USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 347 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: A 220 THR OG1 : rot -77:sc= -2.15! USER MOD Set 1.2: A 222 HIS : no HD1:sc= -3.35! C(o=-5.5!,f=-8!) USER MOD Single : A 199 SER OG : rot -57:sc= 0.55 USER MOD Single : A 206 ASN : amide:sc= -5.25! C(o=-5.2!,f=-11!) USER MOD Single : A 210 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : A 212 THR OG1 : rot -160:sc= -1.5! USER MOD Single : A 223 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 ASN : amide:sc= -0.133 K(o=-0.13,f=-0.87) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 232 HIS :FLIP no HD1:sc= -1.56 F(o=-2.9!,f=-1.6) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 ASN : amide:sc= -0.0468 X(o=-0.047,f=-0.047) USER MOD Single : A 237 GLN : amide:sc= -0.0543 X(o=-0.054,f=0) USER MOD Single : A 238 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 198 -2.127 -20.501 -5.142 1.00 1.00 N ATOM 2 CA GLY A 198 -1.039 -19.772 -5.856 1.00 1.00 C ATOM 3 C GLY A 198 -1.454 -18.316 -6.066 1.00 1.00 C ATOM 4 O GLY A 198 -2.564 -18.028 -6.465 1.00 1.00 O ATOM 0 HA2 GLY A 198 -0.116 -19.818 -5.279 1.00 1.00 H new ATOM 0 HA3 GLY A 198 -0.838 -20.246 -6.817 1.00 1.00 H new ATOM 10 N SER A 199 -0.570 -17.392 -5.798 1.00 1.00 N ATOM 11 CA SER A 199 -0.918 -15.954 -5.981 1.00 1.00 C ATOM 12 C SER A 199 -2.159 -15.607 -5.154 1.00 1.00 C ATOM 13 O SER A 199 -3.004 -14.842 -5.571 1.00 1.00 O ATOM 14 CB SER A 199 -1.208 -15.802 -7.475 1.00 1.00 C ATOM 15 OG SER A 199 -2.614 -15.798 -7.683 1.00 1.00 O ATOM 0 H SER A 199 0.376 -17.571 -5.461 1.00 1.00 H new ATOM 0 HA SER A 199 -0.119 -15.289 -5.654 1.00 1.00 H new ATOM 0 HB2 SER A 199 -0.771 -14.876 -7.850 1.00 1.00 H new ATOM 0 HB3 SER A 199 -0.749 -16.619 -8.031 1.00 1.00 H new ATOM 0 HG SER A 199 -3.002 -16.619 -7.314 1.00 1.00 H new ATOM 21 N GLU A 200 -2.273 -16.173 -3.982 1.00 1.00 N ATOM 22 CA GLU A 200 -3.457 -15.887 -3.126 1.00 1.00 C ATOM 23 C GLU A 200 -3.443 -14.430 -2.660 1.00 1.00 C ATOM 24 O GLU A 200 -4.217 -13.613 -3.119 1.00 1.00 O ATOM 25 CB GLU A 200 -3.319 -16.836 -1.934 1.00 1.00 C ATOM 26 CG GLU A 200 -4.563 -16.729 -1.049 1.00 1.00 C ATOM 27 CD GLU A 200 -5.146 -18.125 -0.814 1.00 1.00 C ATOM 28 OE1 GLU A 200 -4.570 -18.861 -0.029 1.00 1.00 O ATOM 29 OE2 GLU A 200 -6.157 -18.432 -1.422 1.00 1.00 O ATOM 0 H GLU A 200 -1.595 -16.822 -3.582 1.00 1.00 H new ATOM 0 HA GLU A 200 -4.396 -16.034 -3.660 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -3.196 -17.861 -2.284 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -2.428 -16.587 -1.358 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -4.306 -16.266 -0.096 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -5.306 -16.089 -1.524 1.00 1.00 H new ATOM 36 N ALA A 201 -2.573 -14.099 -1.749 1.00 1.00 N ATOM 37 CA ALA A 201 -2.511 -12.697 -1.246 1.00 1.00 C ATOM 38 C ALA A 201 -2.099 -11.742 -2.370 1.00 1.00 C ATOM 39 O ALA A 201 -1.707 -12.161 -3.441 1.00 1.00 O ATOM 40 CB ALA A 201 -1.448 -12.720 -0.147 1.00 1.00 C ATOM 0 H ALA A 201 -1.900 -14.740 -1.329 1.00 1.00 H new ATOM 0 HA ALA A 201 -3.476 -12.350 -0.877 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -1.341 -11.721 0.277 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.749 -13.416 0.636 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -0.495 -13.039 -0.569 1.00 1.00 H new ATOM 46 N ARG A 202 -2.183 -10.462 -2.130 1.00 1.00 N ATOM 47 CA ARG A 202 -1.794 -9.478 -3.181 1.00 1.00 C ATOM 48 C ARG A 202 -0.337 -9.045 -2.981 1.00 1.00 C ATOM 49 O ARG A 202 0.376 -9.594 -2.164 1.00 1.00 O ATOM 50 CB ARG A 202 -2.738 -8.292 -2.981 1.00 1.00 C ATOM 51 CG ARG A 202 -3.698 -8.202 -4.169 1.00 1.00 C ATOM 52 CD ARG A 202 -4.824 -9.224 -3.996 1.00 1.00 C ATOM 53 NE ARG A 202 -4.513 -10.308 -4.969 1.00 1.00 N ATOM 54 CZ ARG A 202 -4.873 -10.187 -6.219 1.00 1.00 C ATOM 55 NH1 ARG A 202 -6.107 -10.422 -6.568 1.00 1.00 N ATOM 56 NH2 ARG A 202 -3.996 -9.832 -7.118 1.00 1.00 N ATOM 0 H ARG A 202 -2.504 -10.055 -1.252 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.869 -9.893 -4.186 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.299 -8.412 -2.054 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.166 -7.369 -2.891 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.113 -7.197 -4.239 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -3.161 -8.391 -5.099 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -4.857 -9.607 -2.976 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -5.797 -8.778 -4.200 1.00 1.00 H new ATOM 0 HE ARG A 202 -4.019 -11.145 -4.659 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -6.792 -10.700 -5.865 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -6.388 -10.327 -7.544 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -3.031 -9.649 -6.844 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -4.276 -9.737 -8.094 1.00 1.00 H new ATOM 70 N GLU A 203 0.105 -8.064 -3.716 1.00 1.00 N ATOM 71 CA GLU A 203 1.513 -7.592 -3.566 1.00 1.00 C ATOM 72 C GLU A 203 1.533 -6.075 -3.385 1.00 1.00 C ATOM 73 O GLU A 203 1.170 -5.330 -4.273 1.00 1.00 O ATOM 74 CB GLU A 203 2.207 -7.989 -4.869 1.00 1.00 C ATOM 75 CG GLU A 203 3.222 -9.100 -4.590 1.00 1.00 C ATOM 76 CD GLU A 203 4.586 -8.700 -5.154 1.00 1.00 C ATOM 77 OE1 GLU A 203 5.008 -7.585 -4.897 1.00 1.00 O ATOM 78 OE2 GLU A 203 5.187 -9.518 -5.834 1.00 1.00 O ATOM 0 H GLU A 203 -0.447 -7.567 -4.415 1.00 1.00 H new ATOM 0 HA GLU A 203 2.009 -8.026 -2.698 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.470 -8.330 -5.597 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.709 -7.125 -5.304 1.00 1.00 H new ATOM 0 HG2 GLU A 203 3.298 -9.276 -3.517 1.00 1.00 H new ATOM 0 HG3 GLU A 203 2.889 -10.033 -5.044 1.00 1.00 H new ATOM 85 N CYS A 204 1.952 -5.610 -2.241 1.00 1.00 N ATOM 86 CA CYS A 204 1.991 -4.144 -2.007 1.00 1.00 C ATOM 87 C CYS A 204 2.705 -3.443 -3.159 1.00 1.00 C ATOM 88 O CYS A 204 3.901 -3.564 -3.329 1.00 1.00 O ATOM 89 CB CYS A 204 2.773 -3.975 -0.710 1.00 1.00 C ATOM 90 SG CYS A 204 2.703 -2.250 -0.182 1.00 1.00 S ATOM 0 H CYS A 204 2.269 -6.184 -1.459 1.00 1.00 H new ATOM 0 HA CYS A 204 0.994 -3.709 -1.943 1.00 1.00 H new ATOM 0 HB2 CYS A 204 2.357 -4.620 0.064 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.809 -4.280 -0.856 1.00 1.00 H new ATOM 95 N VAL A 205 1.979 -2.700 -3.946 1.00 1.00 N ATOM 96 CA VAL A 205 2.610 -1.979 -5.084 1.00 1.00 C ATOM 97 C VAL A 205 3.829 -1.187 -4.597 1.00 1.00 C ATOM 98 O VAL A 205 4.670 -0.783 -5.375 1.00 1.00 O ATOM 99 CB VAL A 205 1.521 -1.031 -5.593 1.00 1.00 C ATOM 100 CG1 VAL A 205 1.140 -0.049 -4.485 1.00 1.00 C ATOM 101 CG2 VAL A 205 2.041 -0.251 -6.802 1.00 1.00 C ATOM 0 H VAL A 205 0.973 -2.561 -3.849 1.00 1.00 H new ATOM 0 HA VAL A 205 2.963 -2.655 -5.863 1.00 1.00 H new ATOM 0 HB VAL A 205 0.646 -1.612 -5.884 1.00 1.00 H new ATOM 0 HG11 VAL A 205 0.365 0.626 -4.848 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.766 -0.601 -3.622 1.00 1.00 H new ATOM 0 HG13 VAL A 205 2.017 0.529 -4.194 1.00 1.00 H new ATOM 0 HG21 VAL A 205 1.264 0.423 -7.162 1.00 1.00 H new ATOM 0 HG22 VAL A 205 2.917 0.328 -6.512 1.00 1.00 H new ATOM 0 HG23 VAL A 205 2.313 -0.948 -7.595 1.00 1.00 H new ATOM 111 N ASN A 206 3.918 -0.942 -3.316 1.00 1.00 N ATOM 112 CA ASN A 206 5.067 -0.158 -2.785 1.00 1.00 C ATOM 113 C ASN A 206 6.208 -1.062 -2.303 1.00 1.00 C ATOM 114 O ASN A 206 7.328 -0.944 -2.757 1.00 1.00 O ATOM 115 CB ASN A 206 4.487 0.626 -1.610 1.00 1.00 C ATOM 116 CG ASN A 206 3.700 1.826 -2.139 1.00 1.00 C ATOM 117 OD1 ASN A 206 3.177 1.789 -3.236 1.00 1.00 O ATOM 118 ND2 ASN A 206 3.596 2.897 -1.402 1.00 1.00 N ATOM 0 H ASN A 206 3.244 -1.252 -2.616 1.00 1.00 H new ATOM 0 HA ASN A 206 5.499 0.481 -3.556 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.837 -0.016 -1.016 1.00 1.00 H new ATOM 0 HB3 ASN A 206 5.288 0.964 -0.953 1.00 1.00 H new ATOM 0 HD21 ASN A 206 3.076 3.704 -1.746 1.00 1.00 H new ATOM 0 HD22 ASN A 206 4.035 2.927 -0.482 1.00 1.00 H new ATOM 125 N CYS A 207 5.957 -1.936 -1.359 1.00 1.00 N ATOM 126 CA CYS A 207 7.061 -2.786 -0.846 1.00 1.00 C ATOM 127 C CYS A 207 6.811 -4.284 -1.114 1.00 1.00 C ATOM 128 O CYS A 207 7.607 -5.125 -0.748 1.00 1.00 O ATOM 129 CB CYS A 207 7.108 -2.455 0.649 1.00 1.00 C ATOM 130 SG CYS A 207 5.855 -3.394 1.557 1.00 1.00 S ATOM 0 H CYS A 207 5.045 -2.092 -0.930 1.00 1.00 H new ATOM 0 HA CYS A 207 8.011 -2.587 -1.342 1.00 1.00 H new ATOM 0 HB2 CYS A 207 8.097 -2.683 1.045 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.945 -1.387 0.795 1.00 1.00 H new ATOM 135 N GLY A 208 5.734 -4.620 -1.774 1.00 1.00 N ATOM 136 CA GLY A 208 5.461 -6.060 -2.091 1.00 1.00 C ATOM 137 C GLY A 208 4.990 -6.814 -0.844 1.00 1.00 C ATOM 138 O GLY A 208 4.843 -8.021 -0.853 1.00 1.00 O ATOM 0 H GLY A 208 5.030 -3.963 -2.109 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.702 -6.127 -2.870 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.364 -6.527 -2.484 1.00 1.00 H new ATOM 142 N ALA A 209 4.752 -6.114 0.223 1.00 1.00 N ATOM 143 CA ALA A 209 4.287 -6.775 1.475 1.00 1.00 C ATOM 144 C ALA A 209 3.097 -7.690 1.182 1.00 1.00 C ATOM 145 O ALA A 209 2.014 -7.232 0.879 1.00 1.00 O ATOM 146 CB ALA A 209 3.864 -5.620 2.381 1.00 1.00 C ATOM 0 H ALA A 209 4.860 -5.102 0.286 1.00 1.00 H new ATOM 0 HA ALA A 209 5.057 -7.398 1.930 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.505 -6.016 3.331 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.718 -4.966 2.559 1.00 1.00 H new ATOM 0 HB3 ALA A 209 3.067 -5.053 1.900 1.00 1.00 H new ATOM 152 N THR A 210 3.285 -8.980 1.268 1.00 1.00 N ATOM 153 CA THR A 210 2.158 -9.917 0.989 1.00 1.00 C ATOM 154 C THR A 210 1.607 -10.503 2.293 1.00 1.00 C ATOM 155 O THR A 210 0.790 -11.402 2.286 1.00 1.00 O ATOM 156 CB THR A 210 2.773 -11.020 0.127 1.00 1.00 C ATOM 157 OG1 THR A 210 3.487 -10.430 -0.951 1.00 1.00 O ATOM 158 CG2 THR A 210 1.663 -11.914 -0.422 1.00 1.00 C ATOM 0 H THR A 210 4.168 -9.425 1.519 1.00 1.00 H new ATOM 0 HA THR A 210 1.324 -9.420 0.493 1.00 1.00 H new ATOM 0 HB THR A 210 3.455 -11.620 0.730 1.00 1.00 H new ATOM 0 HG1 THR A 210 3.884 -11.134 -1.505 1.00 1.00 H new ATOM 0 HG21 THR A 210 2.100 -12.701 -1.037 1.00 1.00 H new ATOM 0 HG22 THR A 210 1.114 -12.363 0.406 1.00 1.00 H new ATOM 0 HG23 THR A 210 0.981 -11.317 -1.028 1.00 1.00 H new ATOM 166 N ALA A 211 2.044 -9.998 3.412 1.00 1.00 N ATOM 167 CA ALA A 211 1.544 -10.527 4.715 1.00 1.00 C ATOM 168 C ALA A 211 0.606 -9.512 5.379 1.00 1.00 C ATOM 169 O ALA A 211 0.209 -9.672 6.515 1.00 1.00 O ATOM 170 CB ALA A 211 2.797 -10.735 5.564 1.00 1.00 C ATOM 0 H ALA A 211 2.725 -9.242 3.483 1.00 1.00 H new ATOM 0 HA ALA A 211 0.975 -11.449 4.594 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.513 -11.124 6.542 1.00 1.00 H new ATOM 0 HB2 ALA A 211 3.458 -11.446 5.069 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.314 -9.784 5.688 1.00 1.00 H new ATOM 176 N THR A 212 0.252 -8.469 4.678 1.00 1.00 N ATOM 177 CA THR A 212 -0.659 -7.448 5.272 1.00 1.00 C ATOM 178 C THR A 212 -1.957 -8.108 5.747 1.00 1.00 C ATOM 179 O THR A 212 -2.366 -9.123 5.220 1.00 1.00 O ATOM 180 CB THR A 212 -0.941 -6.463 4.138 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.926 -5.530 4.558 1.00 1.00 O ATOM 182 CG2 THR A 212 -1.445 -7.224 2.911 1.00 1.00 C ATOM 0 H THR A 212 0.553 -8.280 3.722 1.00 1.00 H new ATOM 0 HA THR A 212 -0.219 -6.956 6.139 1.00 1.00 H new ATOM 0 HB THR A 212 -0.024 -5.933 3.881 1.00 1.00 H new ATOM 0 HG1 THR A 212 -2.337 -5.112 3.772 1.00 1.00 H new ATOM 0 HG21 THR A 212 -1.646 -6.520 2.103 1.00 1.00 H new ATOM 0 HG22 THR A 212 -0.687 -7.939 2.590 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.362 -7.756 3.164 1.00 1.00 H new ATOM 190 N PRO A 213 -2.558 -7.503 6.734 1.00 1.00 N ATOM 191 CA PRO A 213 -3.824 -8.033 7.296 1.00 1.00 C ATOM 192 C PRO A 213 -4.991 -7.737 6.351 1.00 1.00 C ATOM 193 O PRO A 213 -5.813 -8.589 6.080 1.00 1.00 O ATOM 194 CB PRO A 213 -3.979 -7.269 8.608 1.00 1.00 C ATOM 195 CG PRO A 213 -3.209 -6.001 8.418 1.00 1.00 C ATOM 196 CD PRO A 213 -2.120 -6.279 7.412 1.00 1.00 C ATOM 0 HA PRO A 213 -3.813 -9.114 7.437 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -5.028 -7.064 8.823 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -3.588 -7.845 9.447 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.863 -5.204 8.064 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.782 -5.667 9.363 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -2.007 -5.453 6.709 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -1.155 -6.417 7.899 1.00 1.00 H new ATOM 204 N LEU A 214 -5.068 -6.535 5.848 1.00 1.00 N ATOM 205 CA LEU A 214 -6.182 -6.185 4.922 1.00 1.00 C ATOM 206 C LEU A 214 -5.663 -5.315 3.775 1.00 1.00 C ATOM 207 O LEU A 214 -5.074 -4.274 3.990 1.00 1.00 O ATOM 208 CB LEU A 214 -7.182 -5.405 5.776 1.00 1.00 C ATOM 209 CG LEU A 214 -8.567 -5.469 5.130 1.00 1.00 C ATOM 210 CD1 LEU A 214 -9.605 -5.851 6.186 1.00 1.00 C ATOM 211 CD2 LEU A 214 -8.918 -4.099 4.543 1.00 1.00 C ATOM 0 H LEU A 214 -4.408 -5.781 6.038 1.00 1.00 H new ATOM 0 HA LEU A 214 -6.635 -7.068 4.472 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -7.219 -5.822 6.782 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -6.862 -4.367 5.872 1.00 1.00 H new ATOM 0 HG LEU A 214 -8.564 -6.216 4.336 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -10.592 -5.897 5.726 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -9.355 -6.825 6.606 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -9.609 -5.104 6.980 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -9.905 -4.143 4.082 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -8.921 -3.353 5.337 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -8.178 -3.825 3.791 1.00 1.00 H new ATOM 223 N TRP A 215 -5.877 -5.735 2.560 1.00 1.00 N ATOM 224 CA TRP A 215 -5.400 -4.939 1.398 1.00 1.00 C ATOM 225 C TRP A 215 -6.358 -3.779 1.118 1.00 1.00 C ATOM 226 O TRP A 215 -7.563 -3.941 1.125 1.00 1.00 O ATOM 227 CB TRP A 215 -5.401 -5.915 0.226 1.00 1.00 C ATOM 228 CG TRP A 215 -4.354 -6.959 0.435 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.549 -8.140 1.066 1.00 1.00 C ATOM 230 CD2 TRP A 215 -2.958 -6.940 0.021 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.362 -8.851 1.056 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.351 -8.152 0.425 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.168 -5.999 -0.660 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.009 -8.422 0.159 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -0.815 -6.266 -0.929 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.239 -7.475 -0.521 1.00 1.00 C ATOM 0 H TRP A 215 -6.364 -6.599 2.322 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.416 -4.506 1.575 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.381 -6.383 0.132 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.213 -5.380 -0.705 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.478 -8.473 1.505 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.247 -9.778 1.465 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.604 -5.064 -0.979 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -0.568 -9.356 0.476 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.217 -5.535 -1.453 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.801 -7.676 -0.732 1.00 1.00 H new ATOM 247 N ARG A 216 -5.835 -2.614 0.861 1.00 1.00 N ATOM 248 CA ARG A 216 -6.719 -1.450 0.569 1.00 1.00 C ATOM 249 C ARG A 216 -6.299 -0.802 -0.752 1.00 1.00 C ATOM 250 O ARG A 216 -5.133 -0.559 -0.992 1.00 1.00 O ATOM 251 CB ARG A 216 -6.506 -0.486 1.738 1.00 1.00 C ATOM 252 CG ARG A 216 -7.761 0.367 1.934 1.00 1.00 C ATOM 253 CD ARG A 216 -8.789 -0.412 2.761 1.00 1.00 C ATOM 254 NE ARG A 216 -9.551 0.629 3.506 1.00 1.00 N ATOM 255 CZ ARG A 216 -10.839 0.497 3.681 1.00 1.00 C ATOM 256 NH1 ARG A 216 -11.623 0.328 2.652 1.00 1.00 N ATOM 257 NH2 ARG A 216 -11.341 0.536 4.885 1.00 1.00 N ATOM 0 H ARG A 216 -4.835 -2.416 0.840 1.00 1.00 H new ATOM 0 HA ARG A 216 -7.767 -1.734 0.468 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -6.288 -1.045 2.648 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -5.646 0.154 1.543 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -7.504 1.299 2.438 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -8.186 0.635 0.966 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -9.446 -1.000 2.121 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -8.301 -1.108 3.443 1.00 1.00 H new ATOM 0 HE ARG A 216 -9.067 1.445 3.880 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -11.230 0.299 1.711 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -12.629 0.225 2.788 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -10.728 0.670 5.689 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -12.347 0.433 5.022 1.00 1.00 H new ATOM 271 N ARG A 217 -7.236 -0.526 -1.616 1.00 1.00 N ATOM 272 CA ARG A 217 -6.885 0.097 -2.921 1.00 1.00 C ATOM 273 C ARG A 217 -6.898 1.621 -2.797 1.00 1.00 C ATOM 274 O ARG A 217 -7.352 2.169 -1.811 1.00 1.00 O ATOM 275 CB ARG A 217 -7.970 -0.373 -3.887 1.00 1.00 C ATOM 276 CG ARG A 217 -8.088 -1.895 -3.834 1.00 1.00 C ATOM 277 CD ARG A 217 -9.553 -2.297 -4.019 1.00 1.00 C ATOM 278 NE ARG A 217 -9.866 -1.965 -5.437 1.00 1.00 N ATOM 279 CZ ARG A 217 -11.037 -1.487 -5.755 1.00 1.00 C ATOM 280 NH1 ARG A 217 -11.348 -0.258 -5.444 1.00 1.00 N ATOM 281 NH2 ARG A 217 -11.901 -2.238 -6.383 1.00 1.00 N ATOM 0 H ARG A 217 -8.230 -0.705 -1.474 1.00 1.00 H new ATOM 0 HA ARG A 217 -5.888 -0.185 -3.261 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -8.925 0.084 -3.626 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.730 -0.053 -4.901 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -7.474 -2.346 -4.614 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -7.715 -2.267 -2.880 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -9.699 -3.359 -3.820 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -10.202 -1.752 -3.333 1.00 1.00 H new ATOM 0 HE ARG A 217 -9.163 -2.112 -6.161 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -10.675 0.329 -4.952 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -12.264 0.115 -5.693 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -11.660 -3.199 -6.625 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -12.817 -1.864 -6.631 1.00 1.00 H new ATOM 295 N ASP A 218 -6.400 2.310 -3.783 1.00 1.00 N ATOM 296 CA ASP A 218 -6.377 3.796 -3.718 1.00 1.00 C ATOM 297 C ASP A 218 -7.009 4.396 -4.977 1.00 1.00 C ATOM 298 O ASP A 218 -7.683 3.723 -5.730 1.00 1.00 O ATOM 299 CB ASP A 218 -4.895 4.167 -3.637 1.00 1.00 C ATOM 300 CG ASP A 218 -4.069 3.239 -4.534 1.00 1.00 C ATOM 301 OD1 ASP A 218 -3.989 2.064 -4.220 1.00 1.00 O ATOM 302 OD2 ASP A 218 -3.533 3.722 -5.518 1.00 1.00 O ATOM 0 H ASP A 218 -6.007 1.907 -4.634 1.00 1.00 H new ATOM 0 HA ASP A 218 -6.942 4.177 -2.868 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -4.754 5.203 -3.945 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -4.549 4.091 -2.606 1.00 1.00 H new ATOM 307 N ARG A 219 -6.794 5.662 -5.206 1.00 1.00 N ATOM 308 CA ARG A 219 -7.376 6.317 -6.410 1.00 1.00 C ATOM 309 C ARG A 219 -7.011 5.537 -7.672 1.00 1.00 C ATOM 310 O ARG A 219 -7.757 5.503 -8.632 1.00 1.00 O ATOM 311 CB ARG A 219 -6.738 7.705 -6.448 1.00 1.00 C ATOM 312 CG ARG A 219 -7.794 8.766 -6.136 1.00 1.00 C ATOM 313 CD ARG A 219 -7.930 8.925 -4.619 1.00 1.00 C ATOM 314 NE ARG A 219 -8.936 10.006 -4.435 1.00 1.00 N ATOM 315 CZ ARG A 219 -8.758 10.914 -3.512 1.00 1.00 C ATOM 316 NH1 ARG A 219 -8.008 11.953 -3.756 1.00 1.00 N ATOM 317 NH2 ARG A 219 -9.332 10.779 -2.348 1.00 1.00 N ATOM 0 H ARG A 219 -6.238 6.273 -4.608 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.464 6.361 -6.366 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -5.926 7.762 -5.723 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -6.303 7.889 -7.430 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.513 9.717 -6.588 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.752 8.478 -6.569 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -8.259 7.996 -4.152 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -6.977 9.191 -4.163 1.00 1.00 H new ATOM 0 HE ARG A 219 -9.764 10.038 -5.029 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -7.561 12.057 -4.667 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -7.869 12.662 -3.036 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -9.918 9.966 -2.160 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -9.194 11.487 -1.626 1.00 1.00 H new ATOM 331 N THR A 220 -5.864 4.915 -7.686 1.00 1.00 N ATOM 332 CA THR A 220 -5.452 4.147 -8.893 1.00 1.00 C ATOM 333 C THR A 220 -5.942 2.700 -8.796 1.00 1.00 C ATOM 334 O THR A 220 -6.282 2.083 -9.786 1.00 1.00 O ATOM 335 CB THR A 220 -3.925 4.207 -8.897 1.00 1.00 C ATOM 336 OG1 THR A 220 -3.417 3.380 -7.859 1.00 1.00 O ATOM 337 CG2 THR A 220 -3.474 5.653 -8.671 1.00 1.00 C ATOM 0 H THR A 220 -5.196 4.906 -6.915 1.00 1.00 H new ATOM 0 HA THR A 220 -5.875 4.557 -9.810 1.00 1.00 H new ATOM 0 HB THR A 220 -3.547 3.855 -9.857 1.00 1.00 H new ATOM 0 HG1 THR A 220 -3.518 3.837 -6.998 1.00 1.00 H new ATOM 0 HG21 THR A 220 -2.385 5.699 -8.673 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.866 6.285 -9.468 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.850 6.006 -7.711 1.00 1.00 H new ATOM 345 N GLY A 221 -5.989 2.154 -7.611 1.00 1.00 N ATOM 346 CA GLY A 221 -6.468 0.757 -7.457 1.00 1.00 C ATOM 347 C GLY A 221 -5.314 -0.160 -7.043 1.00 1.00 C ATOM 348 O GLY A 221 -5.398 -1.366 -7.167 1.00 1.00 O ATOM 0 H GLY A 221 -5.716 2.618 -6.745 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.259 0.717 -6.708 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -6.900 0.408 -8.395 1.00 1.00 H new ATOM 352 N HIS A 222 -4.239 0.389 -6.545 1.00 1.00 N ATOM 353 CA HIS A 222 -3.098 -0.476 -6.127 1.00 1.00 C ATOM 354 C HIS A 222 -3.486 -1.275 -4.878 1.00 1.00 C ATOM 355 O HIS A 222 -4.642 -1.343 -4.512 1.00 1.00 O ATOM 356 CB HIS A 222 -1.948 0.486 -5.824 1.00 1.00 C ATOM 357 CG HIS A 222 -1.439 1.074 -7.111 1.00 1.00 C ATOM 358 ND1 HIS A 222 -1.226 2.436 -7.268 1.00 1.00 N ATOM 359 CD2 HIS A 222 -1.101 0.501 -8.313 1.00 1.00 C ATOM 360 CE1 HIS A 222 -0.781 2.633 -8.523 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.685 1.487 -9.202 1.00 1.00 N ATOM 0 H HIS A 222 -4.102 1.391 -6.410 1.00 1.00 H new ATOM 0 HA HIS A 222 -2.819 -1.197 -6.895 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.288 1.279 -5.158 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.145 -0.040 -5.309 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.151 -0.555 -8.534 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -0.532 3.601 -8.932 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -0.374 1.362 -10.165 1.00 1.00 H new ATOM 369 N TYR A 223 -2.537 -1.892 -4.231 1.00 1.00 N ATOM 370 CA TYR A 223 -2.863 -2.696 -3.021 1.00 1.00 C ATOM 371 C TYR A 223 -1.755 -2.570 -1.970 1.00 1.00 C ATOM 372 O TYR A 223 -1.055 -3.518 -1.684 1.00 1.00 O ATOM 373 CB TYR A 223 -2.949 -4.130 -3.535 1.00 1.00 C ATOM 374 CG TYR A 223 -4.370 -4.442 -3.930 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.425 -4.097 -3.075 1.00 1.00 C ATOM 376 CD2 TYR A 223 -4.635 -5.078 -5.146 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.743 -4.388 -3.438 1.00 1.00 C ATOM 378 CE2 TYR A 223 -5.955 -5.371 -5.510 1.00 1.00 C ATOM 379 CZ TYR A 223 -7.009 -5.025 -4.656 1.00 1.00 C ATOM 380 OH TYR A 223 -8.310 -5.312 -5.016 1.00 1.00 O ATOM 0 H TYR A 223 -1.550 -1.874 -4.488 1.00 1.00 H new ATOM 0 HA TYR A 223 -3.783 -2.366 -2.539 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.286 -4.261 -4.390 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.615 -4.824 -2.764 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -5.220 -3.606 -2.135 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -3.822 -5.344 -5.805 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -7.556 -4.122 -2.779 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -6.160 -5.864 -6.449 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.318 -5.753 -5.891 1.00 1.00 H new ATOM 390 N LEU A 224 -1.594 -1.413 -1.390 1.00 1.00 N ATOM 391 CA LEU A 224 -0.527 -1.244 -0.359 1.00 1.00 C ATOM 392 C LEU A 224 -0.711 -2.258 0.773 1.00 1.00 C ATOM 393 O LEU A 224 -1.696 -2.968 0.832 1.00 1.00 O ATOM 394 CB LEU A 224 -0.697 0.181 0.171 1.00 1.00 C ATOM 395 CG LEU A 224 0.460 1.048 -0.320 1.00 1.00 C ATOM 396 CD1 LEU A 224 0.449 1.092 -1.847 1.00 1.00 C ATOM 397 CD2 LEU A 224 0.304 2.467 0.233 1.00 1.00 C ATOM 0 H LEU A 224 -2.151 -0.580 -1.583 1.00 1.00 H new ATOM 0 HA LEU A 224 0.467 -1.408 -0.775 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -1.646 0.596 -0.169 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -0.724 0.174 1.261 1.00 1.00 H new ATOM 0 HG LEU A 224 1.404 0.626 0.025 1.00 1.00 H new ATOM 0 HD11 LEU A 224 1.274 1.711 -2.199 1.00 1.00 H new ATOM 0 HD12 LEU A 224 0.559 0.082 -2.241 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.494 1.515 -2.192 1.00 1.00 H new ATOM 0 HD21 LEU A 224 1.130 3.087 -0.117 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -0.639 2.890 -0.112 1.00 1.00 H new ATOM 0 HD23 LEU A 224 0.310 2.436 1.323 1.00 1.00 H new ATOM 409 N CYS A 225 0.232 -2.328 1.671 1.00 1.00 N ATOM 410 CA CYS A 225 0.120 -3.293 2.803 1.00 1.00 C ATOM 411 C CYS A 225 -0.178 -2.547 4.108 1.00 1.00 C ATOM 412 O CYS A 225 0.367 -2.857 5.149 1.00 1.00 O ATOM 413 CB CYS A 225 1.486 -3.978 2.873 1.00 1.00 C ATOM 414 SG CYS A 225 2.714 -2.817 3.523 1.00 1.00 S ATOM 0 H CYS A 225 1.078 -1.758 1.671 1.00 1.00 H new ATOM 0 HA CYS A 225 -0.688 -4.010 2.658 1.00 1.00 H new ATOM 0 HB2 CYS A 225 1.430 -4.859 3.512 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.783 -4.321 1.882 1.00 1.00 H new ATOM 419 N ASN A 226 -1.038 -1.565 4.062 1.00 1.00 N ATOM 420 CA ASN A 226 -1.368 -0.799 5.302 1.00 1.00 C ATOM 421 C ASN A 226 -0.167 0.044 5.743 1.00 1.00 C ATOM 422 O ASN A 226 -0.227 1.258 5.774 1.00 1.00 O ATOM 423 CB ASN A 226 -1.690 -1.862 6.354 1.00 1.00 C ATOM 424 CG ASN A 226 -3.023 -1.531 7.028 1.00 1.00 C ATOM 425 OD1 ASN A 226 -3.935 -1.042 6.392 1.00 1.00 O ATOM 426 ND2 ASN A 226 -3.175 -1.779 8.300 1.00 1.00 N ATOM 0 H ASN A 226 -1.527 -1.259 3.221 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.199 -0.111 5.149 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -1.741 -2.846 5.887 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -0.895 -1.904 7.099 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -4.059 -1.562 8.760 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -2.409 -2.190 8.835 1.00 1.00 H new ATOM 433 N ALA A 227 0.922 -0.588 6.091 1.00 1.00 N ATOM 434 CA ALA A 227 2.123 0.178 6.537 1.00 1.00 C ATOM 435 C ALA A 227 2.509 1.232 5.497 1.00 1.00 C ATOM 436 O ALA A 227 2.894 2.335 5.830 1.00 1.00 O ATOM 437 CB ALA A 227 3.231 -0.868 6.676 1.00 1.00 C ATOM 0 H ALA A 227 1.032 -1.602 6.086 1.00 1.00 H new ATOM 0 HA ALA A 227 1.942 0.712 7.470 1.00 1.00 H new ATOM 0 HB1 ALA A 227 4.151 -0.382 7.002 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.935 -1.616 7.412 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.397 -1.352 5.714 1.00 1.00 H new ATOM 443 N CYS A 228 2.410 0.904 4.241 1.00 1.00 N ATOM 444 CA CYS A 228 2.773 1.888 3.183 1.00 1.00 C ATOM 445 C CYS A 228 1.638 2.896 2.984 1.00 1.00 C ATOM 446 O CYS A 228 1.831 3.967 2.445 1.00 1.00 O ATOM 447 CB CYS A 228 2.981 1.058 1.924 1.00 1.00 C ATOM 448 SG CYS A 228 4.524 0.116 2.060 1.00 1.00 S ATOM 0 H CYS A 228 2.093 -0.003 3.900 1.00 1.00 H new ATOM 0 HA CYS A 228 3.663 2.462 3.442 1.00 1.00 H new ATOM 0 HB2 CYS A 228 2.140 0.379 1.782 1.00 1.00 H new ATOM 0 HB3 CYS A 228 3.017 1.708 1.050 1.00 1.00 H new ATOM 453 N GLY A 229 0.454 2.562 3.420 1.00 1.00 N ATOM 454 CA GLY A 229 -0.691 3.499 3.258 1.00 1.00 C ATOM 455 C GLY A 229 -0.675 4.523 4.395 1.00 1.00 C ATOM 456 O GLY A 229 -1.311 5.555 4.326 1.00 1.00 O ATOM 0 H GLY A 229 0.231 1.680 3.881 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.626 4.007 2.296 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.631 2.947 3.264 1.00 1.00 H new ATOM 460 N LEU A 230 0.052 4.243 5.444 1.00 1.00 N ATOM 461 CA LEU A 230 0.117 5.198 6.588 1.00 1.00 C ATOM 462 C LEU A 230 0.228 6.635 6.076 1.00 1.00 C ATOM 463 O LEU A 230 -0.423 7.534 6.571 1.00 1.00 O ATOM 464 CB LEU A 230 1.379 4.809 7.352 1.00 1.00 C ATOM 465 CG LEU A 230 1.036 4.571 8.823 1.00 1.00 C ATOM 466 CD1 LEU A 230 2.252 3.979 9.541 1.00 1.00 C ATOM 467 CD2 LEU A 230 0.660 5.900 9.479 1.00 1.00 C ATOM 0 H LEU A 230 0.604 3.393 5.558 1.00 1.00 H new ATOM 0 HA LEU A 230 -0.774 5.152 7.214 1.00 1.00 H new ATOM 0 HB2 LEU A 230 1.815 3.908 6.920 1.00 1.00 H new ATOM 0 HB3 LEU A 230 2.126 5.598 7.265 1.00 1.00 H new ATOM 0 HG LEU A 230 0.197 3.878 8.893 1.00 1.00 H new ATOM 0 HD11 LEU A 230 2.008 3.809 10.590 1.00 1.00 H new ATOM 0 HD12 LEU A 230 2.525 3.033 9.074 1.00 1.00 H new ATOM 0 HD13 LEU A 230 3.089 4.673 9.471 1.00 1.00 H new ATOM 0 HD21 LEU A 230 0.415 5.732 10.528 1.00 1.00 H new ATOM 0 HD22 LEU A 230 1.500 6.591 9.409 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -0.204 6.326 8.969 1.00 1.00 H new ATOM 479 N TYR A 231 1.048 6.858 5.086 1.00 1.00 N ATOM 480 CA TYR A 231 1.205 8.237 4.541 1.00 1.00 C ATOM 481 C TYR A 231 -0.137 8.755 4.013 1.00 1.00 C ATOM 482 O TYR A 231 -0.530 9.873 4.282 1.00 1.00 O ATOM 483 CB TYR A 231 2.213 8.093 3.399 1.00 1.00 C ATOM 484 CG TYR A 231 3.007 9.369 3.259 1.00 1.00 C ATOM 485 CD1 TYR A 231 2.374 10.551 2.852 1.00 1.00 C ATOM 486 CD2 TYR A 231 4.379 9.371 3.539 1.00 1.00 C ATOM 487 CE1 TYR A 231 3.115 11.732 2.724 1.00 1.00 C ATOM 488 CE2 TYR A 231 5.119 10.552 3.411 1.00 1.00 C ATOM 489 CZ TYR A 231 4.487 11.733 3.002 1.00 1.00 C ATOM 490 OH TYR A 231 5.216 12.897 2.875 1.00 1.00 O ATOM 0 H TYR A 231 1.617 6.144 4.630 1.00 1.00 H new ATOM 0 HA TYR A 231 1.541 8.947 5.297 1.00 1.00 H new ATOM 0 HB2 TYR A 231 2.883 7.256 3.595 1.00 1.00 H new ATOM 0 HB3 TYR A 231 1.693 7.873 2.467 1.00 1.00 H new ATOM 0 HD1 TYR A 231 1.316 10.551 2.637 1.00 1.00 H new ATOM 0 HD2 TYR A 231 4.867 8.460 3.854 1.00 1.00 H new ATOM 0 HE1 TYR A 231 2.628 12.643 2.410 1.00 1.00 H new ATOM 0 HE2 TYR A 231 6.177 10.553 3.628 1.00 1.00 H new ATOM 0 HH TYR A 231 6.152 12.724 3.107 1.00 1.00 H new ATOM 500 N HIS A 232 -0.840 7.952 3.261 1.00 1.00 N ATOM 501 CA HIS A 232 -2.151 8.397 2.713 1.00 1.00 C ATOM 502 C HIS A 232 -3.170 8.583 3.841 1.00 1.00 C ATOM 503 O HIS A 232 -4.219 9.164 3.652 1.00 1.00 O ATOM 504 CB HIS A 232 -2.590 7.269 1.778 1.00 1.00 C ATOM 505 CG HIS A 232 -3.532 7.814 0.740 1.00 1.00 C ATOM 506 ND1 HIS A 232 -3.311 8.447 -0.459 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -4.910 7.733 0.876 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -4.528 8.755 -1.058 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -5.458 8.304 -0.212 1.00 1.00 N flip ATOM 0 H HIS A 232 -0.561 7.005 3.003 1.00 1.00 H new ATOM 0 HA HIS A 232 -2.076 9.354 2.197 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -1.720 6.823 1.296 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -3.079 6.479 2.349 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -5.445 7.292 1.704 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -4.687 9.252 -2.004 1.00 1.00 H new ATOM 0 HE2 HIS A 232 -6.462 8.383 -0.372 1.00 1.00 H new ATOM 517 N LYS A 233 -2.872 8.090 5.012 1.00 1.00 N ATOM 518 CA LYS A 233 -3.830 8.235 6.147 1.00 1.00 C ATOM 519 C LYS A 233 -3.722 9.632 6.767 1.00 1.00 C ATOM 520 O LYS A 233 -4.714 10.297 6.994 1.00 1.00 O ATOM 521 CB LYS A 233 -3.409 7.169 7.157 1.00 1.00 C ATOM 522 CG LYS A 233 -3.695 5.779 6.584 1.00 1.00 C ATOM 523 CD LYS A 233 -3.810 4.768 7.724 1.00 1.00 C ATOM 524 CE LYS A 233 -5.257 4.282 7.833 1.00 1.00 C ATOM 525 NZ LYS A 233 -5.156 2.896 8.374 1.00 1.00 N ATOM 0 H LYS A 233 -2.009 7.594 5.233 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.865 8.113 5.827 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -2.348 7.268 7.385 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -3.950 7.306 8.093 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -4.619 5.796 6.005 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -2.897 5.484 5.902 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -3.145 3.924 7.544 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -3.497 5.226 8.663 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -5.840 4.923 8.494 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -5.751 4.292 6.862 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -6.109 2.493 8.478 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -4.601 2.308 7.720 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -4.687 2.919 9.302 1.00 1.00 H new ATOM 539 N MET A 234 -2.530 10.080 7.049 1.00 1.00 N ATOM 540 CA MET A 234 -2.366 11.428 7.663 1.00 1.00 C ATOM 541 C MET A 234 -2.051 12.469 6.588 1.00 1.00 C ATOM 542 O MET A 234 -2.778 13.426 6.404 1.00 1.00 O ATOM 543 CB MET A 234 -1.189 11.276 8.625 1.00 1.00 C ATOM 544 CG MET A 234 -1.617 10.422 9.820 1.00 1.00 C ATOM 545 SD MET A 234 -0.853 11.065 11.329 1.00 1.00 S ATOM 546 CE MET A 234 -2.135 10.516 12.483 1.00 1.00 C ATOM 0 H MET A 234 -1.662 9.571 6.881 1.00 1.00 H new ATOM 0 HA MET A 234 -3.270 11.765 8.169 1.00 1.00 H new ATOM 0 HB2 MET A 234 -0.346 10.811 8.115 1.00 1.00 H new ATOM 0 HB3 MET A 234 -0.854 12.256 8.965 1.00 1.00 H new ATOM 0 HG2 MET A 234 -2.703 10.432 9.917 1.00 1.00 H new ATOM 0 HG3 MET A 234 -1.321 9.385 9.664 1.00 1.00 H new ATOM 0 HE1 MET A 234 -1.864 10.813 13.496 1.00 1.00 H new ATOM 0 HE2 MET A 234 -3.087 10.973 12.213 1.00 1.00 H new ATOM 0 HE3 MET A 234 -2.227 9.431 12.435 1.00 1.00 H new ATOM 556 N ASN A 235 -0.976 12.291 5.880 1.00 1.00 N ATOM 557 CA ASN A 235 -0.608 13.270 4.817 1.00 1.00 C ATOM 558 C ASN A 235 -1.590 13.179 3.650 1.00 1.00 C ATOM 559 O ASN A 235 -1.873 14.156 2.983 1.00 1.00 O ATOM 560 CB ASN A 235 0.797 12.861 4.372 1.00 1.00 C ATOM 561 CG ASN A 235 1.836 13.536 5.268 1.00 1.00 C ATOM 562 OD1 ASN A 235 2.120 14.707 5.113 1.00 1.00 O ATOM 563 ND2 ASN A 235 2.419 12.842 6.206 1.00 1.00 N ATOM 0 H ASN A 235 -0.332 11.508 5.989 1.00 1.00 H new ATOM 0 HA ASN A 235 -0.638 14.299 5.175 1.00 1.00 H new ATOM 0 HB2 ASN A 235 0.905 11.778 4.425 1.00 1.00 H new ATOM 0 HB3 ASN A 235 0.958 13.147 3.333 1.00 1.00 H new ATOM 0 HD21 ASN A 235 3.113 13.282 6.809 1.00 1.00 H new ATOM 0 HD22 ASN A 235 2.180 11.859 6.336 1.00 1.00 H new ATOM 570 N GLY A 236 -2.116 12.013 3.396 1.00 1.00 N ATOM 571 CA GLY A 236 -3.080 11.856 2.277 1.00 1.00 C ATOM 572 C GLY A 236 -2.325 11.560 0.978 1.00 1.00 C ATOM 573 O GLY A 236 -2.838 10.911 0.088 1.00 1.00 O ATOM 0 H GLY A 236 -1.917 11.160 3.919 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -3.776 11.046 2.496 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -3.672 12.764 2.165 1.00 1.00 H new ATOM 577 N GLN A 237 -1.113 12.028 0.860 1.00 1.00 N ATOM 578 CA GLN A 237 -0.330 11.770 -0.382 1.00 1.00 C ATOM 579 C GLN A 237 0.278 10.364 -0.342 1.00 1.00 C ATOM 580 O GLN A 237 0.015 9.589 0.556 1.00 1.00 O ATOM 581 CB GLN A 237 0.767 12.834 -0.386 1.00 1.00 C ATOM 582 CG GLN A 237 0.131 14.221 -0.282 1.00 1.00 C ATOM 583 CD GLN A 237 1.223 15.292 -0.362 1.00 1.00 C ATOM 584 OE1 GLN A 237 1.344 16.119 0.520 1.00 1.00 O ATOM 585 NE2 GLN A 237 2.028 15.311 -1.389 1.00 1.00 N ATOM 0 H GLN A 237 -0.630 12.578 1.570 1.00 1.00 H new ATOM 0 HA GLN A 237 -0.947 11.821 -1.279 1.00 1.00 H new ATOM 0 HB2 GLN A 237 1.449 12.671 0.448 1.00 1.00 H new ATOM 0 HB3 GLN A 237 1.357 12.760 -1.300 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -0.591 14.363 -1.086 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -0.415 14.313 0.657 1.00 1.00 H new ATOM 0 HE21 GLN A 237 1.927 14.617 -2.129 1.00 1.00 H new ATOM 0 HE22 GLN A 237 2.759 16.020 -1.451 1.00 1.00 H new ATOM 594 N ASN A 238 1.090 10.030 -1.309 1.00 1.00 N ATOM 595 CA ASN A 238 1.712 8.675 -1.324 1.00 1.00 C ATOM 596 C ASN A 238 3.116 8.729 -0.713 1.00 1.00 C ATOM 597 O ASN A 238 3.597 9.777 -0.331 1.00 1.00 O ATOM 598 CB ASN A 238 1.786 8.292 -2.802 1.00 1.00 C ATOM 599 CG ASN A 238 0.409 7.821 -3.278 1.00 1.00 C ATOM 600 OD1 ASN A 238 -0.093 8.290 -4.279 1.00 1.00 O ATOM 601 ND2 ASN A 238 -0.225 6.908 -2.595 1.00 1.00 N ATOM 0 H ASN A 238 1.349 10.636 -2.088 1.00 1.00 H new ATOM 0 HA ASN A 238 1.141 7.952 -0.742 1.00 1.00 H new ATOM 0 HB2 ASN A 238 2.114 9.146 -3.394 1.00 1.00 H new ATOM 0 HB3 ASN A 238 2.523 7.502 -2.947 1.00 1.00 H new ATOM 0 HD21 ASN A 238 -1.143 6.587 -2.902 1.00 1.00 H new ATOM 0 HD22 ASN A 238 0.198 6.515 -1.754 1.00 1.00 H new ATOM 608 N ARG A 239 3.778 7.607 -0.620 1.00 1.00 N ATOM 609 CA ARG A 239 5.148 7.597 -0.031 1.00 1.00 C ATOM 610 C ARG A 239 6.202 7.676 -1.140 1.00 1.00 C ATOM 611 O ARG A 239 5.912 7.427 -2.294 1.00 1.00 O ATOM 612 CB ARG A 239 5.251 6.270 0.718 1.00 1.00 C ATOM 613 CG ARG A 239 5.159 6.525 2.224 1.00 1.00 C ATOM 614 CD ARG A 239 4.806 5.223 2.945 1.00 1.00 C ATOM 615 NE ARG A 239 4.387 5.642 4.312 1.00 1.00 N ATOM 616 CZ ARG A 239 5.267 6.124 5.146 1.00 1.00 C ATOM 617 NH1 ARG A 239 6.491 5.670 5.139 1.00 1.00 N ATOM 618 NH2 ARG A 239 4.924 7.061 5.986 1.00 1.00 N ATOM 0 H ARG A 239 3.430 6.698 -0.926 1.00 1.00 H new ATOM 0 HA ARG A 239 5.319 8.448 0.629 1.00 1.00 H new ATOM 0 HB2 ARG A 239 4.452 5.599 0.403 1.00 1.00 H new ATOM 0 HB3 ARG A 239 6.193 5.777 0.479 1.00 1.00 H new ATOM 0 HG2 ARG A 239 6.107 6.913 2.596 1.00 1.00 H new ATOM 0 HG3 ARG A 239 4.403 7.283 2.429 1.00 1.00 H new ATOM 0 HD2 ARG A 239 4.004 4.692 2.432 1.00 1.00 H new ATOM 0 HD3 ARG A 239 5.661 4.548 2.984 1.00 1.00 H new ATOM 0 HE ARG A 239 3.411 5.552 4.596 1.00 1.00 H new ATOM 0 HH11 ARG A 239 6.760 4.938 4.481 1.00 1.00 H new ATOM 0 HH12 ARG A 239 7.179 6.047 5.791 1.00 1.00 H new ATOM 0 HH21 ARG A 239 3.968 7.417 5.991 1.00 1.00 H new ATOM 0 HH22 ARG A 239 5.612 7.438 6.638 1.00 1.00 H new ATOM 632 N PRO A 240 7.396 8.026 -0.746 1.00 1.00 N ATOM 633 CA PRO A 240 8.516 8.147 -1.711 1.00 1.00 C ATOM 634 C PRO A 240 8.982 6.765 -2.185 1.00 1.00 C ATOM 635 O PRO A 240 8.572 6.287 -3.224 1.00 1.00 O ATOM 636 CB PRO A 240 9.606 8.849 -0.903 1.00 1.00 C ATOM 637 CG PRO A 240 9.298 8.536 0.526 1.00 1.00 C ATOM 638 CD PRO A 240 7.808 8.338 0.627 1.00 1.00 C ATOM 0 HA PRO A 240 8.243 8.691 -2.616 1.00 1.00 H new ATOM 0 HB2 PRO A 240 10.596 8.488 -1.181 1.00 1.00 H new ATOM 0 HB3 PRO A 240 9.597 9.924 -1.081 1.00 1.00 H new ATOM 0 HG2 PRO A 240 9.828 7.639 0.846 1.00 1.00 H new ATOM 0 HG3 PRO A 240 9.623 9.348 1.177 1.00 1.00 H new ATOM 0 HD2 PRO A 240 7.559 7.528 1.312 1.00 1.00 H new ATOM 0 HD3 PRO A 240 7.311 9.234 0.999 1.00 1.00 H new ATOM 646 N LEU A 241 9.842 6.125 -1.438 1.00 1.00 N ATOM 647 CA LEU A 241 10.341 4.778 -1.849 1.00 1.00 C ATOM 648 C LEU A 241 11.126 4.882 -3.160 1.00 1.00 C ATOM 649 O LEU A 241 11.430 5.962 -3.629 1.00 1.00 O ATOM 650 CB LEU A 241 9.088 3.920 -2.037 1.00 1.00 C ATOM 651 CG LEU A 241 8.166 4.087 -0.829 1.00 1.00 C ATOM 652 CD1 LEU A 241 6.831 3.392 -1.104 1.00 1.00 C ATOM 653 CD2 LEU A 241 8.821 3.457 0.403 1.00 1.00 C ATOM 0 H LEU A 241 10.222 6.477 -0.559 1.00 1.00 H new ATOM 0 HA LEU A 241 11.015 4.348 -1.108 1.00 1.00 H new ATOM 0 HB2 LEU A 241 8.567 4.214 -2.948 1.00 1.00 H new ATOM 0 HB3 LEU A 241 9.366 2.872 -2.153 1.00 1.00 H new ATOM 0 HG LEU A 241 7.994 5.148 -0.649 1.00 1.00 H new ATOM 0 HD11 LEU A 241 6.174 3.512 -0.242 1.00 1.00 H new ATOM 0 HD12 LEU A 241 6.363 3.838 -1.982 1.00 1.00 H new ATOM 0 HD13 LEU A 241 7.004 2.331 -1.284 1.00 1.00 H new ATOM 0 HD21 LEU A 241 8.164 3.576 1.265 1.00 1.00 H new ATOM 0 HD22 LEU A 241 8.993 2.396 0.221 1.00 1.00 H new ATOM 0 HD23 LEU A 241 9.773 3.950 0.601 1.00 1.00 H new ATOM 665 N ILE A 242 11.459 3.769 -3.754 1.00 1.00 N ATOM 666 CA ILE A 242 12.228 3.802 -5.026 1.00 1.00 C ATOM 667 C ILE A 242 11.276 3.853 -6.225 1.00 1.00 C ATOM 668 O ILE A 242 10.258 3.189 -6.251 1.00 1.00 O ATOM 669 CB ILE A 242 13.033 2.503 -5.034 1.00 1.00 C ATOM 670 CG1 ILE A 242 14.134 2.579 -3.973 1.00 1.00 C ATOM 671 CG2 ILE A 242 13.667 2.302 -6.412 1.00 1.00 C ATOM 672 CD1 ILE A 242 13.654 1.902 -2.688 1.00 1.00 C ATOM 0 H ILE A 242 11.230 2.836 -3.411 1.00 1.00 H new ATOM 0 HA ILE A 242 12.869 4.681 -5.097 1.00 1.00 H new ATOM 0 HB ILE A 242 12.371 1.665 -4.813 1.00 1.00 H new ATOM 0 HG12 ILE A 242 15.038 2.092 -4.337 1.00 1.00 H new ATOM 0 HG13 ILE A 242 14.391 3.620 -3.774 1.00 1.00 H new ATOM 0 HG21 ILE A 242 14.241 1.375 -6.417 1.00 1.00 H new ATOM 0 HG22 ILE A 242 12.884 2.248 -7.168 1.00 1.00 H new ATOM 0 HG23 ILE A 242 14.328 3.140 -6.634 1.00 1.00 H new ATOM 0 HD11 ILE A 242 14.438 1.957 -1.933 1.00 1.00 H new ATOM 0 HD12 ILE A 242 12.762 2.409 -2.321 1.00 1.00 H new ATOM 0 HD13 ILE A 242 13.420 0.857 -2.893 1.00 1.00 H new ATOM 684 N ARG A 243 11.600 4.639 -7.216 1.00 1.00 N ATOM 685 CA ARG A 243 10.715 4.735 -8.412 1.00 1.00 C ATOM 686 C ARG A 243 10.450 3.342 -8.990 1.00 1.00 C ATOM 687 O ARG A 243 11.332 2.505 -8.896 1.00 1.00 O ATOM 688 CB ARG A 243 11.492 5.588 -9.411 1.00 1.00 C ATOM 689 CG ARG A 243 10.747 6.903 -9.648 1.00 1.00 C ATOM 690 CD ARG A 243 11.562 7.785 -10.598 1.00 1.00 C ATOM 691 NE ARG A 243 11.101 9.175 -10.323 1.00 1.00 N ATOM 692 CZ ARG A 243 9.894 9.540 -10.658 1.00 1.00 C ATOM 693 NH1 ARG A 243 9.637 9.896 -11.886 1.00 1.00 N ATOM 694 NH2 ARG A 243 8.944 9.547 -9.763 1.00 1.00 N ATOM 695 OXT ARG A 243 9.370 3.137 -9.520 1.00 0.00 O ATOM 0 H ARG A 243 12.439 5.218 -7.249 1.00 1.00 H new ATOM 0 HA ARG A 243 9.744 5.169 -8.172 1.00 1.00 H new ATOM 0 HB2 ARG A 243 12.494 5.789 -9.032 1.00 1.00 H new ATOM 0 HB3 ARG A 243 11.609 5.049 -10.351 1.00 1.00 H new ATOM 0 HG2 ARG A 243 9.763 6.705 -10.072 1.00 1.00 H new ATOM 0 HG3 ARG A 243 10.588 7.419 -8.701 1.00 1.00 H new ATOM 0 HD2 ARG A 243 12.631 7.680 -10.414 1.00 1.00 H new ATOM 0 HD3 ARG A 243 11.389 7.510 -11.638 1.00 1.00 H new ATOM 0 HE ARG A 243 11.729 9.841 -9.873 1.00 1.00 H new ATOM 0 HH11 ARG A 243 10.380 9.889 -12.585 1.00 1.00 H new ATOM 0 HH12 ARG A 243 8.693 10.181 -12.147 1.00 1.00 H new ATOM 0 HH21 ARG A 243 9.146 9.267 -8.803 1.00 1.00 H new ATOM 0 HH22 ARG A 243 8.000 9.832 -10.024 1.00 1.00 H new TER 709 ARG A 243 HETATM 710 ZN ZN A 244 3.960 -2.086 1.734 1.00 1.00 ZN