.568 1.00 0.00 N ATOM 1480 CA HIS T 96 -14.333 8.639 7.074 1.00 0.00 C ATOM 1481 C HIS T 96 -14.306 8.227 5.604 1.00 0.00 C ATOM 1482 O HIS T 96 -15.190 7.510 5.135 1.00 0.00 O ATOM 1483 CB HIS T 96 -15.211 9.879 7.252 1.00 0.00 C ATOM 1484 CG HIS T 96 -15.362 10.300 8.681 1.00 0.00 C ATOM 1485 ND1 HIS T 96 -15.778 9.444 9.678 1.00 0.00 N ATOM 1486 CD2 HIS T 96 -15.149 11.496 9.279 1.00 0.00 C ATOM 1487 CE1 HIS T 96 -15.815 10.094 10.828 1.00 0.00 C ATOM 1488 NE2 HIS T 96 -15.438 11.341 10.612 1.00 0.00 N ATOM 0 H HIS T 96 -12.428 9.507 6.969 1.00 0.00 H new ATOM 0 HA HIS T 96 -14.753 7.818 7.654 1.00 0.00 H new ATOM 0 HB2 HIS T 96 -14.783 10.703 6.681 1.00 0.00 H new ATOM 0 HB3 HIS T 96 -16.197 9.680 6.833 1.00 0.00 H new ATOM 0 HD2 HIS T 96 -14.814 12.403 8.797 1.00 0.00 H new ATOM 0 HE1 HIS T 96 -16.104 9.677 11.781 1.00 0.00 H new ATOM 0 HE2 HIS T 96 -15.372 12.071 11.321 1.00 0.00 H new ATOM 1497 N ALA T 97 -13.285 8.687 4.884 1.00 0.00 N ATOM 1498 CA ALA T 97 -13.137 8.370 3.467 1.00 0.00 C ATOM 1499 C ALA T 97 -14.489 8.331 2.764 1.00 0.00 C ATOM 1500 O ALA T 97 -14.869 7.314 2.182 1.00 0.00 O ATOM 1501 CB ALA T 97 -12.409 7.046 3.295 1.00 0.00 C ATOM 0 H ALA T 97 -12.547 9.282 5.261 1.00 0.00 H new ATOM 0 HA ALA T 97 -12.544 9.160 3.006 1.00 0.00 H new ATOM 0 HB1 ALA T 97 -12.306 6.823 2.233 1.00 0.00 H new ATOM 0 HB2 ALA T 97 -11.420 7.113 3.749 1.00 0.00 H new ATOM 0 HB3 ALA T 97 -12.978 6.252 3.779 1.00 0.00 H new ATOM 1507 N LYS T 98 -15.213 9.444 2.822 1.00 0.00 N ATOM 1508 CA LYS T 98 -16.524 9.538 2.191 1.00 0.00 C ATOM 1509 C LYS T 98 -16.579 10.716 1.224 1.00 0.00 C ATOM 1510 O LYS T 98 -16.038 11.788 1.566 1.00 0.00 O ATOM 1511 CB LYS T 98 -17.615 9.683 3.254 1.00 0.00 C ATOM 1512 CG LYS T 98 -19.021 9.723 2.677 1.00 0.00 C ATOM 1513 CD LYS T 98 -19.496 8.337 2.270 1.00 0.00 C ATOM 1514 CE LYS T 98 -20.748 7.930 3.030 1.00 0.00 C ATOM 1515 NZ LYS T 98 -20.587 6.609 3.697 1.00 0.00 N ATOM 1516 OXT LYS T 98 -17.164 10.557 0.132 1.00 0.00 O ATOM 0 H LYS T 98 -14.914 10.294 3.300 1.00 0.00 H new ATOM 0 HA LYS T 98 -16.695 8.621 1.627 1.00 0.00 H new ATOM 0 HB2 LYS T 98 -17.542 8.851 3.955 1.00 0.00 H new ATOM 0 HB3 LYS T 98 -17.438 10.596 3.823 1.00 0.00 H new ATOM 0 HG2 LYS T 98 -19.706 10.142 3.414 1.00 0.00 H new ATOM 0 HG3 LYS T 98 -19.041 10.385 1.811 1.00 0.00 H new ATOM 0 HD2 LYS T 98 -19.698 8.321 1.199 1.00 0.00 H new ATOM 0 HD3 LYS T 98 -18.704 7.611 2.456 1.00 0.00 H new ATOM 0 HE2 LYS T 98 -20.982 8.688 3.777 1.00 0.00 H new ATOM 0 HE3 LYS T 98 -21.593 7.889 2.343 1.00 0.00 H new ATOM 0 HZ1 LYS T 98 -21.462 6.367 4.204 1.00 0.00 H new ATOM 0 HZ2 LYS T 98 -20.389 5.881 2.981 1.00 0.00 H new ATOM 0 HZ3 LYS T 98 -19.797 6.655 4.372 1.00 0.00 H new TER 1530 LYS T 98