USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 476 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 212 CYS SG : rot 180:sc= 0.0658! USER MOD Set 1.2: A 242 CYS SG : rot 116:sc= 1.03 USER MOD Single : A 187 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 189 MET CE :methyl -175:sc= 0 (180deg=-0.0273) USER MOD Single : A 194 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.8) USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 199 CYS SG : rot -160:sc= -1.03 USER MOD Single : A 202 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.22) USER MOD Single : A 203 GLN : amide:sc= 0.309 X(o=0.31,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 209 MET CE :methyl 171:sc= 0 (180deg=-0.0492) USER MOD Single : A 218 SER OG : rot -30:sc= 0.35 USER MOD Single : A 223 HIS : no HD1:sc= -0.706 X(o=-0.71,f=-0.27) USER MOD Single : A 230 THR OG1 : rot -35:sc= 0.218 USER MOD Single : A 231 THR OG1 : rot -58:sc= 0.0692 USER MOD Single : A 232 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0297) USER MOD Single : A 236 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.45) USER MOD Single : A 243 SER OG : rot -78:sc= 0.518 USER MOD Single : A 244 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00453) USER MOD Single : A 249 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 187 -27.025 15.790 -17.278 1.00 0.00 N ATOM 2 CA MET A 187 -26.821 15.558 -15.836 1.00 0.00 C ATOM 3 C MET A 187 -25.882 14.370 -15.634 1.00 0.00 C ATOM 4 O MET A 187 -24.696 14.580 -15.387 1.00 0.00 O ATOM 5 CB MET A 187 -28.155 15.387 -15.089 1.00 0.00 C ATOM 6 CG MET A 187 -28.961 16.691 -15.069 1.00 0.00 C ATOM 7 SD MET A 187 -30.539 16.558 -14.189 1.00 0.00 S ATOM 8 CE MET A 187 -31.140 18.254 -14.395 1.00 0.00 C ATOM 0 HA MET A 187 -26.350 16.440 -15.402 1.00 0.00 H new ATOM 0 HB2 MET A 187 -28.742 14.603 -15.567 1.00 0.00 H new ATOM 0 HB3 MET A 187 -27.961 15.062 -14.067 1.00 0.00 H new ATOM 0 HG2 MET A 187 -28.360 17.472 -14.603 1.00 0.00 H new ATOM 0 HG3 MET A 187 -29.153 17.005 -16.095 1.00 0.00 H new ATOM 0 HE1 MET A 187 -32.111 18.357 -13.911 1.00 0.00 H new ATOM 0 HE2 MET A 187 -30.433 18.948 -13.941 1.00 0.00 H new ATOM 0 HE3 MET A 187 -31.238 18.479 -15.457 1.00 0.00 H new ATOM 20 N ASP A 188 -26.403 13.141 -15.763 1.00 0.00 N ATOM 21 CA ASP A 188 -25.633 11.904 -15.680 1.00 0.00 C ATOM 22 C ASP A 188 -24.655 11.790 -16.856 1.00 0.00 C ATOM 23 O ASP A 188 -24.982 12.173 -17.981 1.00 0.00 O ATOM 24 CB ASP A 188 -26.596 10.708 -15.675 1.00 0.00 C ATOM 25 CG ASP A 188 -27.581 10.774 -14.507 1.00 0.00 C ATOM 26 OD1 ASP A 188 -27.226 10.248 -13.429 1.00 0.00 O ATOM 27 OD2 ASP A 188 -28.665 11.366 -14.708 1.00 0.00 O ATOM 0 H ASP A 188 -27.396 12.982 -15.932 1.00 0.00 H new ATOM 0 HA ASP A 188 -25.052 11.910 -14.758 1.00 0.00 H new ATOM 0 HB2 ASP A 188 -27.148 10.682 -16.614 1.00 0.00 H new ATOM 0 HB3 ASP A 188 -26.024 9.782 -15.616 1.00 0.00 H new ATOM 32 N MET A 189 -23.469 11.229 -16.583 1.00 0.00 N ATOM 33 CA MET A 189 -22.400 11.015 -17.559 1.00 0.00 C ATOM 34 C MET A 189 -21.706 9.672 -17.256 1.00 0.00 C ATOM 35 O MET A 189 -20.601 9.660 -16.710 1.00 0.00 O ATOM 36 CB MET A 189 -21.417 12.201 -17.564 1.00 0.00 C ATOM 37 CG MET A 189 -22.065 13.518 -18.013 1.00 0.00 C ATOM 38 SD MET A 189 -20.910 14.885 -18.318 1.00 0.00 S ATOM 39 CE MET A 189 -20.240 15.136 -16.653 1.00 0.00 C ATOM 0 H MET A 189 -23.223 10.903 -15.648 1.00 0.00 H new ATOM 0 HA MET A 189 -22.818 10.962 -18.564 1.00 0.00 H new ATOM 0 HB2 MET A 189 -21.005 12.328 -16.563 1.00 0.00 H new ATOM 0 HB3 MET A 189 -20.582 11.970 -18.225 1.00 0.00 H new ATOM 0 HG2 MET A 189 -22.632 13.333 -18.925 1.00 0.00 H new ATOM 0 HG3 MET A 189 -22.780 13.831 -17.252 1.00 0.00 H new ATOM 0 HE1 MET A 189 -19.579 16.003 -16.654 1.00 0.00 H new ATOM 0 HE2 MET A 189 -21.058 15.304 -15.953 1.00 0.00 H new ATOM 0 HE3 MET A 189 -19.679 14.252 -16.350 1.00 0.00 H new ATOM 49 N PRO A 190 -22.356 8.527 -17.556 1.00 0.00 N ATOM 50 CA PRO A 190 -21.862 7.181 -17.246 1.00 0.00 C ATOM 51 C PRO A 190 -20.783 6.679 -18.235 1.00 0.00 C ATOM 52 O PRO A 190 -20.592 5.470 -18.366 1.00 0.00 O ATOM 53 CB PRO A 190 -23.126 6.309 -17.264 1.00 0.00 C ATOM 54 CG PRO A 190 -23.961 6.949 -18.369 1.00 0.00 C ATOM 55 CD PRO A 190 -23.677 8.437 -18.174 1.00 0.00 C ATOM 0 HA PRO A 190 -21.347 7.153 -16.286 1.00 0.00 H new ATOM 0 HB2 PRO A 190 -22.895 5.267 -17.483 1.00 0.00 H new ATOM 0 HB3 PRO A 190 -23.643 6.326 -16.305 1.00 0.00 H new ATOM 0 HG2 PRO A 190 -23.659 6.604 -19.358 1.00 0.00 H new ATOM 0 HG3 PRO A 190 -25.021 6.720 -18.261 1.00 0.00 H new ATOM 0 HD2 PRO A 190 -23.696 8.964 -19.128 1.00 0.00 H new ATOM 0 HD3 PRO A 190 -24.435 8.897 -17.540 1.00 0.00 H new ATOM 63 N VAL A 191 -20.095 7.591 -18.943 1.00 0.00 N ATOM 64 CA VAL A 191 -19.171 7.292 -20.043 1.00 0.00 C ATOM 65 C VAL A 191 -17.824 8.002 -19.786 1.00 0.00 C ATOM 66 O VAL A 191 -17.212 8.562 -20.693 1.00 0.00 O ATOM 67 CB VAL A 191 -19.816 7.631 -21.416 1.00 0.00 C ATOM 68 CG1 VAL A 191 -19.091 6.898 -22.560 1.00 0.00 C ATOM 69 CG2 VAL A 191 -21.304 7.242 -21.512 1.00 0.00 C ATOM 0 H VAL A 191 -20.172 8.591 -18.756 1.00 0.00 H new ATOM 0 HA VAL A 191 -18.962 6.223 -20.083 1.00 0.00 H new ATOM 0 HB VAL A 191 -19.725 8.713 -21.505 1.00 0.00 H new ATOM 0 HG11 VAL A 191 -19.561 7.152 -23.510 1.00 0.00 H new ATOM 0 HG12 VAL A 191 -18.044 7.201 -22.581 1.00 0.00 H new ATOM 0 HG13 VAL A 191 -19.154 5.822 -22.400 1.00 0.00 H new ATOM 0 HG21 VAL A 191 -21.687 7.508 -22.497 1.00 0.00 H new ATOM 0 HG22 VAL A 191 -21.410 6.168 -21.360 1.00 0.00 H new ATOM 0 HG23 VAL A 191 -21.869 7.774 -20.747 1.00 0.00 H new ATOM 79 N ASP A 192 -17.382 7.996 -18.519 1.00 0.00 N ATOM 80 CA ASP A 192 -16.177 8.669 -18.037 1.00 0.00 C ATOM 81 C ASP A 192 -15.479 7.806 -16.969 1.00 0.00 C ATOM 82 O ASP A 192 -16.155 7.053 -16.262 1.00 0.00 O ATOM 83 CB ASP A 192 -16.564 10.036 -17.444 1.00 0.00 C ATOM 84 CG ASP A 192 -17.007 11.026 -18.521 1.00 0.00 C ATOM 85 OD1 ASP A 192 -16.110 11.687 -19.089 1.00 0.00 O ATOM 86 OD2 ASP A 192 -18.233 11.106 -18.761 1.00 0.00 O ATOM 0 H ASP A 192 -17.877 7.501 -17.777 1.00 0.00 H new ATOM 0 HA ASP A 192 -15.487 8.816 -18.868 1.00 0.00 H new ATOM 0 HB2 ASP A 192 -17.369 9.902 -16.722 1.00 0.00 H new ATOM 0 HB3 ASP A 192 -15.714 10.449 -16.901 1.00 0.00 H new ATOM 91 N PRO A 193 -14.141 7.910 -16.819 1.00 0.00 N ATOM 92 CA PRO A 193 -13.380 7.131 -15.846 1.00 0.00 C ATOM 93 C PRO A 193 -13.698 7.585 -14.416 1.00 0.00 C ATOM 94 O PRO A 193 -13.602 8.770 -14.095 1.00 0.00 O ATOM 95 CB PRO A 193 -11.906 7.342 -16.211 1.00 0.00 C ATOM 96 CG PRO A 193 -11.893 8.707 -16.899 1.00 0.00 C ATOM 97 CD PRO A 193 -13.248 8.754 -17.603 1.00 0.00 C ATOM 0 HA PRO A 193 -13.635 6.072 -15.877 1.00 0.00 H new ATOM 0 HB2 PRO A 193 -11.270 7.334 -15.326 1.00 0.00 H new ATOM 0 HB3 PRO A 193 -11.541 6.557 -16.873 1.00 0.00 H new ATOM 0 HG2 PRO A 193 -11.784 9.519 -16.181 1.00 0.00 H new ATOM 0 HG3 PRO A 193 -11.068 8.794 -17.606 1.00 0.00 H new ATOM 0 HD2 PRO A 193 -13.624 9.776 -17.656 1.00 0.00 H new ATOM 0 HD3 PRO A 193 -13.168 8.390 -18.627 1.00 0.00 H new ATOM 105 N ASN A 194 -14.084 6.623 -13.568 1.00 0.00 N ATOM 106 CA ASN A 194 -14.541 6.858 -12.198 1.00 0.00 C ATOM 107 C ASN A 194 -14.287 5.618 -11.315 1.00 0.00 C ATOM 108 O ASN A 194 -15.099 5.286 -10.449 1.00 0.00 O ATOM 109 CB ASN A 194 -16.025 7.280 -12.245 1.00 0.00 C ATOM 110 CG ASN A 194 -16.541 7.856 -10.925 1.00 0.00 C ATOM 111 OD1 ASN A 194 -15.805 8.493 -10.174 1.00 0.00 O ATOM 112 ND2 ASN A 194 -17.822 7.641 -10.631 1.00 0.00 N ATOM 0 H ASN A 194 -14.086 5.636 -13.825 1.00 0.00 H new ATOM 0 HA ASN A 194 -13.974 7.666 -11.736 1.00 0.00 H new ATOM 0 HB2 ASN A 194 -16.158 8.022 -13.032 1.00 0.00 H new ATOM 0 HB3 ASN A 194 -16.631 6.416 -12.516 1.00 0.00 H new ATOM 0 HD21 ASN A 194 -18.215 8.008 -9.764 1.00 0.00 H new ATOM 0 HD22 ASN A 194 -18.410 7.109 -11.272 1.00 0.00 H new ATOM 119 N GLU A 195 -13.171 4.911 -11.557 1.00 0.00 N ATOM 120 CA GLU A 195 -12.817 3.656 -10.897 1.00 0.00 C ATOM 121 C GLU A 195 -11.331 3.695 -10.486 1.00 0.00 C ATOM 122 O GLU A 195 -10.481 3.171 -11.209 1.00 0.00 O ATOM 123 CB GLU A 195 -13.178 2.472 -11.814 1.00 0.00 C ATOM 124 CG GLU A 195 -13.069 1.129 -11.077 1.00 0.00 C ATOM 125 CD GLU A 195 -13.371 -0.045 -12.009 1.00 0.00 C ATOM 126 OE1 GLU A 195 -14.575 -0.333 -12.193 1.00 0.00 O ATOM 127 OE2 GLU A 195 -12.396 -0.636 -12.522 1.00 0.00 O ATOM 0 H GLU A 195 -12.474 5.211 -12.238 1.00 0.00 H new ATOM 0 HA GLU A 195 -13.390 3.520 -9.979 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -14.193 2.599 -12.190 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -12.516 2.467 -12.680 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -12.066 1.019 -10.664 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -13.763 1.116 -10.236 1.00 0.00 H new ATOM 134 N PRO A 196 -10.992 4.354 -9.359 1.00 0.00 N ATOM 135 CA PRO A 196 -9.618 4.475 -8.878 1.00 0.00 C ATOM 136 C PRO A 196 -9.113 3.141 -8.302 1.00 0.00 C ATOM 137 O PRO A 196 -9.753 2.547 -7.433 1.00 0.00 O ATOM 138 CB PRO A 196 -9.664 5.588 -7.825 1.00 0.00 C ATOM 139 CG PRO A 196 -11.086 5.520 -7.275 1.00 0.00 C ATOM 140 CD PRO A 196 -11.905 5.084 -8.487 1.00 0.00 C ATOM 0 HA PRO A 196 -8.917 4.719 -9.677 1.00 0.00 H new ATOM 0 HB2 PRO A 196 -8.925 5.426 -7.041 1.00 0.00 H new ATOM 0 HB3 PRO A 196 -9.453 6.563 -8.265 1.00 0.00 H new ATOM 0 HG2 PRO A 196 -11.168 4.806 -6.455 1.00 0.00 H new ATOM 0 HG3 PRO A 196 -11.416 6.485 -6.891 1.00 0.00 H new ATOM 0 HD2 PRO A 196 -12.741 4.453 -8.184 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -12.327 5.947 -9.002 1.00 0.00 H new ATOM 148 N THR A 197 -7.955 2.684 -8.799 1.00 0.00 N ATOM 149 CA THR A 197 -7.334 1.393 -8.492 1.00 0.00 C ATOM 150 C THR A 197 -5.808 1.553 -8.540 1.00 0.00 C ATOM 151 O THR A 197 -5.308 2.287 -9.397 1.00 0.00 O ATOM 152 CB THR A 197 -7.778 0.340 -9.526 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.435 0.718 -10.844 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.285 0.054 -9.498 1.00 0.00 C ATOM 0 H THR A 197 -7.402 3.233 -9.457 1.00 0.00 H new ATOM 0 HA THR A 197 -7.641 1.064 -7.499 1.00 0.00 H new ATOM 0 HB THR A 197 -7.243 -0.565 -9.238 1.00 0.00 H new ATOM 0 HG1 THR A 197 -7.731 0.025 -11.471 1.00 0.00 H new ATOM 0 HG21 THR A 197 -9.527 -0.696 -10.251 1.00 0.00 H new ATOM 0 HG22 THR A 197 -9.567 -0.317 -8.513 1.00 0.00 H new ATOM 0 HG23 THR A 197 -9.834 0.972 -9.710 1.00 0.00 H new ATOM 162 N TYR A 198 -5.058 0.895 -7.631 1.00 0.00 N ATOM 163 CA TYR A 198 -3.605 1.124 -7.541 1.00 0.00 C ATOM 164 C TYR A 198 -2.809 -0.041 -6.936 1.00 0.00 C ATOM 165 O TYR A 198 -1.792 -0.407 -7.524 1.00 0.00 O ATOM 166 CB TYR A 198 -3.270 2.384 -6.726 1.00 0.00 C ATOM 167 CG TYR A 198 -4.101 3.639 -6.953 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.355 3.785 -6.328 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.604 4.681 -7.764 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.101 4.961 -6.489 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.356 5.854 -7.950 1.00 0.00 C ATOM 172 CZ TYR A 198 -5.610 6.001 -7.310 1.00 0.00 C ATOM 173 OH TYR A 198 -6.342 7.139 -7.478 1.00 0.00 O ATOM 0 H TYR A 198 -5.426 0.216 -6.964 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.304 1.238 -8.582 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.343 2.125 -5.670 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.228 2.637 -6.921 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -5.745 2.983 -5.719 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -2.642 4.577 -8.244 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.050 5.072 -5.986 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -3.977 6.644 -8.582 1.00 0.00 H new ATOM 0 HH TYR A 198 -5.861 7.753 -8.071 1.00 0.00 H new ATOM 183 N CYS A 199 -3.248 -0.619 -5.797 1.00 0.00 N ATOM 184 CA CYS A 199 -2.749 -1.859 -5.200 1.00 0.00 C ATOM 185 C CYS A 199 -2.401 -2.954 -6.206 1.00 0.00 C ATOM 186 O CYS A 199 -2.811 -2.956 -7.367 1.00 0.00 O ATOM 187 CB CYS A 199 -3.862 -2.456 -4.313 1.00 0.00 C ATOM 188 SG CYS A 199 -5.461 -2.329 -5.059 1.00 0.00 S ATOM 0 H CYS A 199 -4.000 -0.205 -5.247 1.00 0.00 H new ATOM 0 HA CYS A 199 -1.841 -1.580 -4.665 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.640 -3.504 -4.113 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -3.871 -1.943 -3.352 1.00 0.00 H new ATOM 0 HG CYS A 199 -6.377 -2.449 -4.145 1.00 0.00 H new ATOM 193 N LEU A 200 -1.758 -3.986 -5.661 1.00 0.00 N ATOM 194 CA LEU A 200 -1.547 -5.243 -6.360 1.00 0.00 C ATOM 195 C LEU A 200 -2.876 -5.995 -6.502 1.00 0.00 C ATOM 196 O LEU A 200 -2.914 -7.018 -7.184 1.00 0.00 O ATOM 197 CB LEU A 200 -0.509 -6.116 -5.627 1.00 0.00 C ATOM 198 CG LEU A 200 0.673 -5.347 -5.004 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.574 -6.315 -4.226 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.512 -4.598 -6.050 1.00 0.00 C ATOM 0 H LEU A 200 -1.369 -3.969 -4.718 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.158 -5.022 -7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -1.017 -6.671 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -0.114 -6.850 -6.330 1.00 0.00 H new ATOM 0 HG LEU A 200 0.247 -4.601 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.407 -5.765 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 200 0.997 -6.791 -3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 200 1.959 -7.078 -4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.330 -4.075 -5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 200 1.919 -5.310 -6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.883 -3.876 -6.572 1.00 0.00 H new ATOM 212 N CYS A 201 -3.959 -5.494 -5.875 1.00 0.00 N ATOM 213 CA CYS A 201 -5.285 -6.032 -6.022 1.00 0.00 C ATOM 214 C CYS A 201 -6.101 -5.259 -7.069 1.00 0.00 C ATOM 215 O CYS A 201 -7.153 -5.743 -7.486 1.00 0.00 O ATOM 216 CB CYS A 201 -5.933 -5.903 -4.656 1.00 0.00 C ATOM 217 SG CYS A 201 -5.160 -6.983 -3.420 1.00 0.00 S ATOM 0 H CYS A 201 -3.914 -4.691 -5.247 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.246 -7.065 -6.367 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.867 -4.868 -4.322 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -6.993 -6.146 -4.735 1.00 0.00 H new ATOM 222 N HIS A 202 -5.614 -4.069 -7.463 1.00 0.00 N ATOM 223 CA HIS A 202 -6.265 -3.091 -8.336 1.00 0.00 C ATOM 224 C HIS A 202 -7.744 -2.851 -7.971 1.00 0.00 C ATOM 225 O HIS A 202 -8.627 -2.960 -8.819 1.00 0.00 O ATOM 226 CB HIS A 202 -5.974 -3.388 -9.820 1.00 0.00 C ATOM 227 CG HIS A 202 -6.406 -4.750 -10.311 1.00 0.00 C ATOM 228 ND1 HIS A 202 -7.679 -5.120 -10.681 1.00 0.00 N ATOM 229 CD2 HIS A 202 -5.607 -5.852 -10.458 1.00 0.00 C ATOM 230 CE1 HIS A 202 -7.641 -6.416 -11.035 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.398 -6.911 -10.918 1.00 0.00 N ATOM 0 H HIS A 202 -4.695 -3.749 -7.157 1.00 0.00 H new ATOM 0 HA HIS A 202 -5.815 -2.115 -8.156 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.468 -2.629 -10.427 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -4.902 -3.284 -9.989 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -4.547 -5.897 -10.254 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -8.497 -6.984 -11.369 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -6.093 -7.863 -11.122 1.00 0.00 H new ATOM 239 N GLN A 203 -7.997 -2.544 -6.687 1.00 0.00 N ATOM 240 CA GLN A 203 -9.312 -2.261 -6.116 1.00 0.00 C ATOM 241 C GLN A 203 -9.113 -1.718 -4.699 1.00 0.00 C ATOM 242 O GLN A 203 -8.265 -2.219 -3.971 1.00 0.00 O ATOM 243 CB GLN A 203 -10.203 -3.523 -6.091 1.00 0.00 C ATOM 244 CG GLN A 203 -9.671 -4.664 -5.208 1.00 0.00 C ATOM 245 CD GLN A 203 -10.384 -5.981 -5.492 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.371 -6.313 -4.843 1.00 0.00 O ATOM 247 NE2 GLN A 203 -9.887 -6.745 -6.465 1.00 0.00 N ATOM 0 H GLN A 203 -7.252 -2.485 -5.993 1.00 0.00 H new ATOM 0 HA GLN A 203 -9.822 -1.524 -6.736 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.197 -3.243 -5.741 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.316 -3.892 -7.110 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.601 -4.786 -5.378 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.799 -4.401 -4.158 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -9.065 -6.438 -6.985 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.329 -7.636 -6.690 1.00 0.00 H new ATOM 256 N VAL A 204 -9.913 -0.721 -4.311 1.00 0.00 N ATOM 257 CA VAL A 204 -9.890 -0.062 -2.987 1.00 0.00 C ATOM 258 C VAL A 204 -11.290 -0.111 -2.329 1.00 0.00 C ATOM 259 O VAL A 204 -12.249 -0.575 -2.946 1.00 0.00 O ATOM 260 CB VAL A 204 -9.283 1.374 -3.053 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.561 1.754 -1.735 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.278 1.551 -4.207 1.00 0.00 C ATOM 0 H VAL A 204 -10.624 -0.330 -4.929 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.217 -0.623 -2.338 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.137 2.030 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.152 2.761 -1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.271 1.720 -0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.752 1.049 -1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -7.891 2.570 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.453 0.849 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -8.777 1.359 -5.157 1.00 0.00 H new ATOM 272 N SER A 205 -11.394 0.343 -1.066 1.00 0.00 N ATOM 273 CA SER A 205 -12.589 0.297 -0.211 1.00 0.00 C ATOM 274 C SER A 205 -13.012 -1.136 0.175 1.00 0.00 C ATOM 275 O SER A 205 -14.097 -1.593 -0.185 1.00 0.00 O ATOM 276 CB SER A 205 -13.717 1.159 -0.806 1.00 0.00 C ATOM 277 OG SER A 205 -14.769 1.307 0.124 1.00 0.00 O ATOM 0 H SER A 205 -10.601 0.775 -0.591 1.00 0.00 H new ATOM 0 HA SER A 205 -12.330 0.747 0.747 1.00 0.00 H new ATOM 0 HB2 SER A 205 -13.327 2.139 -1.082 1.00 0.00 H new ATOM 0 HB3 SER A 205 -14.093 0.697 -1.719 1.00 0.00 H new ATOM 0 HG SER A 205 -15.477 1.859 -0.269 1.00 0.00 H new ATOM 283 N TYR A 206 -12.127 -1.847 0.892 1.00 0.00 N ATOM 284 CA TYR A 206 -12.268 -3.249 1.296 1.00 0.00 C ATOM 285 C TYR A 206 -11.333 -3.523 2.487 1.00 0.00 C ATOM 286 O TYR A 206 -10.109 -3.501 2.352 1.00 0.00 O ATOM 287 CB TYR A 206 -12.010 -4.221 0.113 1.00 0.00 C ATOM 288 CG TYR A 206 -10.605 -4.282 -0.480 1.00 0.00 C ATOM 289 CD1 TYR A 206 -9.923 -3.098 -0.803 1.00 0.00 C ATOM 290 CD2 TYR A 206 -9.971 -5.521 -0.734 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.625 -3.135 -1.295 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.674 -5.565 -1.291 1.00 0.00 C ATOM 293 CZ TYR A 206 -7.990 -4.357 -1.565 1.00 0.00 C ATOM 294 OH TYR A 206 -6.745 -4.304 -2.118 1.00 0.00 O ATOM 0 H TYR A 206 -11.253 -1.437 1.220 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.297 -3.429 1.608 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.275 -5.225 0.444 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.699 -3.958 -0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.414 -2.146 -0.667 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.484 -6.442 -0.500 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -8.097 -2.210 -1.472 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.207 -6.515 -1.506 1.00 0.00 H new ATOM 304 N GLY A 207 -11.930 -3.748 3.667 1.00 0.00 N ATOM 305 CA GLY A 207 -11.247 -3.867 4.944 1.00 0.00 C ATOM 306 C GLY A 207 -10.624 -2.533 5.341 1.00 0.00 C ATOM 307 O GLY A 207 -11.321 -1.576 5.676 1.00 0.00 O ATOM 0 H GLY A 207 -12.941 -3.855 3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.951 -4.189 5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -10.473 -4.632 4.880 1.00 0.00 H new ATOM 311 N GLU A 208 -9.293 -2.509 5.282 1.00 0.00 N ATOM 312 CA GLU A 208 -8.416 -1.426 5.695 1.00 0.00 C ATOM 313 C GLU A 208 -7.270 -1.226 4.689 1.00 0.00 C ATOM 314 O GLU A 208 -7.058 -2.048 3.797 1.00 0.00 O ATOM 315 CB GLU A 208 -7.929 -1.713 7.122 1.00 0.00 C ATOM 316 CG GLU A 208 -6.893 -2.836 7.271 1.00 0.00 C ATOM 317 CD GLU A 208 -7.465 -4.234 7.020 1.00 0.00 C ATOM 318 OE1 GLU A 208 -8.025 -4.801 7.983 1.00 0.00 O ATOM 319 OE2 GLU A 208 -7.341 -4.714 5.871 1.00 0.00 O ATOM 0 H GLU A 208 -8.767 -3.304 4.918 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.957 -0.480 5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -7.502 -0.797 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -8.795 -1.962 7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -6.073 -2.658 6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -6.472 -2.800 8.276 1.00 0.00 H new ATOM 326 N MET A 209 -6.537 -0.115 4.834 1.00 0.00 N ATOM 327 CA MET A 209 -5.581 0.365 3.833 1.00 0.00 C ATOM 328 C MET A 209 -4.300 0.924 4.458 1.00 0.00 C ATOM 329 O MET A 209 -4.299 1.349 5.614 1.00 0.00 O ATOM 330 CB MET A 209 -6.269 1.461 2.991 1.00 0.00 C ATOM 331 CG MET A 209 -7.472 0.986 2.153 1.00 0.00 C ATOM 332 SD MET A 209 -9.106 0.978 2.945 1.00 0.00 S ATOM 333 CE MET A 209 -9.425 2.757 3.074 1.00 0.00 C ATOM 0 H MET A 209 -6.593 0.481 5.660 1.00 0.00 H new ATOM 0 HA MET A 209 -5.285 -0.482 3.214 1.00 0.00 H new ATOM 0 HB2 MET A 209 -6.603 2.254 3.660 1.00 0.00 H new ATOM 0 HB3 MET A 209 -5.530 1.899 2.320 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.533 1.617 1.267 1.00 0.00 H new ATOM 0 HG3 MET A 209 -7.262 -0.027 1.809 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.455 2.920 3.392 1.00 0.00 H new ATOM 0 HE2 MET A 209 -8.746 3.196 3.804 1.00 0.00 H new ATOM 0 HE3 MET A 209 -9.267 3.226 2.103 1.00 0.00 H new ATOM 343 N ILE A 210 -3.224 0.971 3.652 1.00 0.00 N ATOM 344 CA ILE A 210 -1.985 1.660 3.968 1.00 0.00 C ATOM 345 C ILE A 210 -1.594 2.479 2.730 1.00 0.00 C ATOM 346 O ILE A 210 -2.445 3.128 2.119 1.00 0.00 O ATOM 347 CB ILE A 210 -0.931 0.672 4.560 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.311 1.319 5.222 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.467 -0.479 3.649 1.00 0.00 C ATOM 350 CD1 ILE A 210 -0.013 2.362 6.296 1.00 0.00 C ATOM 0 H ILE A 210 -3.204 0.514 2.740 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.082 2.382 4.779 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.549 0.235 5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.920 0.533 5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 210 0.916 1.790 4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.263 -1.091 4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.324 -1.094 3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.011 -0.069 2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.914 2.763 6.706 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -0.594 3.171 5.854 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.590 1.895 7.094 1.00 0.00 H new ATOM 362 N GLY A 211 -0.311 2.483 2.393 1.00 0.00 N ATOM 363 CA GLY A 211 0.309 3.340 1.411 1.00 0.00 C ATOM 364 C GLY A 211 1.721 3.717 1.808 1.00 0.00 C ATOM 365 O GLY A 211 1.979 4.073 2.958 1.00 0.00 O ATOM 0 H GLY A 211 0.358 1.848 2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 211 0.325 2.835 0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.288 4.244 1.288 1.00 0.00 H new ATOM 369 N CYS A 212 2.622 3.621 0.824 1.00 0.00 N ATOM 370 CA CYS A 212 4.029 3.965 0.995 1.00 0.00 C ATOM 371 C CYS A 212 4.133 5.457 1.325 1.00 0.00 C ATOM 372 O CYS A 212 3.626 6.294 0.579 1.00 0.00 O ATOM 373 CB CYS A 212 4.901 3.580 -0.218 1.00 0.00 C ATOM 374 SG CYS A 212 6.596 4.143 0.155 1.00 0.00 S ATOM 0 H CYS A 212 2.390 3.300 -0.116 1.00 0.00 H new ATOM 0 HA CYS A 212 4.428 3.378 1.822 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.879 2.503 -0.384 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.528 4.051 -1.128 1.00 0.00 H new ATOM 0 HG CYS A 212 7.381 3.841 -0.836 1.00 0.00 H new ATOM 379 N ASP A 213 4.821 5.764 2.436 1.00 0.00 N ATOM 380 CA ASP A 213 5.077 7.115 2.925 1.00 0.00 C ATOM 381 C ASP A 213 5.944 7.964 1.968 1.00 0.00 C ATOM 382 O ASP A 213 6.159 9.143 2.251 1.00 0.00 O ATOM 383 CB ASP A 213 5.743 7.034 4.308 1.00 0.00 C ATOM 384 CG ASP A 213 4.857 6.465 5.424 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.377 5.319 5.279 1.00 0.00 O ATOM 386 OD2 ASP A 213 4.728 7.165 6.452 1.00 0.00 O ATOM 0 H ASP A 213 5.227 5.046 3.036 1.00 0.00 H new ATOM 0 HA ASP A 213 4.113 7.620 2.989 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.639 6.419 4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 213 6.068 8.034 4.597 1.00 0.00 H new ATOM 391 N ASP A 214 6.447 7.396 0.859 1.00 0.00 N ATOM 392 CA ASP A 214 7.096 8.128 -0.220 1.00 0.00 C ATOM 393 C ASP A 214 6.031 8.925 -1.000 1.00 0.00 C ATOM 394 O ASP A 214 5.143 8.303 -1.587 1.00 0.00 O ATOM 395 CB ASP A 214 7.798 7.112 -1.137 1.00 0.00 C ATOM 396 CG ASP A 214 8.520 7.728 -2.335 1.00 0.00 C ATOM 397 OD1 ASP A 214 8.919 8.909 -2.240 1.00 0.00 O ATOM 398 OD2 ASP A 214 8.661 6.992 -3.336 1.00 0.00 O ATOM 0 H ASP A 214 6.408 6.390 0.693 1.00 0.00 H new ATOM 0 HA ASP A 214 7.833 8.829 0.172 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.519 6.547 -0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 214 7.058 6.400 -1.502 1.00 0.00 H new ATOM 403 N PRO A 215 6.107 10.271 -1.058 1.00 0.00 N ATOM 404 CA PRO A 215 5.182 11.096 -1.834 1.00 0.00 C ATOM 405 C PRO A 215 5.467 11.071 -3.348 1.00 0.00 C ATOM 406 O PRO A 215 4.784 11.759 -4.105 1.00 0.00 O ATOM 407 CB PRO A 215 5.333 12.505 -1.251 1.00 0.00 C ATOM 408 CG PRO A 215 6.810 12.546 -0.867 1.00 0.00 C ATOM 409 CD PRO A 215 7.075 11.123 -0.377 1.00 0.00 C ATOM 0 HA PRO A 215 4.163 10.719 -1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 215 5.082 13.275 -1.980 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.685 12.659 -0.388 1.00 0.00 H new ATOM 0 HG2 PRO A 215 7.441 12.805 -1.717 1.00 0.00 H new ATOM 0 HG3 PRO A 215 7.005 13.284 -0.089 1.00 0.00 H new ATOM 0 HD2 PRO A 215 8.095 10.815 -0.608 1.00 0.00 H new ATOM 0 HD3 PRO A 215 6.959 11.056 0.705 1.00 0.00 H new ATOM 417 N ASP A 216 6.445 10.263 -3.781 1.00 0.00 N ATOM 418 CA ASP A 216 6.793 10.012 -5.175 1.00 0.00 C ATOM 419 C ASP A 216 6.526 8.539 -5.541 1.00 0.00 C ATOM 420 O ASP A 216 6.835 8.123 -6.657 1.00 0.00 O ATOM 421 CB ASP A 216 8.253 10.439 -5.403 1.00 0.00 C ATOM 422 CG ASP A 216 8.634 10.512 -6.884 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.992 11.312 -7.602 1.00 0.00 O ATOM 424 OD2 ASP A 216 9.573 9.783 -7.274 1.00 0.00 O ATOM 0 H ASP A 216 7.039 9.745 -3.133 1.00 0.00 H new ATOM 0 HA ASP A 216 6.165 10.604 -5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.416 11.414 -4.944 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.914 9.735 -4.898 1.00 0.00 H new ATOM 429 N CYS A 217 5.921 7.755 -4.628 1.00 0.00 N ATOM 430 CA CYS A 217 5.449 6.410 -4.921 1.00 0.00 C ATOM 431 C CYS A 217 4.437 6.451 -6.074 1.00 0.00 C ATOM 432 O CYS A 217 3.457 7.196 -6.036 1.00 0.00 O ATOM 433 CB CYS A 217 4.809 5.828 -3.664 1.00 0.00 C ATOM 434 SG CYS A 217 4.247 4.128 -3.942 1.00 0.00 S ATOM 0 H CYS A 217 5.751 8.048 -3.666 1.00 0.00 H new ATOM 0 HA CYS A 217 6.285 5.779 -5.224 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.528 5.847 -2.845 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.965 6.448 -3.362 1.00 0.00 H new ATOM 440 N SER A 218 4.687 5.610 -7.081 1.00 0.00 N ATOM 441 CA SER A 218 3.921 5.516 -8.327 1.00 0.00 C ATOM 442 C SER A 218 2.549 4.831 -8.154 1.00 0.00 C ATOM 443 O SER A 218 1.832 4.641 -9.138 1.00 0.00 O ATOM 444 CB SER A 218 4.782 4.767 -9.355 1.00 0.00 C ATOM 445 OG SER A 218 4.240 4.878 -10.654 1.00 0.00 O ATOM 0 H SER A 218 5.462 4.948 -7.049 1.00 0.00 H new ATOM 0 HA SER A 218 3.695 6.526 -8.668 1.00 0.00 H new ATOM 0 HB2 SER A 218 5.795 5.168 -9.346 1.00 0.00 H new ATOM 0 HB3 SER A 218 4.853 3.716 -9.077 1.00 0.00 H new ATOM 0 HG SER A 218 3.266 4.966 -10.596 1.00 0.00 H new ATOM 451 N ILE A 219 2.198 4.441 -6.921 1.00 0.00 N ATOM 452 CA ILE A 219 1.045 3.607 -6.582 1.00 0.00 C ATOM 453 C ILE A 219 0.292 4.207 -5.378 1.00 0.00 C ATOM 454 O ILE A 219 -0.935 4.163 -5.341 1.00 0.00 O ATOM 455 CB ILE A 219 1.558 2.178 -6.286 1.00 0.00 C ATOM 456 CG1 ILE A 219 2.300 1.490 -7.456 1.00 0.00 C ATOM 457 CG2 ILE A 219 0.421 1.283 -5.787 1.00 0.00 C ATOM 458 CD1 ILE A 219 1.434 1.163 -8.678 1.00 0.00 C ATOM 0 H ILE A 219 2.737 4.712 -6.098 1.00 0.00 H new ATOM 0 HA ILE A 219 0.338 3.567 -7.411 1.00 0.00 H new ATOM 0 HB ILE A 219 2.306 2.311 -5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 219 3.120 2.134 -7.774 1.00 0.00 H new ATOM 0 HG13 ILE A 219 2.745 0.565 -7.089 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.806 0.283 -5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.003 1.702 -4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.357 1.225 -6.548 1.00 0.00 H new ATOM 0 HD11 ILE A 219 2.047 0.684 -9.441 1.00 0.00 H new ATOM 0 HD12 ILE A 219 0.629 0.490 -8.384 1.00 0.00 H new ATOM 0 HD13 ILE A 219 1.009 2.083 -9.080 1.00 0.00 H new ATOM 470 N GLU A 220 1.036 4.809 -4.438 1.00 0.00 N ATOM 471 CA GLU A 220 0.580 5.635 -3.312 1.00 0.00 C ATOM 472 C GLU A 220 -0.075 4.860 -2.153 1.00 0.00 C ATOM 473 O GLU A 220 0.193 5.195 -1.003 1.00 0.00 O ATOM 474 CB GLU A 220 -0.238 6.849 -3.830 1.00 0.00 C ATOM 475 CG GLU A 220 -1.693 6.995 -3.347 1.00 0.00 C ATOM 476 CD GLU A 220 -1.822 7.470 -1.894 1.00 0.00 C ATOM 477 OE1 GLU A 220 -1.157 8.473 -1.551 1.00 0.00 O ATOM 478 OE2 GLU A 220 -2.603 6.838 -1.150 1.00 0.00 O ATOM 0 H GLU A 220 2.052 4.723 -4.447 1.00 0.00 H new ATOM 0 HA GLU A 220 1.473 6.030 -2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 220 0.299 7.757 -3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.250 6.804 -4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.212 7.700 -3.997 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.198 6.035 -3.451 1.00 0.00 H new ATOM 485 N TRP A 221 -0.869 3.819 -2.437 1.00 0.00 N ATOM 486 CA TRP A 221 -1.653 3.048 -1.471 1.00 0.00 C ATOM 487 C TRP A 221 -1.501 1.556 -1.777 1.00 0.00 C ATOM 488 O TRP A 221 -1.358 1.142 -2.927 1.00 0.00 O ATOM 489 CB TRP A 221 -3.115 3.513 -1.469 1.00 0.00 C ATOM 490 CG TRP A 221 -4.061 2.554 -2.061 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.439 2.523 -3.345 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.637 1.392 -1.423 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.160 1.371 -3.571 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.299 0.624 -2.416 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.592 0.890 -0.110 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -5.902 -0.604 -2.109 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.206 -0.331 0.195 1.00 0.00 C ATOM 498 CH2 TRP A 221 -5.840 -1.088 -0.794 1.00 0.00 C ATOM 0 H TRP A 221 -0.986 3.478 -3.391 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.279 3.218 -0.461 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.417 3.715 -0.441 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.184 4.455 -2.013 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.215 3.278 -4.084 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.543 1.103 -4.477 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.084 1.447 0.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.408 -1.171 -2.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.189 -0.694 1.212 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -6.281 -2.042 -0.547 1.00 0.00 H new ATOM 509 N PHE A 222 -1.572 0.746 -0.720 1.00 0.00 N ATOM 510 CA PHE A 222 -1.407 -0.701 -0.778 1.00 0.00 C ATOM 511 C PHE A 222 -2.255 -1.312 0.315 1.00 0.00 C ATOM 512 O PHE A 222 -2.444 -0.727 1.378 1.00 0.00 O ATOM 513 CB PHE A 222 0.051 -1.103 -0.527 1.00 0.00 C ATOM 514 CG PHE A 222 1.005 -0.648 -1.602 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.507 0.664 -1.564 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.350 -1.508 -2.661 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.316 1.138 -2.601 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.198 -1.048 -3.681 1.00 0.00 C ATOM 519 CZ PHE A 222 2.672 0.274 -3.647 1.00 0.00 C ATOM 0 H PHE A 222 -1.751 1.090 0.223 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.703 -1.050 -1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.372 -0.689 0.429 1.00 0.00 H new ATOM 0 HB3 PHE A 222 0.108 -2.188 -0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.267 1.308 -0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 222 0.965 -2.516 -2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.664 2.160 -2.597 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.484 -1.707 -4.487 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.318 0.629 -4.436 1.00 0.00 H new ATOM 529 N HIS A 223 -2.754 -2.511 0.040 1.00 0.00 N ATOM 530 CA HIS A 223 -3.546 -3.264 0.991 1.00 0.00 C ATOM 531 C HIS A 223 -2.677 -3.810 2.129 1.00 0.00 C ATOM 532 O HIS A 223 -1.500 -4.122 1.949 1.00 0.00 O ATOM 533 CB HIS A 223 -4.223 -4.367 0.182 1.00 0.00 C ATOM 534 CG HIS A 223 -5.384 -5.086 0.798 1.00 0.00 C ATOM 535 ND1 HIS A 223 -5.768 -6.368 0.414 1.00 0.00 N ATOM 536 CD2 HIS A 223 -6.281 -4.586 1.695 1.00 0.00 C ATOM 537 CE1 HIS A 223 -6.867 -6.632 1.142 1.00 0.00 C ATOM 538 NE2 HIS A 223 -7.202 -5.580 1.910 1.00 0.00 N ATOM 0 H HIS A 223 -2.618 -2.985 -0.853 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.292 -2.642 1.485 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.562 -3.930 -0.757 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.465 -5.110 -0.067 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -6.269 -3.605 2.146 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -7.409 -7.566 1.114 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -8.001 -5.530 2.542 1.00 0.00 H new ATOM 546 N PHE A 224 -3.304 -3.963 3.296 1.00 0.00 N ATOM 547 CA PHE A 224 -2.795 -4.705 4.455 1.00 0.00 C ATOM 548 C PHE A 224 -2.507 -6.188 4.143 1.00 0.00 C ATOM 549 O PHE A 224 -1.968 -6.879 5.004 1.00 0.00 O ATOM 550 CB PHE A 224 -3.815 -4.606 5.606 1.00 0.00 C ATOM 551 CG PHE A 224 -3.551 -3.562 6.677 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.172 -2.245 6.343 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.795 -3.891 8.026 1.00 0.00 C ATOM 554 CE1 PHE A 224 -3.040 -1.274 7.353 1.00 0.00 C ATOM 555 CE2 PHE A 224 -3.684 -2.914 9.028 1.00 0.00 C ATOM 556 CZ PHE A 224 -3.302 -1.605 8.692 1.00 0.00 C ATOM 0 H PHE A 224 -4.223 -3.555 3.469 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.845 -4.253 4.739 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.795 -4.406 5.173 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -3.874 -5.581 6.091 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -2.983 -1.982 5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -4.069 -4.902 8.290 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -2.736 -0.270 7.097 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -3.892 -3.169 10.057 1.00 0.00 H new ATOM 0 HZ PHE A 224 -3.210 -0.854 9.463 1.00 0.00 H new ATOM 566 N ALA A 225 -2.821 -6.674 2.931 1.00 0.00 N ATOM 567 CA ALA A 225 -2.446 -7.985 2.431 1.00 0.00 C ATOM 568 C ALA A 225 -1.646 -7.912 1.118 1.00 0.00 C ATOM 569 O ALA A 225 -1.166 -8.947 0.657 1.00 0.00 O ATOM 570 CB ALA A 225 -3.693 -8.869 2.310 1.00 0.00 C ATOM 0 H ALA A 225 -3.364 -6.136 2.255 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.769 -8.443 3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.407 -9.852 1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.159 -8.976 3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.400 -8.408 1.620 1.00 0.00 H new ATOM 576 N CYS A 226 -1.444 -6.713 0.540 1.00 0.00 N ATOM 577 CA CYS A 226 -0.489 -6.490 -0.546 1.00 0.00 C ATOM 578 C CYS A 226 0.969 -6.533 -0.040 1.00 0.00 C ATOM 579 O CYS A 226 1.893 -6.497 -0.851 1.00 0.00 O ATOM 580 CB CYS A 226 -0.784 -5.164 -1.230 1.00 0.00 C ATOM 581 SG CYS A 226 -2.140 -5.313 -2.426 1.00 0.00 S ATOM 0 H CYS A 226 -1.946 -5.870 0.820 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.603 -7.297 -1.270 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.041 -4.417 -0.479 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.113 -4.809 -1.739 1.00 0.00 H new ATOM 587 N VAL A 227 1.168 -6.631 1.285 1.00 0.00 N ATOM 588 CA VAL A 227 2.455 -6.830 1.953 1.00 0.00 C ATOM 589 C VAL A 227 2.369 -7.918 3.047 1.00 0.00 C ATOM 590 O VAL A 227 3.382 -8.282 3.641 1.00 0.00 O ATOM 591 CB VAL A 227 2.958 -5.469 2.479 1.00 0.00 C ATOM 592 CG1 VAL A 227 2.077 -4.960 3.630 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.437 -5.507 2.901 1.00 0.00 C ATOM 0 H VAL A 227 0.395 -6.570 1.947 1.00 0.00 H new ATOM 0 HA VAL A 227 3.188 -7.208 1.240 1.00 0.00 H new ATOM 0 HB VAL A 227 2.883 -4.768 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.455 -4.000 3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 227 1.052 -4.840 3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 227 2.098 -5.679 4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.738 -4.524 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.570 -6.242 3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.053 -5.782 2.045 1.00 0.00 H new ATOM 603 N GLY A 228 1.163 -8.445 3.305 1.00 0.00 N ATOM 604 CA GLY A 228 0.885 -9.407 4.368 1.00 0.00 C ATOM 605 C GLY A 228 1.009 -8.804 5.774 1.00 0.00 C ATOM 606 O GLY A 228 1.440 -9.502 6.691 1.00 0.00 O ATOM 0 H GLY A 228 0.334 -8.203 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -0.122 -9.803 4.237 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.573 -10.248 4.278 1.00 0.00 H new ATOM 610 N LEU A 229 0.683 -7.510 5.933 1.00 0.00 N ATOM 611 CA LEU A 229 0.846 -6.764 7.182 1.00 0.00 C ATOM 612 C LEU A 229 -0.082 -7.281 8.286 1.00 0.00 C ATOM 613 O LEU A 229 0.389 -7.541 9.392 1.00 0.00 O ATOM 614 CB LEU A 229 0.570 -5.258 6.947 1.00 0.00 C ATOM 615 CG LEU A 229 1.815 -4.362 7.101 1.00 0.00 C ATOM 616 CD1 LEU A 229 1.439 -2.928 6.701 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.393 -4.363 8.525 1.00 0.00 C ATOM 0 H LEU A 229 0.291 -6.946 5.178 1.00 0.00 H new ATOM 0 HA LEU A 229 1.876 -6.908 7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 229 0.161 -5.126 5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.194 -4.925 7.649 1.00 0.00 H new ATOM 0 HG LEU A 229 2.591 -4.766 6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 229 2.310 -2.281 6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 229 1.099 -2.916 5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.640 -2.567 7.349 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.267 -3.713 8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 229 1.639 -4.000 9.224 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.683 -5.377 8.799 1.00 0.00 H new ATOM 629 N THR A 230 -1.384 -7.400 7.970 1.00 0.00 N ATOM 630 CA THR A 230 -2.521 -7.669 8.860 1.00 0.00 C ATOM 631 C THR A 230 -2.585 -6.831 10.165 1.00 0.00 C ATOM 632 O THR A 230 -3.433 -7.089 11.017 1.00 0.00 O ATOM 633 CB THR A 230 -2.708 -9.194 9.038 1.00 0.00 C ATOM 634 OG1 THR A 230 -4.025 -9.486 9.456 1.00 0.00 O ATOM 635 CG2 THR A 230 -1.730 -9.870 10.008 1.00 0.00 C ATOM 0 H THR A 230 -1.691 -7.302 7.002 1.00 0.00 H new ATOM 0 HA THR A 230 -3.408 -7.288 8.353 1.00 0.00 H new ATOM 0 HB THR A 230 -2.496 -9.605 8.051 1.00 0.00 H new ATOM 0 HG1 THR A 230 -4.344 -8.777 10.052 1.00 0.00 H new ATOM 0 HG21 THR A 230 -1.948 -10.937 10.060 1.00 0.00 H new ATOM 0 HG22 THR A 230 -0.709 -9.725 9.655 1.00 0.00 H new ATOM 0 HG23 THR A 230 -1.838 -9.429 10.999 1.00 0.00 H new ATOM 643 N THR A 231 -1.728 -5.807 10.314 1.00 0.00 N ATOM 644 CA THR A 231 -1.628 -4.922 11.476 1.00 0.00 C ATOM 645 C THR A 231 -1.210 -3.512 11.035 1.00 0.00 C ATOM 646 O THR A 231 -0.689 -3.320 9.935 1.00 0.00 O ATOM 647 CB THR A 231 -0.600 -5.452 12.501 1.00 0.00 C ATOM 648 OG1 THR A 231 0.686 -5.549 11.922 1.00 0.00 O ATOM 649 CG2 THR A 231 -0.976 -6.806 13.111 1.00 0.00 C ATOM 0 H THR A 231 -1.054 -5.566 9.587 1.00 0.00 H new ATOM 0 HA THR A 231 -2.610 -4.889 11.948 1.00 0.00 H new ATOM 0 HB THR A 231 -0.599 -4.721 13.310 1.00 0.00 H new ATOM 0 HG1 THR A 231 0.648 -6.134 11.137 1.00 0.00 H new ATOM 0 HG21 THR A 231 -0.207 -7.112 13.820 1.00 0.00 H new ATOM 0 HG22 THR A 231 -1.932 -6.720 13.627 1.00 0.00 H new ATOM 0 HG23 THR A 231 -1.057 -7.551 12.320 1.00 0.00 H new ATOM 657 N LYS A 232 -1.419 -2.527 11.921 1.00 0.00 N ATOM 658 CA LYS A 232 -0.952 -1.155 11.745 1.00 0.00 C ATOM 659 C LYS A 232 0.587 -1.127 11.829 1.00 0.00 C ATOM 660 O LYS A 232 1.129 -1.541 12.855 1.00 0.00 O ATOM 661 CB LYS A 232 -1.623 -0.271 12.812 1.00 0.00 C ATOM 662 CG LYS A 232 -1.246 1.221 12.723 1.00 0.00 C ATOM 663 CD LYS A 232 -0.126 1.655 13.688 1.00 0.00 C ATOM 664 CE LYS A 232 -0.523 1.596 15.170 1.00 0.00 C ATOM 665 NZ LYS A 232 -1.576 2.573 15.504 1.00 0.00 N ATOM 0 H LYS A 232 -1.927 -2.670 12.794 1.00 0.00 H new ATOM 0 HA LYS A 232 -1.226 -0.763 10.765 1.00 0.00 H new ATOM 0 HB2 LYS A 232 -2.705 -0.367 12.720 1.00 0.00 H new ATOM 0 HB3 LYS A 232 -1.353 -0.644 13.800 1.00 0.00 H new ATOM 0 HG2 LYS A 232 -0.936 1.444 11.702 1.00 0.00 H new ATOM 0 HG3 LYS A 232 -2.134 1.820 12.924 1.00 0.00 H new ATOM 0 HD2 LYS A 232 0.744 1.017 13.529 1.00 0.00 H new ATOM 0 HD3 LYS A 232 0.176 2.673 13.443 1.00 0.00 H new ATOM 0 HE2 LYS A 232 -0.872 0.592 15.411 1.00 0.00 H new ATOM 0 HE3 LYS A 232 0.355 1.785 15.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 -1.740 2.569 16.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 -1.276 3.523 15.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 -2.456 2.317 15.012 1.00 0.00 H new ATOM 679 N PRO A 233 1.303 -0.652 10.787 1.00 0.00 N ATOM 680 CA PRO A 233 2.762 -0.596 10.778 1.00 0.00 C ATOM 681 C PRO A 233 3.296 0.622 11.542 1.00 0.00 C ATOM 682 O PRO A 233 2.575 1.592 11.787 1.00 0.00 O ATOM 683 CB PRO A 233 3.144 -0.494 9.300 1.00 0.00 C ATOM 684 CG PRO A 233 1.987 0.301 8.703 1.00 0.00 C ATOM 685 CD PRO A 233 0.780 -0.178 9.511 1.00 0.00 C ATOM 0 HA PRO A 233 3.189 -1.471 11.269 1.00 0.00 H new ATOM 0 HB2 PRO A 233 4.098 0.016 9.163 1.00 0.00 H new ATOM 0 HB3 PRO A 233 3.239 -1.477 8.839 1.00 0.00 H new ATOM 0 HG2 PRO A 233 2.141 1.375 8.807 1.00 0.00 H new ATOM 0 HG3 PRO A 233 1.866 0.098 7.639 1.00 0.00 H new ATOM 0 HD2 PRO A 233 0.066 0.632 9.660 1.00 0.00 H new ATOM 0 HD3 PRO A 233 0.253 -0.975 8.987 1.00 0.00 H new ATOM 693 N ARG A 234 4.596 0.583 11.863 1.00 0.00 N ATOM 694 CA ARG A 234 5.339 1.729 12.380 1.00 0.00 C ATOM 695 C ARG A 234 5.456 2.810 11.288 1.00 0.00 C ATOM 696 O ARG A 234 5.327 2.511 10.098 1.00 0.00 O ATOM 697 CB ARG A 234 6.718 1.245 12.868 1.00 0.00 C ATOM 698 CG ARG A 234 7.292 2.133 13.982 1.00 0.00 C ATOM 699 CD ARG A 234 8.637 1.582 14.474 1.00 0.00 C ATOM 700 NE ARG A 234 9.078 2.242 15.714 1.00 0.00 N ATOM 701 CZ ARG A 234 9.666 3.444 15.814 1.00 0.00 C ATOM 702 NH1 ARG A 234 9.920 4.198 14.742 1.00 0.00 N ATOM 703 NH2 ARG A 234 10.008 3.901 17.019 1.00 0.00 N ATOM 0 H ARG A 234 5.164 -0.259 11.768 1.00 0.00 H new ATOM 0 HA ARG A 234 4.816 2.179 13.224 1.00 0.00 H new ATOM 0 HB2 ARG A 234 6.632 0.221 13.232 1.00 0.00 H new ATOM 0 HB3 ARG A 234 7.412 1.228 12.028 1.00 0.00 H new ATOM 0 HG2 ARG A 234 7.423 3.150 13.612 1.00 0.00 H new ATOM 0 HG3 ARG A 234 6.588 2.184 14.813 1.00 0.00 H new ATOM 0 HD2 ARG A 234 8.550 0.509 14.645 1.00 0.00 H new ATOM 0 HD3 ARG A 234 9.392 1.721 13.700 1.00 0.00 H new ATOM 0 HE ARG A 234 8.921 1.734 16.585 1.00 0.00 H new ATOM 0 HH11 ARG A 234 9.666 3.865 13.812 1.00 0.00 H new ATOM 0 HH12 ARG A 234 10.368 5.107 14.853 1.00 0.00 H new ATOM 0 HH21 ARG A 234 9.822 3.339 17.849 1.00 0.00 H new ATOM 0 HH22 ARG A 234 10.456 4.813 17.110 1.00 0.00 H new ATOM 717 N GLY A 235 5.717 4.061 11.694 1.00 0.00 N ATOM 718 CA GLY A 235 5.874 5.195 10.786 1.00 0.00 C ATOM 719 C GLY A 235 6.990 4.984 9.756 1.00 0.00 C ATOM 720 O GLY A 235 7.931 4.227 9.997 1.00 0.00 O ATOM 0 H GLY A 235 5.826 4.312 12.677 1.00 0.00 H new ATOM 0 HA2 GLY A 235 4.933 5.369 10.264 1.00 0.00 H new ATOM 0 HA3 GLY A 235 6.087 6.092 11.367 1.00 0.00 H new ATOM 724 N LYS A 236 6.873 5.681 8.614 1.00 0.00 N ATOM 725 CA LYS A 236 7.705 5.499 7.420 1.00 0.00 C ATOM 726 C LYS A 236 7.723 4.043 6.966 1.00 0.00 C ATOM 727 O LYS A 236 8.746 3.357 6.988 1.00 0.00 O ATOM 728 CB LYS A 236 9.090 6.143 7.573 1.00 0.00 C ATOM 729 CG LYS A 236 8.969 7.668 7.694 1.00 0.00 C ATOM 730 CD LYS A 236 8.478 8.427 6.449 1.00 0.00 C ATOM 731 CE LYS A 236 9.201 8.028 5.156 1.00 0.00 C ATOM 732 NZ LYS A 236 8.744 8.830 4.004 1.00 0.00 N ATOM 0 H LYS A 236 6.171 6.412 8.496 1.00 0.00 H new ATOM 0 HA LYS A 236 7.243 6.047 6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 236 9.588 5.742 8.456 1.00 0.00 H new ATOM 0 HB3 LYS A 236 9.711 5.890 6.714 1.00 0.00 H new ATOM 0 HG2 LYS A 236 8.290 7.890 8.517 1.00 0.00 H new ATOM 0 HG3 LYS A 236 9.946 8.065 7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 236 7.409 8.251 6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 236 8.609 9.497 6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 236 10.276 8.157 5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 236 9.029 6.971 4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 8.662 8.219 3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 7.817 9.249 4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 9.431 9.587 3.814 1.00 0.00 H new ATOM 746 N TRP A 237 6.531 3.605 6.562 1.00 0.00 N ATOM 747 CA TRP A 237 6.322 2.332 5.875 1.00 0.00 C ATOM 748 C TRP A 237 6.642 2.509 4.384 1.00 0.00 C ATOM 749 O TRP A 237 6.503 3.602 3.832 1.00 0.00 O ATOM 750 CB TRP A 237 4.894 1.820 6.097 1.00 0.00 C ATOM 751 CG TRP A 237 4.576 0.495 5.456 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.830 -0.726 5.980 1.00 0.00 C ATOM 753 CD2 TRP A 237 4.007 0.233 4.135 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.467 -1.712 5.081 1.00 0.00 N ATOM 755 CE2 TRP A 237 3.962 -1.175 3.915 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.571 1.055 3.079 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.498 -1.728 2.709 1.00 0.00 C ATOM 758 CZ3 TRP A 237 3.125 0.513 1.859 1.00 0.00 C ATOM 759 CH2 TRP A 237 3.062 -0.877 1.685 1.00 0.00 C ATOM 0 H TRP A 237 5.670 4.133 6.705 1.00 0.00 H new ATOM 0 HA TRP A 237 6.993 1.578 6.287 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.719 1.737 7.170 1.00 0.00 H new ATOM 0 HB3 TRP A 237 4.196 2.565 5.717 1.00 0.00 H new ATOM 0 HD1 TRP A 237 5.254 -0.905 6.957 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.561 -2.712 5.258 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.579 2.127 3.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.478 -2.799 2.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.830 1.170 1.054 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.678 -1.290 0.764 1.00 0.00 H new ATOM 770 N PHE A 238 7.052 1.417 3.728 1.00 0.00 N ATOM 771 CA PHE A 238 7.372 1.397 2.307 1.00 0.00 C ATOM 772 C PHE A 238 6.859 0.096 1.686 1.00 0.00 C ATOM 773 O PHE A 238 6.959 -0.970 2.295 1.00 0.00 O ATOM 774 CB PHE A 238 8.890 1.530 2.096 1.00 0.00 C ATOM 775 CG PHE A 238 9.526 2.812 2.608 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.979 2.891 3.939 1.00 0.00 C ATOM 777 CD2 PHE A 238 9.697 3.917 1.751 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.583 4.070 4.413 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.292 5.099 2.227 1.00 0.00 C ATOM 780 CZ PHE A 238 10.736 5.175 3.559 1.00 0.00 C ATOM 0 H PHE A 238 7.171 0.511 4.182 1.00 0.00 H new ATOM 0 HA PHE A 238 6.885 2.242 1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.379 0.686 2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 238 9.097 1.447 1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.862 2.044 4.598 1.00 0.00 H new ATOM 0 HD2 PHE A 238 9.370 3.856 0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 238 10.929 4.126 5.434 1.00 0.00 H new ATOM 0 HE2 PHE A 238 10.408 5.948 1.570 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.194 6.082 3.925 1.00 0.00 H new ATOM 790 N CYS A 239 6.325 0.189 0.461 1.00 0.00 N ATOM 791 CA CYS A 239 5.781 -0.939 -0.280 1.00 0.00 C ATOM 792 C CYS A 239 6.882 -1.911 -0.752 1.00 0.00 C ATOM 793 O CYS A 239 8.059 -1.550 -0.694 1.00 0.00 O ATOM 794 CB CYS A 239 4.912 -0.346 -1.392 1.00 0.00 C ATOM 795 SG CYS A 239 5.865 0.191 -2.834 1.00 0.00 S ATOM 0 H CYS A 239 6.261 1.072 -0.046 1.00 0.00 H new ATOM 0 HA CYS A 239 5.158 -1.577 0.347 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.178 -1.089 -1.706 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.356 0.504 -0.995 1.00 0.00 H new ATOM 801 N PRO A 240 6.548 -3.131 -1.226 1.00 0.00 N ATOM 802 CA PRO A 240 7.535 -4.141 -1.630 1.00 0.00 C ATOM 803 C PRO A 240 8.316 -3.792 -2.916 1.00 0.00 C ATOM 804 O PRO A 240 9.060 -4.633 -3.420 1.00 0.00 O ATOM 805 CB PRO A 240 6.749 -5.454 -1.745 1.00 0.00 C ATOM 806 CG PRO A 240 5.335 -4.998 -2.085 1.00 0.00 C ATOM 807 CD PRO A 240 5.203 -3.691 -1.308 1.00 0.00 C ATOM 0 HA PRO A 240 8.331 -4.209 -0.888 1.00 0.00 H new ATOM 0 HB2 PRO A 240 7.159 -6.100 -2.521 1.00 0.00 H new ATOM 0 HB3 PRO A 240 6.775 -6.019 -0.813 1.00 0.00 H new ATOM 0 HG2 PRO A 240 5.206 -4.846 -3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 240 4.589 -5.730 -1.775 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.525 -3.004 -1.814 1.00 0.00 H new ATOM 0 HD3 PRO A 240 4.794 -3.869 -0.314 1.00 0.00 H new ATOM 815 N ARG A 241 8.177 -2.557 -3.429 1.00 0.00 N ATOM 816 CA ARG A 241 8.889 -2.018 -4.586 1.00 0.00 C ATOM 817 C ARG A 241 9.443 -0.610 -4.302 1.00 0.00 C ATOM 818 O ARG A 241 9.586 0.211 -5.208 1.00 0.00 O ATOM 819 CB ARG A 241 7.969 -2.030 -5.826 1.00 0.00 C ATOM 820 CG ARG A 241 7.353 -3.396 -6.162 1.00 0.00 C ATOM 821 CD ARG A 241 6.460 -3.273 -7.401 1.00 0.00 C ATOM 822 NE ARG A 241 5.768 -4.537 -7.693 1.00 0.00 N ATOM 823 CZ ARG A 241 4.714 -4.678 -8.512 1.00 0.00 C ATOM 824 NH1 ARG A 241 4.184 -3.638 -9.162 1.00 0.00 N ATOM 825 NH2 ARG A 241 4.176 -5.885 -8.684 1.00 0.00 N ATOM 0 H ARG A 241 7.532 -1.879 -3.023 1.00 0.00 H new ATOM 0 HA ARG A 241 9.748 -2.657 -4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.163 -1.313 -5.669 1.00 0.00 H new ATOM 0 HB3 ARG A 241 8.540 -1.684 -6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 241 8.142 -4.126 -6.342 1.00 0.00 H new ATOM 0 HG3 ARG A 241 6.769 -3.760 -5.316 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.726 -2.483 -7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 241 7.065 -2.981 -8.259 1.00 0.00 H new ATOM 0 HE ARG A 241 6.119 -5.378 -7.234 1.00 0.00 H new ATOM 0 HH11 ARG A 241 4.581 -2.706 -9.042 1.00 0.00 H new ATOM 0 HH12 ARG A 241 3.383 -3.776 -9.778 1.00 0.00 H new ATOM 0 HH21 ARG A 241 4.565 -6.691 -8.195 1.00 0.00 H new ATOM 0 HH22 ARG A 241 3.375 -6.003 -9.304 1.00 0.00 H new ATOM 839 N CYS A 242 9.713 -0.324 -3.023 1.00 0.00 N ATOM 840 CA CYS A 242 10.125 0.974 -2.501 1.00 0.00 C ATOM 841 C CYS A 242 10.977 0.806 -1.234 1.00 0.00 C ATOM 842 O CYS A 242 11.903 1.580 -1.004 1.00 0.00 O ATOM 843 CB CYS A 242 8.837 1.747 -2.202 1.00 0.00 C ATOM 844 SG CYS A 242 9.050 3.539 -2.252 1.00 0.00 S ATOM 0 H CYS A 242 9.645 -1.031 -2.291 1.00 0.00 H new ATOM 0 HA CYS A 242 10.743 1.511 -3.220 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.073 1.459 -2.924 1.00 0.00 H new ATOM 0 HB3 CYS A 242 8.469 1.459 -1.217 1.00 0.00 H new ATOM 0 HG CYS A 242 8.338 4.034 -3.221 1.00 0.00 H new ATOM 850 N SER A 243 10.686 -0.244 -0.452 1.00 0.00 N ATOM 851 CA SER A 243 11.488 -0.704 0.683 1.00 0.00 C ATOM 852 C SER A 243 12.815 -1.334 0.238 1.00 0.00 C ATOM 853 O SER A 243 13.797 -1.264 0.974 1.00 0.00 O ATOM 854 CB SER A 243 10.687 -1.736 1.497 1.00 0.00 C ATOM 855 OG SER A 243 10.300 -2.850 0.716 1.00 0.00 O ATOM 0 H SER A 243 9.854 -0.815 -0.601 1.00 0.00 H new ATOM 0 HA SER A 243 11.720 0.169 1.294 1.00 0.00 H new ATOM 0 HB2 SER A 243 11.288 -2.077 2.340 1.00 0.00 H new ATOM 0 HB3 SER A 243 9.799 -1.259 1.911 1.00 0.00 H new ATOM 0 HG SER A 243 9.524 -2.611 0.167 1.00 0.00 H new ATOM 861 N GLN A 244 12.829 -1.941 -0.959 1.00 0.00 N ATOM 862 CA GLN A 244 13.954 -2.681 -1.517 1.00 0.00 C ATOM 863 C GLN A 244 15.144 -1.769 -1.849 1.00 0.00 C ATOM 864 O GLN A 244 16.288 -2.194 -1.692 1.00 0.00 O ATOM 865 CB GLN A 244 13.446 -3.425 -2.762 1.00 0.00 C ATOM 866 CG GLN A 244 14.470 -4.416 -3.332 1.00 0.00 C ATOM 867 CD GLN A 244 13.878 -5.208 -4.499 1.00 0.00 C ATOM 868 OE1 GLN A 244 13.557 -4.645 -5.542 1.00 0.00 O ATOM 869 NE2 GLN A 244 13.720 -6.521 -4.334 1.00 0.00 N ATOM 0 H GLN A 244 12.022 -1.925 -1.583 1.00 0.00 H new ATOM 0 HA GLN A 244 14.330 -3.389 -0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 244 12.532 -3.962 -2.509 1.00 0.00 H new ATOM 0 HB3 GLN A 244 13.186 -2.698 -3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 244 15.356 -3.876 -3.667 1.00 0.00 H new ATOM 0 HG3 GLN A 244 14.792 -5.102 -2.549 1.00 0.00 H new ATOM 0 HE21 GLN A 244 13.996 -6.962 -3.456 1.00 0.00 H new ATOM 0 HE22 GLN A 244 13.323 -7.085 -5.085 1.00 0.00 H new ATOM 878 N GLU A 245 14.877 -0.526 -2.280 1.00 0.00 N ATOM 879 CA GLU A 245 15.858 0.478 -2.634 1.00 0.00 C ATOM 880 C GLU A 245 16.821 0.770 -1.476 1.00 0.00 C ATOM 881 O GLU A 245 18.033 0.669 -1.656 1.00 0.00 O ATOM 882 CB GLU A 245 15.061 1.714 -3.080 1.00 0.00 C ATOM 883 CG GLU A 245 15.885 2.681 -3.925 1.00 0.00 C ATOM 884 CD GLU A 245 16.912 3.467 -3.110 1.00 0.00 C ATOM 885 OE1 GLU A 245 16.471 4.244 -2.234 1.00 0.00 O ATOM 886 OE2 GLU A 245 18.123 3.272 -3.357 1.00 0.00 O ATOM 0 H GLU A 245 13.920 -0.191 -2.392 1.00 0.00 H new ATOM 0 HA GLU A 245 16.505 0.135 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 245 14.191 1.392 -3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 245 14.688 2.237 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 245 16.401 2.122 -4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 245 15.214 3.380 -4.424 1.00 0.00 H new ATOM 893 N ARG A 246 16.269 1.045 -0.282 1.00 0.00 N ATOM 894 CA ARG A 246 16.976 1.207 0.993 1.00 0.00 C ATOM 895 C ARG A 246 18.148 2.216 0.962 1.00 0.00 C ATOM 896 O ARG A 246 19.101 2.070 1.727 1.00 0.00 O ATOM 897 CB ARG A 246 17.368 -0.199 1.507 1.00 0.00 C ATOM 898 CG ARG A 246 17.493 -0.329 3.034 1.00 0.00 C ATOM 899 CD ARG A 246 16.142 -0.168 3.743 1.00 0.00 C ATOM 900 NE ARG A 246 16.271 -0.364 5.194 1.00 0.00 N ATOM 901 CZ ARG A 246 15.285 -0.203 6.089 1.00 0.00 C ATOM 902 NH1 ARG A 246 14.052 0.152 5.716 1.00 0.00 N ATOM 903 NH2 ARG A 246 15.535 -0.401 7.383 1.00 0.00 N ATOM 0 H ARG A 246 15.262 1.166 -0.179 1.00 0.00 H new ATOM 0 HA ARG A 246 16.299 1.677 1.706 1.00 0.00 H new ATOM 0 HB2 ARG A 246 16.625 -0.916 1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 246 18.319 -0.481 1.056 1.00 0.00 H new ATOM 0 HG2 ARG A 246 17.917 -1.303 3.280 1.00 0.00 H new ATOM 0 HG3 ARG A 246 18.188 0.424 3.405 1.00 0.00 H new ATOM 0 HD2 ARG A 246 15.740 0.825 3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 246 15.429 -0.887 3.339 1.00 0.00 H new ATOM 0 HE ARG A 246 17.185 -0.645 5.549 1.00 0.00 H new ATOM 0 HH11 ARG A 246 13.842 0.307 4.730 1.00 0.00 H new ATOM 0 HH12 ARG A 246 13.320 0.268 6.417 1.00 0.00 H new ATOM 0 HH21 ARG A 246 16.470 -0.673 7.686 1.00 0.00 H new ATOM 0 HH22 ARG A 246 14.791 -0.281 8.070 1.00 0.00 H new ATOM 917 N LYS A 247 18.089 3.228 0.076 1.00 0.00 N ATOM 918 CA LYS A 247 19.173 4.174 -0.232 1.00 0.00 C ATOM 919 C LYS A 247 20.512 3.447 -0.477 1.00 0.00 C ATOM 920 O LYS A 247 21.553 3.856 0.037 1.00 0.00 O ATOM 921 CB LYS A 247 19.231 5.274 0.845 1.00 0.00 C ATOM 922 CG LYS A 247 19.911 6.552 0.320 1.00 0.00 C ATOM 923 CD LYS A 247 20.200 7.575 1.427 1.00 0.00 C ATOM 924 CE LYS A 247 21.304 7.078 2.366 1.00 0.00 C ATOM 925 NZ LYS A 247 21.651 8.093 3.379 1.00 0.00 N ATOM 0 H LYS A 247 17.246 3.415 -0.468 1.00 0.00 H new ATOM 0 HA LYS A 247 18.961 4.677 -1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 247 18.220 5.510 1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 247 19.775 4.904 1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 247 20.846 6.284 -0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 247 19.274 7.012 -0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 247 20.498 8.523 0.980 1.00 0.00 H new ATOM 0 HD3 LYS A 247 19.291 7.764 1.998 1.00 0.00 H new ATOM 0 HE2 LYS A 247 20.977 6.164 2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 247 22.191 6.825 1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 22.401 7.724 3.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 21.986 8.956 2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 20.810 8.316 3.949 1.00 0.00 H new ATOM 939 N LYS A 248 20.441 2.347 -1.243 1.00 0.00 N ATOM 940 CA LYS A 248 21.462 1.320 -1.453 1.00 0.00 C ATOM 941 C LYS A 248 21.863 0.629 -0.141 1.00 0.00 C ATOM 942 O LYS A 248 22.428 1.243 0.765 1.00 0.00 O ATOM 943 CB LYS A 248 22.667 1.855 -2.255 1.00 0.00 C ATOM 944 CG LYS A 248 23.821 0.843 -2.406 1.00 0.00 C ATOM 945 CD LYS A 248 23.449 -0.448 -3.157 1.00 0.00 C ATOM 946 CE LYS A 248 24.514 -1.537 -2.981 1.00 0.00 C ATOM 947 NZ LYS A 248 25.817 -1.148 -3.550 1.00 0.00 N ATOM 0 H LYS A 248 19.595 2.140 -1.774 1.00 0.00 H new ATOM 0 HA LYS A 248 21.015 0.543 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 248 22.327 2.153 -3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 248 23.046 2.752 -1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 248 24.645 1.327 -2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 248 24.186 0.578 -1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 248 22.490 -0.816 -2.794 1.00 0.00 H new ATOM 0 HD3 LYS A 248 23.325 -0.229 -4.218 1.00 0.00 H new ATOM 0 HE2 LYS A 248 24.635 -1.755 -1.920 1.00 0.00 H new ATOM 0 HE3 LYS A 248 24.172 -2.456 -3.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 26.493 -1.930 -3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 25.704 -0.933 -4.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 26.175 -0.306 -3.055 1.00 0.00 H new ATOM 961 N LYS A 249 21.626 -0.688 -0.093 1.00 0.00 N ATOM 962 CA LYS A 249 22.099 -1.583 0.956 1.00 0.00 C ATOM 963 C LYS A 249 22.469 -2.912 0.289 1.00 0.00 C ATOM 964 O LYS A 249 23.689 -3.126 0.113 1.00 0.00 O ATOM 965 CB LYS A 249 21.024 -1.702 2.058 1.00 0.00 C ATOM 966 CG LYS A 249 21.531 -2.268 3.395 1.00 0.00 C ATOM 967 CD LYS A 249 22.019 -3.721 3.330 1.00 0.00 C ATOM 968 CE LYS A 249 22.329 -4.242 4.735 1.00 0.00 C ATOM 969 NZ LYS A 249 22.834 -5.627 4.690 1.00 0.00 N ATOM 970 OXT LYS A 249 21.542 -3.677 -0.055 1.00 0.00 O ATOM 0 H LYS A 249 21.082 -1.170 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 249 22.989 -1.206 1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 249 20.596 -0.716 2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 249 20.218 -2.338 1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 249 22.347 -1.640 3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 249 20.729 -2.200 4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 249 21.258 -4.346 2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 249 22.911 -3.784 2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 249 23.069 -3.597 5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 249 21.429 -4.200 5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 249 23.036 -5.954 5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 249 22.117 -6.244 4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 249 23.706 -5.660 4.124 1.00 0.00 H new TER 984 LYS A 249 HETATM 985 ZN ZN A 301 -4.623 -4.738 -2.526 1.00 0.00 ZN HETATM 986 ZN ZN A 302 5.661 2.687 -2.763 1.00 0.00 ZN