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 178:sc= 0.026 USER MOD Set 1.2: A 242 CYS SG : rot 101:sc= 1.36 USER MOD Single : A 187 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 189 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 194 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 197 THR OG1 : rot -47:sc= 0.368 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 199 CYS SG : rot -166:sc= -1.04 USER MOD Single : A 202 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.21) USER MOD Single : A 203 GLN : amide:sc= 0.301 X(o=0.3,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 209 MET CE :methyl 156:sc= -0.286 (180deg=-0.601) USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD Single : A 223 HIS : no HD1:sc= -0.817 X(o=-0.82,f=-0.44) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 THR OG1 : rot 180:sc= 0 USER MOD Single : A 232 LYS NZ :NH3+ -122:sc= -0.0156 (180deg=-0.934) USER MOD Single : A 236 LYS NZ :NH3+ -141:sc=-0.00666 (180deg=-1.29) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= -0.0605 K(o=-0.061,f=-1.1) USER MOD Single : A 247 LYS NZ :NH3+ 160:sc= -0.0584 (180deg=-0.636) USER MOD Single : A 248 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.022) USER MOD Single : A 249 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 187 -26.272 7.253 -4.463 1.00 0.00 N ATOM 2 CA MET A 187 -25.871 7.570 -5.847 1.00 0.00 C ATOM 3 C MET A 187 -24.996 8.817 -5.857 1.00 0.00 C ATOM 4 O MET A 187 -25.411 9.872 -5.379 1.00 0.00 O ATOM 5 CB MET A 187 -27.083 7.749 -6.773 1.00 0.00 C ATOM 6 CG MET A 187 -27.843 6.435 -6.975 1.00 0.00 C ATOM 7 SD MET A 187 -29.232 6.571 -8.130 1.00 0.00 S ATOM 8 CE MET A 187 -29.828 4.861 -8.086 1.00 0.00 C ATOM 0 HA MET A 187 -25.300 6.725 -6.232 1.00 0.00 H new ATOM 0 HB2 MET A 187 -27.755 8.497 -6.352 1.00 0.00 H new ATOM 0 HB3 MET A 187 -26.750 8.128 -7.739 1.00 0.00 H new ATOM 0 HG2 MET A 187 -27.150 5.677 -7.340 1.00 0.00 H new ATOM 0 HG3 MET A 187 -28.215 6.088 -6.011 1.00 0.00 H new ATOM 0 HE1 MET A 187 -30.690 4.759 -8.746 1.00 0.00 H new ATOM 0 HE2 MET A 187 -29.035 4.191 -8.418 1.00 0.00 H new ATOM 0 HE3 MET A 187 -30.118 4.603 -7.068 1.00 0.00 H new ATOM 20 N ASP A 188 -23.776 8.664 -6.383 1.00 0.00 N ATOM 21 CA ASP A 188 -22.735 9.690 -6.383 1.00 0.00 C ATOM 22 C ASP A 188 -21.755 9.463 -7.543 1.00 0.00 C ATOM 23 O ASP A 188 -21.444 10.419 -8.250 1.00 0.00 O ATOM 24 CB ASP A 188 -22.012 9.698 -5.021 1.00 0.00 C ATOM 25 CG ASP A 188 -21.591 8.304 -4.538 1.00 0.00 C ATOM 26 OD1 ASP A 188 -22.436 7.641 -3.894 1.00 0.00 O ATOM 27 OD2 ASP A 188 -20.441 7.914 -4.835 1.00 0.00 O ATOM 0 H ASP A 188 -23.480 7.797 -6.832 1.00 0.00 H new ATOM 0 HA ASP A 188 -23.192 10.668 -6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 188 -21.127 10.330 -5.093 1.00 0.00 H new ATOM 0 HB3 ASP A 188 -22.666 10.149 -4.275 1.00 0.00 H new ATOM 32 N MET A 189 -21.349 8.199 -7.762 1.00 0.00 N ATOM 33 CA MET A 189 -20.593 7.675 -8.905 1.00 0.00 C ATOM 34 C MET A 189 -19.575 8.670 -9.508 1.00 0.00 C ATOM 35 O MET A 189 -19.732 9.070 -10.664 1.00 0.00 O ATOM 36 CB MET A 189 -21.577 7.109 -9.948 1.00 0.00 C ATOM 37 CG MET A 189 -22.436 5.973 -9.380 1.00 0.00 C ATOM 38 SD MET A 189 -23.581 5.240 -10.577 1.00 0.00 S ATOM 39 CE MET A 189 -24.354 3.992 -9.516 1.00 0.00 C ATOM 0 H MET A 189 -21.560 7.463 -7.089 1.00 0.00 H new ATOM 0 HA MET A 189 -19.961 6.866 -8.538 1.00 0.00 H new ATOM 0 HB2 MET A 189 -22.226 7.909 -10.304 1.00 0.00 H new ATOM 0 HB3 MET A 189 -21.019 6.744 -10.810 1.00 0.00 H new ATOM 0 HG2 MET A 189 -21.779 5.192 -8.997 1.00 0.00 H new ATOM 0 HG3 MET A 189 -23.007 6.353 -8.533 1.00 0.00 H new ATOM 0 HE1 MET A 189 -25.096 3.436 -10.089 1.00 0.00 H new ATOM 0 HE2 MET A 189 -23.592 3.306 -9.147 1.00 0.00 H new ATOM 0 HE3 MET A 189 -24.840 4.482 -8.673 1.00 0.00 H new ATOM 49 N PRO A 190 -18.553 9.109 -8.743 1.00 0.00 N ATOM 50 CA PRO A 190 -17.572 10.091 -9.199 1.00 0.00 C ATOM 51 C PRO A 190 -16.677 9.539 -10.318 1.00 0.00 C ATOM 52 O PRO A 190 -16.541 8.327 -10.492 1.00 0.00 O ATOM 53 CB PRO A 190 -16.760 10.469 -7.954 1.00 0.00 C ATOM 54 CG PRO A 190 -16.842 9.215 -7.088 1.00 0.00 C ATOM 55 CD PRO A 190 -18.247 8.693 -7.381 1.00 0.00 C ATOM 0 HA PRO A 190 -18.061 10.961 -9.637 1.00 0.00 H new ATOM 0 HB2 PRO A 190 -15.729 10.717 -8.206 1.00 0.00 H new ATOM 0 HB3 PRO A 190 -17.182 11.337 -7.447 1.00 0.00 H new ATOM 0 HG2 PRO A 190 -16.076 8.487 -7.356 1.00 0.00 H new ATOM 0 HG3 PRO A 190 -16.708 9.444 -6.031 1.00 0.00 H new ATOM 0 HD2 PRO A 190 -18.288 7.608 -7.286 1.00 0.00 H new ATOM 0 HD3 PRO A 190 -18.970 9.102 -6.676 1.00 0.00 H new ATOM 63 N VAL A 191 -16.049 10.464 -11.055 1.00 0.00 N ATOM 64 CA VAL A 191 -15.216 10.188 -12.231 1.00 0.00 C ATOM 65 C VAL A 191 -13.939 11.055 -12.237 1.00 0.00 C ATOM 66 O VAL A 191 -13.119 10.939 -13.146 1.00 0.00 O ATOM 67 CB VAL A 191 -16.091 10.346 -13.500 1.00 0.00 C ATOM 68 CG1 VAL A 191 -16.437 11.813 -13.808 1.00 0.00 C ATOM 69 CG2 VAL A 191 -15.472 9.681 -14.740 1.00 0.00 C ATOM 0 H VAL A 191 -16.109 11.459 -10.841 1.00 0.00 H new ATOM 0 HA VAL A 191 -14.849 9.162 -12.205 1.00 0.00 H new ATOM 0 HB VAL A 191 -17.018 9.823 -13.265 1.00 0.00 H new ATOM 0 HG11 VAL A 191 -17.051 11.861 -14.707 1.00 0.00 H new ATOM 0 HG12 VAL A 191 -16.987 12.241 -12.970 1.00 0.00 H new ATOM 0 HG13 VAL A 191 -15.518 12.378 -13.965 1.00 0.00 H new ATOM 0 HG21 VAL A 191 -16.130 9.825 -15.597 1.00 0.00 H new ATOM 0 HG22 VAL A 191 -14.501 10.131 -14.948 1.00 0.00 H new ATOM 0 HG23 VAL A 191 -15.345 8.614 -14.556 1.00 0.00 H new ATOM 79 N ASP A 192 -13.758 11.898 -11.207 1.00 0.00 N ATOM 80 CA ASP A 192 -12.591 12.746 -10.988 1.00 0.00 C ATOM 81 C ASP A 192 -11.256 11.975 -11.050 1.00 0.00 C ATOM 82 O ASP A 192 -10.355 12.467 -11.731 1.00 0.00 O ATOM 83 CB ASP A 192 -12.751 13.512 -9.664 1.00 0.00 C ATOM 84 CG ASP A 192 -14.068 14.290 -9.603 1.00 0.00 C ATOM 85 OD1 ASP A 192 -15.076 13.673 -9.189 1.00 0.00 O ATOM 86 OD2 ASP A 192 -14.049 15.481 -9.983 1.00 0.00 O ATOM 0 H ASP A 192 -14.459 12.006 -10.474 1.00 0.00 H new ATOM 0 HA ASP A 192 -12.544 13.460 -11.810 1.00 0.00 H new ATOM 0 HB2 ASP A 192 -12.707 12.809 -8.832 1.00 0.00 H new ATOM 0 HB3 ASP A 192 -11.917 14.203 -9.542 1.00 0.00 H new ATOM 91 N PRO A 193 -11.096 10.779 -10.431 1.00 0.00 N ATOM 92 CA PRO A 193 -9.931 9.938 -10.671 1.00 0.00 C ATOM 93 C PRO A 193 -10.058 9.277 -12.050 1.00 0.00 C ATOM 94 O PRO A 193 -10.906 8.409 -12.258 1.00 0.00 O ATOM 95 CB PRO A 193 -9.901 8.915 -9.531 1.00 0.00 C ATOM 96 CG PRO A 193 -11.370 8.777 -9.137 1.00 0.00 C ATOM 97 CD PRO A 193 -11.941 10.170 -9.404 1.00 0.00 C ATOM 0 HA PRO A 193 -8.998 10.502 -10.682 1.00 0.00 H new ATOM 0 HB2 PRO A 193 -9.482 7.963 -9.857 1.00 0.00 H new ATOM 0 HB3 PRO A 193 -9.292 9.262 -8.696 1.00 0.00 H new ATOM 0 HG2 PRO A 193 -11.875 8.015 -9.731 1.00 0.00 H new ATOM 0 HG3 PRO A 193 -11.480 8.491 -8.091 1.00 0.00 H new ATOM 0 HD2 PRO A 193 -12.976 10.106 -9.741 1.00 0.00 H new ATOM 0 HD3 PRO A 193 -11.939 10.770 -8.494 1.00 0.00 H new ATOM 105 N ASN A 194 -9.191 9.687 -12.984 1.00 0.00 N ATOM 106 CA ASN A 194 -9.072 9.084 -14.312 1.00 0.00 C ATOM 107 C ASN A 194 -8.391 7.701 -14.276 1.00 0.00 C ATOM 108 O ASN A 194 -8.351 7.020 -15.301 1.00 0.00 O ATOM 109 CB ASN A 194 -8.299 10.046 -15.229 1.00 0.00 C ATOM 110 CG ASN A 194 -9.021 11.383 -15.405 1.00 0.00 C ATOM 111 OD1 ASN A 194 -10.161 11.425 -15.858 1.00 0.00 O ATOM 112 ND2 ASN A 194 -8.365 12.486 -15.050 1.00 0.00 N ATOM 0 H ASN A 194 -8.543 10.460 -12.833 1.00 0.00 H new ATOM 0 HA ASN A 194 -10.077 8.920 -14.701 1.00 0.00 H new ATOM 0 HB2 ASN A 194 -7.307 10.223 -14.813 1.00 0.00 H new ATOM 0 HB3 ASN A 194 -8.158 9.580 -16.204 1.00 0.00 H new ATOM 0 HD21 ASN A 194 -8.809 13.399 -15.152 1.00 0.00 H new ATOM 0 HD22 ASN A 194 -7.418 12.418 -14.677 1.00 0.00 H new ATOM 119 N GLU A 195 -7.867 7.286 -13.111 1.00 0.00 N ATOM 120 CA GLU A 195 -7.172 6.023 -12.896 1.00 0.00 C ATOM 121 C GLU A 195 -7.491 5.529 -11.468 1.00 0.00 C ATOM 122 O GLU A 195 -6.648 5.645 -10.580 1.00 0.00 O ATOM 123 CB GLU A 195 -5.668 6.234 -13.183 1.00 0.00 C ATOM 124 CG GLU A 195 -4.895 4.947 -13.513 1.00 0.00 C ATOM 125 CD GLU A 195 -4.750 3.986 -12.332 1.00 0.00 C ATOM 126 OE1 GLU A 195 -3.890 4.265 -11.467 1.00 0.00 O ATOM 127 OE2 GLU A 195 -5.487 2.976 -12.331 1.00 0.00 O ATOM 0 H GLU A 195 -7.923 7.851 -12.263 1.00 0.00 H new ATOM 0 HA GLU A 195 -7.505 5.238 -13.575 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -5.564 6.929 -14.016 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -5.208 6.706 -12.315 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -5.402 4.430 -14.328 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -3.902 5.215 -13.874 1.00 0.00 H new ATOM 134 N PRO A 196 -8.724 5.046 -11.201 1.00 0.00 N ATOM 135 CA PRO A 196 -9.114 4.495 -9.904 1.00 0.00 C ATOM 136 C PRO A 196 -8.541 3.080 -9.708 1.00 0.00 C ATOM 137 O PRO A 196 -8.241 2.395 -10.686 1.00 0.00 O ATOM 138 CB PRO A 196 -10.644 4.481 -9.933 1.00 0.00 C ATOM 139 CG PRO A 196 -10.961 4.226 -11.406 1.00 0.00 C ATOM 140 CD PRO A 196 -9.837 4.958 -12.139 1.00 0.00 C ATOM 0 HA PRO A 196 -8.729 5.084 -9.072 1.00 0.00 H new ATOM 0 HB2 PRO A 196 -11.052 3.700 -9.292 1.00 0.00 H new ATOM 0 HB3 PRO A 196 -11.062 5.427 -9.589 1.00 0.00 H new ATOM 0 HG2 PRO A 196 -10.966 3.161 -11.638 1.00 0.00 H new ATOM 0 HG3 PRO A 196 -11.941 4.616 -11.680 1.00 0.00 H new ATOM 0 HD2 PRO A 196 -9.544 4.418 -13.040 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -10.160 5.951 -12.453 1.00 0.00 H new ATOM 148 N THR A 197 -8.448 2.641 -8.439 1.00 0.00 N ATOM 149 CA THR A 197 -7.783 1.418 -7.965 1.00 0.00 C ATOM 150 C THR A 197 -6.263 1.445 -8.216 1.00 0.00 C ATOM 151 O THR A 197 -5.809 2.056 -9.182 1.00 0.00 O ATOM 152 CB THR A 197 -8.490 0.143 -8.437 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.996 -0.350 -9.662 1.00 0.00 O ATOM 154 CG2 THR A 197 -10.023 0.226 -8.493 1.00 0.00 C ATOM 0 H THR A 197 -8.863 3.167 -7.670 1.00 0.00 H new ATOM 0 HA THR A 197 -7.883 1.395 -6.880 1.00 0.00 H new ATOM 0 HB THR A 197 -8.244 -0.566 -7.647 1.00 0.00 H new ATOM 0 HG1 THR A 197 -7.928 0.385 -10.307 1.00 0.00 H new ATOM 0 HG21 THR A 197 -10.427 -0.726 -8.839 1.00 0.00 H new ATOM 0 HG22 THR A 197 -10.412 0.446 -7.499 1.00 0.00 H new ATOM 0 HG23 THR A 197 -10.320 1.017 -9.182 1.00 0.00 H new ATOM 162 N TYR A 198 -5.456 0.827 -7.327 1.00 0.00 N ATOM 163 CA TYR A 198 -4.003 1.069 -7.355 1.00 0.00 C ATOM 164 C TYR A 198 -3.152 -0.064 -6.773 1.00 0.00 C ATOM 165 O TYR A 198 -2.145 -0.403 -7.391 1.00 0.00 O ATOM 166 CB TYR A 198 -3.658 2.358 -6.588 1.00 0.00 C ATOM 167 CG TYR A 198 -4.537 3.580 -6.825 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.763 3.726 -6.141 1.00 0.00 C ATOM 169 CD2 TYR A 198 -4.143 4.561 -7.755 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.597 4.829 -6.386 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.969 5.672 -8.005 1.00 0.00 C ATOM 172 CZ TYR A 198 -6.204 5.806 -7.329 1.00 0.00 C ATOM 173 OH TYR A 198 -7.022 6.864 -7.597 1.00 0.00 O ATOM 0 H TYR A 198 -5.774 0.179 -6.606 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.759 1.147 -8.414 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.680 2.130 -5.522 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.632 2.630 -6.834 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -6.063 2.980 -5.420 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -3.204 4.460 -8.278 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.533 4.930 -5.857 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -4.659 6.425 -8.715 1.00 0.00 H new ATOM 0 HH TYR A 198 -6.601 7.441 -8.268 1.00 0.00 H new ATOM 183 N CYS A 199 -3.538 -0.643 -5.618 1.00 0.00 N ATOM 184 CA CYS A 199 -2.990 -1.867 -5.036 1.00 0.00 C ATOM 185 C CYS A 199 -2.643 -2.950 -6.055 1.00 0.00 C ATOM 186 O CYS A 199 -3.094 -2.968 -7.201 1.00 0.00 O ATOM 187 CB CYS A 199 -4.070 -2.493 -4.131 1.00 0.00 C ATOM 188 SG CYS A 199 -5.685 -2.420 -4.849 1.00 0.00 S ATOM 0 H CYS A 199 -4.279 -0.242 -5.043 1.00 0.00 H new ATOM 0 HA CYS A 199 -2.077 -1.568 -4.521 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.812 -3.533 -3.930 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -4.079 -1.976 -3.172 1.00 0.00 H new ATOM 0 HG CYS A 199 -6.577 -2.679 -3.939 1.00 0.00 H new ATOM 193 N LEU A 200 -1.949 -3.962 -5.536 1.00 0.00 N ATOM 194 CA LEU A 200 -1.725 -5.209 -6.248 1.00 0.00 C ATOM 195 C LEU A 200 -3.033 -6.004 -6.344 1.00 0.00 C ATOM 196 O LEU A 200 -3.060 -7.030 -7.020 1.00 0.00 O ATOM 197 CB LEU A 200 -0.636 -6.051 -5.554 1.00 0.00 C ATOM 198 CG LEU A 200 0.539 -5.247 -4.964 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.498 -6.191 -4.228 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.317 -4.456 -6.028 1.00 0.00 C ATOM 0 H LEU A 200 -1.527 -3.935 -4.608 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.380 -4.972 -7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -1.100 -6.627 -4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -0.240 -6.768 -6.273 1.00 0.00 H new ATOM 0 HG LEU A 200 0.110 -4.523 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.327 -5.617 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 200 0.965 -6.694 -3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 200 1.885 -6.934 -4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.132 -3.910 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 200 1.725 -5.145 -6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.647 -3.751 -6.520 1.00 0.00 H new ATOM 212 N CYS A 201 -4.110 -5.534 -5.683 1.00 0.00 N ATOM 213 CA CYS A 201 -5.422 -6.114 -5.792 1.00 0.00 C ATOM 214 C CYS A 201 -6.285 -5.377 -6.824 1.00 0.00 C ATOM 215 O CYS A 201 -7.330 -5.900 -7.209 1.00 0.00 O ATOM 216 CB CYS A 201 -6.042 -5.994 -4.413 1.00 0.00 C ATOM 217 SG CYS A 201 -5.231 -7.067 -3.196 1.00 0.00 S ATOM 0 H CYS A 201 -4.070 -4.730 -5.056 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.358 -7.149 -6.128 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.981 -4.958 -4.079 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -7.100 -6.248 -4.470 1.00 0.00 H new ATOM 222 N HIS A 202 -5.847 -4.175 -7.242 1.00 0.00 N ATOM 223 CA HIS A 202 -6.550 -3.241 -8.120 1.00 0.00 C ATOM 224 C HIS A 202 -8.024 -3.053 -7.717 1.00 0.00 C ATOM 225 O HIS A 202 -8.927 -3.188 -8.543 1.00 0.00 O ATOM 226 CB HIS A 202 -6.283 -3.562 -9.604 1.00 0.00 C ATOM 227 CG HIS A 202 -6.677 -4.948 -10.055 1.00 0.00 C ATOM 228 ND1 HIS A 202 -7.945 -5.374 -10.377 1.00 0.00 N ATOM 229 CD2 HIS A 202 -5.841 -6.022 -10.207 1.00 0.00 C ATOM 230 CE1 HIS A 202 -7.868 -6.675 -10.707 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.603 -7.119 -10.621 1.00 0.00 N ATOM 0 H HIS A 202 -4.937 -3.815 -6.954 1.00 0.00 H new ATOM 0 HA HIS A 202 -6.133 -2.244 -7.982 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.817 -2.835 -10.216 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -5.220 -3.424 -9.801 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -4.775 -6.022 -10.036 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -8.711 -7.282 -11.002 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -6.267 -8.062 -10.817 1.00 0.00 H new ATOM 239 N GLN A 203 -8.252 -2.732 -6.429 1.00 0.00 N ATOM 240 CA GLN A 203 -9.563 -2.462 -5.841 1.00 0.00 C ATOM 241 C GLN A 203 -9.344 -1.876 -4.446 1.00 0.00 C ATOM 242 O GLN A 203 -8.462 -2.334 -3.732 1.00 0.00 O ATOM 243 CB GLN A 203 -10.421 -3.744 -5.765 1.00 0.00 C ATOM 244 CG GLN A 203 -9.836 -4.851 -4.872 1.00 0.00 C ATOM 245 CD GLN A 203 -10.515 -6.195 -5.119 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.483 -6.541 -4.450 1.00 0.00 O ATOM 247 NE2 GLN A 203 -10.010 -6.963 -6.084 1.00 0.00 N ATOM 0 H GLN A 203 -7.495 -2.653 -5.750 1.00 0.00 H new ATOM 0 HA GLN A 203 -10.106 -1.755 -6.468 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.412 -3.481 -5.394 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.552 -4.139 -6.773 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.767 -4.944 -5.061 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.951 -4.572 -3.825 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -9.204 -6.643 -6.621 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.430 -7.870 -6.286 1.00 0.00 H new ATOM 256 N VAL A 204 -10.162 -0.896 -4.055 1.00 0.00 N ATOM 257 CA VAL A 204 -10.154 -0.251 -2.724 1.00 0.00 C ATOM 258 C VAL A 204 -11.553 -0.342 -2.069 1.00 0.00 C ATOM 259 O VAL A 204 -12.496 -0.839 -2.684 1.00 0.00 O ATOM 260 CB VAL A 204 -9.568 1.195 -2.761 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.834 1.552 -1.443 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.585 1.419 -3.925 1.00 0.00 C ATOM 0 H VAL A 204 -10.876 -0.510 -4.673 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.469 -0.805 -2.082 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.434 1.843 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.441 2.566 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.532 1.487 -0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -8.012 0.854 -1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -8.213 2.443 -3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.748 0.726 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -9.097 1.246 -4.872 1.00 0.00 H new ATOM 272 N SER A 205 -11.670 0.110 -0.808 1.00 0.00 N ATOM 273 CA SER A 205 -12.853 0.000 0.059 1.00 0.00 C ATOM 274 C SER A 205 -13.187 -1.454 0.461 1.00 0.00 C ATOM 275 O SER A 205 -14.249 -1.980 0.131 1.00 0.00 O ATOM 276 CB SER A 205 -14.038 0.789 -0.522 1.00 0.00 C ATOM 277 OG SER A 205 -15.018 0.999 0.473 1.00 0.00 O ATOM 0 H SER A 205 -10.898 0.588 -0.342 1.00 0.00 H new ATOM 0 HA SER A 205 -12.608 0.474 1.009 1.00 0.00 H new ATOM 0 HB2 SER A 205 -13.692 1.747 -0.910 1.00 0.00 H new ATOM 0 HB3 SER A 205 -14.471 0.244 -1.360 1.00 0.00 H new ATOM 0 HG SER A 205 -15.767 1.504 0.093 1.00 0.00 H new ATOM 283 N TYR A 206 -12.240 -2.105 1.154 1.00 0.00 N ATOM 284 CA TYR A 206 -12.277 -3.500 1.601 1.00 0.00 C ATOM 285 C TYR A 206 -11.201 -3.677 2.686 1.00 0.00 C ATOM 286 O TYR A 206 -10.017 -3.433 2.440 1.00 0.00 O ATOM 287 CB TYR A 206 -12.066 -4.489 0.424 1.00 0.00 C ATOM 288 CG TYR A 206 -10.687 -4.520 -0.232 1.00 0.00 C ATOM 289 CD1 TYR A 206 -10.066 -3.318 -0.606 1.00 0.00 C ATOM 290 CD2 TYR A 206 -10.002 -5.737 -0.450 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.763 -3.311 -1.086 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.709 -5.741 -1.017 1.00 0.00 C ATOM 293 CZ TYR A 206 -8.077 -4.511 -1.321 1.00 0.00 C ATOM 294 OH TYR A 206 -6.830 -4.416 -1.864 1.00 0.00 O ATOM 0 H TYR A 206 -11.376 -1.640 1.433 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.261 -3.728 2.011 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.290 -5.493 0.784 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.800 -4.256 -0.347 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.608 -2.388 -0.519 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.472 -6.672 -0.181 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -8.272 -2.369 -1.281 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.206 -6.675 -1.217 1.00 0.00 H new ATOM 304 N GLY A 207 -11.610 -4.073 3.900 1.00 0.00 N ATOM 305 CA GLY A 207 -10.753 -4.131 5.062 1.00 0.00 C ATOM 306 C GLY A 207 -10.203 -2.754 5.420 1.00 0.00 C ATOM 307 O GLY A 207 -10.803 -1.711 5.158 1.00 0.00 O ATOM 0 H GLY A 207 -12.568 -4.365 4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.312 -4.532 5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -9.927 -4.816 4.872 1.00 0.00 H new ATOM 311 N GLU A 208 -9.022 -2.816 6.019 1.00 0.00 N ATOM 312 CA GLU A 208 -8.144 -1.689 6.322 1.00 0.00 C ATOM 313 C GLU A 208 -7.112 -1.469 5.202 1.00 0.00 C ATOM 314 O GLU A 208 -6.963 -2.292 4.299 1.00 0.00 O ATOM 315 CB GLU A 208 -7.506 -1.876 7.713 1.00 0.00 C ATOM 316 CG GLU A 208 -6.469 -3.002 7.827 1.00 0.00 C ATOM 317 CD GLU A 208 -7.067 -4.406 7.706 1.00 0.00 C ATOM 318 OE1 GLU A 208 -7.637 -4.873 8.716 1.00 0.00 O ATOM 319 OE2 GLU A 208 -6.962 -4.983 6.601 1.00 0.00 O ATOM 0 H GLU A 208 -8.626 -3.705 6.325 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.734 -0.773 6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -7.030 -0.939 8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -8.301 -2.066 8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -5.716 -2.870 7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -5.957 -2.916 8.786 1.00 0.00 H new ATOM 326 N MET A 209 -6.405 -0.333 5.267 1.00 0.00 N ATOM 327 CA MET A 209 -5.545 0.182 4.198 1.00 0.00 C ATOM 328 C MET A 209 -4.221 0.708 4.744 1.00 0.00 C ATOM 329 O MET A 209 -4.102 1.016 5.931 1.00 0.00 O ATOM 330 CB MET A 209 -6.275 1.320 3.455 1.00 0.00 C ATOM 331 CG MET A 209 -7.575 0.898 2.757 1.00 0.00 C ATOM 332 SD MET A 209 -9.063 0.979 3.788 1.00 0.00 S ATOM 333 CE MET A 209 -10.262 0.324 2.605 1.00 0.00 C ATOM 0 H MET A 209 -6.417 0.269 6.090 1.00 0.00 H new ATOM 0 HA MET A 209 -5.329 -0.641 3.516 1.00 0.00 H new ATOM 0 HB2 MET A 209 -6.502 2.114 4.167 1.00 0.00 H new ATOM 0 HB3 MET A 209 -5.599 1.742 2.711 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.722 1.533 1.883 1.00 0.00 H new ATOM 0 HG3 MET A 209 -7.459 -0.123 2.393 1.00 0.00 H new ATOM 0 HE1 MET A 209 -11.110 -0.099 3.143 1.00 0.00 H new ATOM 0 HE2 MET A 209 -10.608 1.128 1.955 1.00 0.00 H new ATOM 0 HE3 MET A 209 -9.791 -0.453 2.002 1.00 0.00 H new ATOM 343 N ILE A 210 -3.239 0.851 3.842 1.00 0.00 N ATOM 344 CA ILE A 210 -1.987 1.528 4.102 1.00 0.00 C ATOM 345 C ILE A 210 -1.675 2.377 2.864 1.00 0.00 C ATOM 346 O ILE A 210 -2.562 3.026 2.308 1.00 0.00 O ATOM 347 CB ILE A 210 -0.916 0.518 4.613 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.286 1.236 5.261 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.470 -0.599 3.651 1.00 0.00 C ATOM 350 CD1 ILE A 210 1.081 0.393 6.261 1.00 0.00 C ATOM 0 H ILE A 210 -3.308 0.486 2.892 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.019 2.235 4.931 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.462 -0.038 5.375 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.960 1.568 4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 210 -0.075 2.130 5.769 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.277 -1.224 4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.331 -1.209 3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.040 -0.156 2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 210 1.904 0.984 6.662 1.00 0.00 H new ATOM 0 HD12 ILE A 210 0.427 0.082 7.076 1.00 0.00 H new ATOM 0 HD13 ILE A 210 1.479 -0.489 5.759 1.00 0.00 H new ATOM 362 N GLY A 211 -0.412 2.405 2.469 1.00 0.00 N ATOM 363 CA GLY A 211 0.142 3.293 1.476 1.00 0.00 C ATOM 364 C GLY A 211 1.582 3.646 1.786 1.00 0.00 C ATOM 365 O GLY A 211 1.917 4.003 2.914 1.00 0.00 O ATOM 0 H GLY A 211 0.287 1.772 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 211 0.085 2.823 0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.455 4.204 1.428 1.00 0.00 H new ATOM 369 N CYS A 212 2.417 3.531 0.748 1.00 0.00 N ATOM 370 CA CYS A 212 3.834 3.862 0.817 1.00 0.00 C ATOM 371 C CYS A 212 3.969 5.361 1.093 1.00 0.00 C ATOM 372 O CYS A 212 3.447 6.180 0.337 1.00 0.00 O ATOM 373 CB CYS A 212 4.583 3.445 -0.460 1.00 0.00 C ATOM 374 SG CYS A 212 6.327 3.953 -0.312 1.00 0.00 S ATOM 0 H CYS A 212 2.120 3.202 -0.170 1.00 0.00 H new ATOM 0 HA CYS A 212 4.297 3.301 1.629 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.515 2.366 -0.602 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.127 3.911 -1.334 1.00 0.00 H new ATOM 0 HG CYS A 212 6.981 3.573 -1.369 1.00 0.00 H new ATOM 379 N ASP A 213 4.685 5.692 2.176 1.00 0.00 N ATOM 380 CA ASP A 213 4.919 7.053 2.651 1.00 0.00 C ATOM 381 C ASP A 213 5.789 7.901 1.699 1.00 0.00 C ATOM 382 O ASP A 213 6.036 9.068 2.000 1.00 0.00 O ATOM 383 CB ASP A 213 5.535 6.983 4.057 1.00 0.00 C ATOM 384 CG ASP A 213 4.549 6.488 5.119 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.256 5.273 5.117 1.00 0.00 O ATOM 386 OD2 ASP A 213 4.133 7.329 5.944 1.00 0.00 O ATOM 0 H ASP A 213 5.132 4.989 2.764 1.00 0.00 H new ATOM 0 HA ASP A 213 3.957 7.565 2.683 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.400 6.321 4.036 1.00 0.00 H new ATOM 0 HB3 ASP A 213 5.897 7.972 4.338 1.00 0.00 H new ATOM 391 N ASP A 214 6.249 7.343 0.567 1.00 0.00 N ATOM 392 CA ASP A 214 6.869 8.087 -0.522 1.00 0.00 C ATOM 393 C ASP A 214 5.775 8.924 -1.214 1.00 0.00 C ATOM 394 O ASP A 214 4.847 8.335 -1.773 1.00 0.00 O ATOM 395 CB ASP A 214 7.499 7.073 -1.493 1.00 0.00 C ATOM 396 CG ASP A 214 8.112 7.684 -2.754 1.00 0.00 C ATOM 397 OD1 ASP A 214 8.471 8.881 -2.718 1.00 0.00 O ATOM 398 OD2 ASP A 214 8.213 6.924 -3.742 1.00 0.00 O ATOM 0 H ASP A 214 6.195 6.340 0.388 1.00 0.00 H new ATOM 0 HA ASP A 214 7.648 8.760 -0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.273 6.517 -0.963 1.00 0.00 H new ATOM 0 HB3 ASP A 214 6.736 6.353 -1.790 1.00 0.00 H new ATOM 403 N PRO A 215 5.856 10.272 -1.210 1.00 0.00 N ATOM 404 CA PRO A 215 4.871 11.138 -1.859 1.00 0.00 C ATOM 405 C PRO A 215 5.028 11.193 -3.390 1.00 0.00 C ATOM 406 O PRO A 215 4.290 11.923 -4.050 1.00 0.00 O ATOM 407 CB PRO A 215 5.078 12.512 -1.216 1.00 0.00 C ATOM 408 CG PRO A 215 6.584 12.534 -0.964 1.00 0.00 C ATOM 409 CD PRO A 215 6.886 11.086 -0.578 1.00 0.00 C ATOM 0 HA PRO A 215 3.859 10.759 -1.714 1.00 0.00 H new ATOM 0 HB2 PRO A 215 4.765 13.321 -1.876 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.510 12.617 -0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 215 7.138 12.840 -1.852 1.00 0.00 H new ATOM 0 HG3 PRO A 215 6.850 13.229 -0.167 1.00 0.00 H new ATOM 0 HD2 PRO A 215 7.878 10.791 -0.919 1.00 0.00 H new ATOM 0 HD3 PRO A 215 6.871 10.961 0.505 1.00 0.00 H new ATOM 417 N ASP A 216 5.958 10.402 -3.943 1.00 0.00 N ATOM 418 CA ASP A 216 6.180 10.215 -5.372 1.00 0.00 C ATOM 419 C ASP A 216 5.926 8.748 -5.769 1.00 0.00 C ATOM 420 O ASP A 216 6.163 8.373 -6.919 1.00 0.00 O ATOM 421 CB ASP A 216 7.597 10.706 -5.719 1.00 0.00 C ATOM 422 CG ASP A 216 7.830 10.848 -7.226 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.093 11.645 -7.847 1.00 0.00 O ATOM 424 OD2 ASP A 216 8.754 10.172 -7.731 1.00 0.00 O ATOM 0 H ASP A 216 6.602 9.853 -3.375 1.00 0.00 H new ATOM 0 HA ASP A 216 5.473 10.806 -5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 216 7.770 11.669 -5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.328 10.009 -5.308 1.00 0.00 H new ATOM 429 N CYS A 217 5.406 7.921 -4.841 1.00 0.00 N ATOM 430 CA CYS A 217 4.935 6.578 -5.145 1.00 0.00 C ATOM 431 C CYS A 217 3.835 6.644 -6.212 1.00 0.00 C ATOM 432 O CYS A 217 2.840 7.353 -6.060 1.00 0.00 O ATOM 433 CB CYS A 217 4.402 5.941 -3.865 1.00 0.00 C ATOM 434 SG CYS A 217 3.867 4.237 -4.155 1.00 0.00 S ATOM 0 H CYS A 217 5.305 8.178 -3.859 1.00 0.00 H new ATOM 0 HA CYS A 217 5.754 5.973 -5.533 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.177 5.956 -3.098 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.566 6.528 -3.485 1.00 0.00 H new ATOM 440 N SER A 218 4.030 5.863 -7.278 1.00 0.00 N ATOM 441 CA SER A 218 3.159 5.796 -8.457 1.00 0.00 C ATOM 442 C SER A 218 1.871 4.985 -8.218 1.00 0.00 C ATOM 443 O SER A 218 1.117 4.749 -9.159 1.00 0.00 O ATOM 444 CB SER A 218 3.957 5.202 -9.626 1.00 0.00 C ATOM 445 OG SER A 218 5.026 6.055 -9.983 1.00 0.00 O ATOM 0 H SER A 218 4.831 5.235 -7.347 1.00 0.00 H new ATOM 0 HA SER A 218 2.835 6.811 -8.687 1.00 0.00 H new ATOM 0 HB2 SER A 218 4.344 4.222 -9.348 1.00 0.00 H new ATOM 0 HB3 SER A 218 3.301 5.054 -10.484 1.00 0.00 H new ATOM 0 HG SER A 218 5.525 5.660 -10.728 1.00 0.00 H new ATOM 451 N ILE A 219 1.632 4.551 -6.972 1.00 0.00 N ATOM 452 CA ILE A 219 0.544 3.665 -6.563 1.00 0.00 C ATOM 453 C ILE A 219 -0.156 4.234 -5.313 1.00 0.00 C ATOM 454 O ILE A 219 -1.377 4.149 -5.205 1.00 0.00 O ATOM 455 CB ILE A 219 1.142 2.263 -6.303 1.00 0.00 C ATOM 456 CG1 ILE A 219 1.839 1.611 -7.521 1.00 0.00 C ATOM 457 CG2 ILE A 219 0.084 1.317 -5.729 1.00 0.00 C ATOM 458 CD1 ILE A 219 0.913 1.238 -8.684 1.00 0.00 C ATOM 0 H ILE A 219 2.224 4.824 -6.187 1.00 0.00 H new ATOM 0 HA ILE A 219 -0.212 3.588 -7.344 1.00 0.00 H new ATOM 0 HB ILE A 219 1.933 2.430 -5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 219 2.602 2.295 -7.891 1.00 0.00 H new ATOM 0 HG13 ILE A 219 2.354 0.711 -7.185 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.528 0.337 -5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 219 -0.291 1.718 -4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.740 1.221 -6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 219 1.499 0.789 -9.486 1.00 0.00 H new ATOM 0 HD12 ILE A 219 0.164 0.525 -8.339 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.417 2.134 -9.056 1.00 0.00 H new ATOM 470 N GLU A 220 0.622 4.864 -4.418 1.00 0.00 N ATOM 471 CA GLU A 220 0.215 5.673 -3.261 1.00 0.00 C ATOM 472 C GLU A 220 -0.367 4.881 -2.075 1.00 0.00 C ATOM 473 O GLU A 220 0.020 5.150 -0.941 1.00 0.00 O ATOM 474 CB GLU A 220 -0.646 6.877 -3.727 1.00 0.00 C ATOM 475 CG GLU A 220 -2.077 6.998 -3.170 1.00 0.00 C ATOM 476 CD GLU A 220 -2.132 7.448 -1.704 1.00 0.00 C ATOM 477 OE1 GLU A 220 -1.502 8.483 -1.393 1.00 0.00 O ATOM 478 OE2 GLU A 220 -2.818 6.762 -0.915 1.00 0.00 O ATOM 0 H GLU A 220 1.638 4.815 -4.493 1.00 0.00 H new ATOM 0 HA GLU A 220 1.127 6.075 -2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 220 -0.109 7.791 -3.472 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.712 6.840 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.636 7.708 -3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.577 6.034 -3.264 1.00 0.00 H new ATOM 485 N TRP A 221 -1.233 3.892 -2.328 1.00 0.00 N ATOM 486 CA TRP A 221 -1.954 3.096 -1.337 1.00 0.00 C ATOM 487 C TRP A 221 -1.757 1.617 -1.669 1.00 0.00 C ATOM 488 O TRP A 221 -1.625 1.225 -2.828 1.00 0.00 O ATOM 489 CB TRP A 221 -3.431 3.502 -1.282 1.00 0.00 C ATOM 490 CG TRP A 221 -4.354 2.506 -1.852 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.739 2.451 -3.134 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.889 1.332 -1.197 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.431 1.277 -3.343 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.542 0.539 -2.179 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.817 0.839 0.120 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -6.113 -0.701 -1.858 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.418 -0.385 0.447 1.00 0.00 C ATOM 498 CH2 TRP A 221 -6.044 -1.163 -0.534 1.00 0.00 C ATOM 0 H TRP A 221 -1.459 3.613 -3.283 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.557 3.280 -0.338 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.707 3.684 -0.243 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.557 4.444 -1.815 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.540 3.204 -3.882 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.813 0.989 -4.244 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.298 1.405 0.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.599 -1.293 -2.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.398 -0.732 1.469 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -6.474 -2.119 -0.272 1.00 0.00 H new ATOM 509 N PHE A 222 -1.773 0.791 -0.624 1.00 0.00 N ATOM 510 CA PHE A 222 -1.559 -0.644 -0.715 1.00 0.00 C ATOM 511 C PHE A 222 -2.359 -1.279 0.398 1.00 0.00 C ATOM 512 O PHE A 222 -2.553 -0.691 1.459 1.00 0.00 O ATOM 513 CB PHE A 222 -0.078 -1.002 -0.517 1.00 0.00 C ATOM 514 CG PHE A 222 0.838 -0.531 -1.623 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.288 0.800 -1.626 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.212 -1.403 -2.663 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.069 1.281 -2.682 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.027 -0.933 -3.706 1.00 0.00 C ATOM 519 CZ PHE A 222 2.448 0.408 -3.713 1.00 0.00 C ATOM 0 H PHE A 222 -1.939 1.113 0.329 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.864 -0.998 -1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.263 -0.574 0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 222 0.011 -2.085 -0.426 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.029 1.456 -0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 222 0.874 -2.429 -2.659 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.378 2.316 -2.704 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.329 -1.600 -4.500 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.069 0.770 -4.519 1.00 0.00 H new ATOM 529 N HIS A 223 -2.818 -2.498 0.146 1.00 0.00 N ATOM 530 CA HIS A 223 -3.558 -3.256 1.131 1.00 0.00 C ATOM 531 C HIS A 223 -2.623 -3.768 2.232 1.00 0.00 C ATOM 532 O HIS A 223 -1.455 -4.074 1.992 1.00 0.00 O ATOM 533 CB HIS A 223 -4.256 -4.373 0.361 1.00 0.00 C ATOM 534 CG HIS A 223 -5.399 -5.074 1.027 1.00 0.00 C ATOM 535 ND1 HIS A 223 -5.784 -6.369 0.695 1.00 0.00 N ATOM 536 CD2 HIS A 223 -6.287 -4.543 1.916 1.00 0.00 C ATOM 537 CE1 HIS A 223 -6.869 -6.612 1.451 1.00 0.00 C ATOM 538 NE2 HIS A 223 -7.197 -5.534 2.186 1.00 0.00 N ATOM 0 H HIS A 223 -2.686 -2.981 -0.742 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.299 -2.651 1.653 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.621 -3.955 -0.577 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.507 -5.122 0.106 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -6.276 -3.544 2.325 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -7.406 -7.549 1.466 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -7.984 -5.465 2.831 1.00 0.00 H new ATOM 546 N PHE A 224 -3.180 -3.900 3.437 1.00 0.00 N ATOM 547 CA PHE A 224 -2.591 -4.590 4.586 1.00 0.00 C ATOM 548 C PHE A 224 -2.331 -6.086 4.304 1.00 0.00 C ATOM 549 O PHE A 224 -1.769 -6.762 5.162 1.00 0.00 O ATOM 550 CB PHE A 224 -3.562 -4.464 5.779 1.00 0.00 C ATOM 551 CG PHE A 224 -3.136 -3.546 6.908 1.00 0.00 C ATOM 552 CD1 PHE A 224 -2.755 -2.217 6.647 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.242 -3.990 8.241 1.00 0.00 C ATOM 554 CE1 PHE A 224 -2.467 -1.343 7.712 1.00 0.00 C ATOM 555 CE2 PHE A 224 -2.981 -3.108 9.303 1.00 0.00 C ATOM 556 CZ PHE A 224 -2.583 -1.787 9.040 1.00 0.00 C ATOM 0 H PHE A 224 -4.098 -3.510 3.648 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.629 -4.126 4.803 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.523 -4.115 5.401 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -3.725 -5.459 6.192 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -2.683 -1.867 5.628 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -3.525 -5.012 8.447 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -2.156 -0.329 7.508 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -3.087 -3.446 10.323 1.00 0.00 H new ATOM 0 HZ PHE A 224 -2.367 -1.114 9.857 1.00 0.00 H new ATOM 566 N ALA A 225 -2.719 -6.600 3.125 1.00 0.00 N ATOM 567 CA ALA A 225 -2.417 -7.937 2.643 1.00 0.00 C ATOM 568 C ALA A 225 -1.696 -7.923 1.283 1.00 0.00 C ATOM 569 O ALA A 225 -1.274 -8.983 0.824 1.00 0.00 O ATOM 570 CB ALA A 225 -3.693 -8.785 2.624 1.00 0.00 C ATOM 0 H ALA A 225 -3.276 -6.062 2.461 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.714 -8.399 3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.459 -9.786 2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.101 -8.850 3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.427 -8.323 1.964 1.00 0.00 H new ATOM 576 N CYS A 226 -1.494 -6.744 0.661 1.00 0.00 N ATOM 577 CA CYS A 226 -0.590 -6.576 -0.477 1.00 0.00 C ATOM 578 C CYS A 226 0.887 -6.677 -0.039 1.00 0.00 C ATOM 579 O CYS A 226 1.777 -6.715 -0.886 1.00 0.00 O ATOM 580 CB CYS A 226 -0.857 -5.240 -1.158 1.00 0.00 C ATOM 581 SG CYS A 226 -2.252 -5.346 -2.313 1.00 0.00 S ATOM 0 H CYS A 226 -1.960 -5.881 0.942 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.779 -7.381 -1.187 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.066 -4.482 -0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.036 -4.919 -1.694 1.00 0.00 H new ATOM 587 N VAL A 227 1.132 -6.740 1.279 1.00 0.00 N ATOM 588 CA VAL A 227 2.430 -6.942 1.921 1.00 0.00 C ATOM 589 C VAL A 227 2.346 -7.985 3.057 1.00 0.00 C ATOM 590 O VAL A 227 3.364 -8.363 3.635 1.00 0.00 O ATOM 591 CB VAL A 227 2.963 -5.568 2.376 1.00 0.00 C ATOM 592 CG1 VAL A 227 2.003 -4.895 3.371 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.390 -5.627 2.950 1.00 0.00 C ATOM 0 H VAL A 227 0.380 -6.645 1.962 1.00 0.00 H new ATOM 0 HA VAL A 227 3.143 -7.365 1.214 1.00 0.00 H new ATOM 0 HB VAL A 227 3.016 -4.957 1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.409 -3.929 3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 227 1.032 -4.749 2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 227 1.887 -5.529 4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.703 -4.627 3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.407 -6.288 3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.072 -6.008 2.190 1.00 0.00 H new ATOM 603 N GLY A 228 1.134 -8.471 3.357 1.00 0.00 N ATOM 604 CA GLY A 228 0.857 -9.423 4.431 1.00 0.00 C ATOM 605 C GLY A 228 1.063 -8.833 5.832 1.00 0.00 C ATOM 606 O GLY A 228 1.469 -9.565 6.733 1.00 0.00 O ATOM 0 H GLY A 228 0.297 -8.202 2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -0.171 -9.774 4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.503 -10.293 4.312 1.00 0.00 H new ATOM 610 N LEU A 229 0.831 -7.522 6.006 1.00 0.00 N ATOM 611 CA LEU A 229 1.097 -6.795 7.246 1.00 0.00 C ATOM 612 C LEU A 229 0.263 -7.311 8.420 1.00 0.00 C ATOM 613 O LEU A 229 0.830 -7.628 9.464 1.00 0.00 O ATOM 614 CB LEU A 229 0.825 -5.288 7.042 1.00 0.00 C ATOM 615 CG LEU A 229 2.109 -4.456 6.877 1.00 0.00 C ATOM 616 CD1 LEU A 229 1.708 -3.029 6.492 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.982 -4.407 8.140 1.00 0.00 C ATOM 0 H LEU A 229 0.445 -6.931 5.270 1.00 0.00 H new ATOM 0 HA LEU A 229 2.146 -6.959 7.493 1.00 0.00 H new ATOM 0 HB2 LEU A 229 0.198 -5.155 6.160 1.00 0.00 H new ATOM 0 HB3 LEU A 229 0.261 -4.909 7.894 1.00 0.00 H new ATOM 0 HG LEU A 229 2.710 -4.937 6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 229 2.604 -2.420 6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 229 1.151 -3.048 5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 229 1.084 -2.602 7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.868 -3.803 7.946 1.00 0.00 H new ATOM 0 HD22 LEU A 229 2.413 -3.965 8.958 1.00 0.00 H new ATOM 0 HD23 LEU A 229 3.285 -5.418 8.413 1.00 0.00 H new ATOM 629 N THR A 230 -1.067 -7.384 8.240 1.00 0.00 N ATOM 630 CA THR A 230 -2.075 -7.726 9.257 1.00 0.00 C ATOM 631 C THR A 230 -2.172 -6.716 10.427 1.00 0.00 C ATOM 632 O THR A 230 -3.191 -6.691 11.116 1.00 0.00 O ATOM 633 CB THR A 230 -1.879 -9.185 9.739 1.00 0.00 C ATOM 634 OG1 THR A 230 -1.677 -10.049 8.637 1.00 0.00 O ATOM 635 CG2 THR A 230 -3.070 -9.734 10.533 1.00 0.00 C ATOM 0 H THR A 230 -1.490 -7.196 7.331 1.00 0.00 H new ATOM 0 HA THR A 230 -3.047 -7.651 8.769 1.00 0.00 H new ATOM 0 HB THR A 230 -1.008 -9.154 10.394 1.00 0.00 H new ATOM 0 HG1 THR A 230 -1.553 -10.966 8.959 1.00 0.00 H new ATOM 0 HG21 THR A 230 -2.862 -10.760 10.838 1.00 0.00 H new ATOM 0 HG22 THR A 230 -3.232 -9.118 11.418 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.963 -9.715 9.909 1.00 0.00 H new ATOM 643 N THR A 231 -1.162 -5.856 10.633 1.00 0.00 N ATOM 644 CA THR A 231 -1.051 -4.897 11.736 1.00 0.00 C ATOM 645 C THR A 231 -0.397 -3.596 11.248 1.00 0.00 C ATOM 646 O THR A 231 0.212 -3.559 10.179 1.00 0.00 O ATOM 647 CB THR A 231 -0.220 -5.490 12.895 1.00 0.00 C ATOM 648 OG1 THR A 231 1.089 -5.804 12.462 1.00 0.00 O ATOM 649 CG2 THR A 231 -0.851 -6.742 13.517 1.00 0.00 C ATOM 0 H THR A 231 -0.362 -5.811 10.001 1.00 0.00 H new ATOM 0 HA THR A 231 -2.056 -4.681 12.098 1.00 0.00 H new ATOM 0 HB THR A 231 -0.192 -4.718 13.664 1.00 0.00 H new ATOM 0 HG1 THR A 231 1.600 -6.177 13.210 1.00 0.00 H new ATOM 0 HG21 THR A 231 -0.216 -7.107 14.324 1.00 0.00 H new ATOM 0 HG22 THR A 231 -1.836 -6.495 13.913 1.00 0.00 H new ATOM 0 HG23 THR A 231 -0.950 -7.516 12.756 1.00 0.00 H new ATOM 657 N LYS A 232 -0.513 -2.524 12.048 1.00 0.00 N ATOM 658 CA LYS A 232 0.166 -1.254 11.796 1.00 0.00 C ATOM 659 C LYS A 232 1.679 -1.437 12.033 1.00 0.00 C ATOM 660 O LYS A 232 2.055 -1.828 13.139 1.00 0.00 O ATOM 661 CB LYS A 232 -0.414 -0.173 12.723 1.00 0.00 C ATOM 662 CG LYS A 232 0.146 1.224 12.404 1.00 0.00 C ATOM 663 CD LYS A 232 -0.229 2.310 13.427 1.00 0.00 C ATOM 664 CE LYS A 232 -1.733 2.597 13.540 1.00 0.00 C ATOM 665 NZ LYS A 232 -2.427 1.650 14.436 1.00 0.00 N ATOM 0 H LYS A 232 -1.086 -2.520 12.892 1.00 0.00 H new ATOM 0 HA LYS A 232 0.011 -0.938 10.764 1.00 0.00 H new ATOM 0 HB2 LYS A 232 -1.500 -0.158 12.627 1.00 0.00 H new ATOM 0 HB3 LYS A 232 -0.189 -0.426 13.759 1.00 0.00 H new ATOM 0 HG2 LYS A 232 1.232 1.161 12.342 1.00 0.00 H new ATOM 0 HG3 LYS A 232 -0.212 1.529 11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 232 0.144 2.011 14.407 1.00 0.00 H new ATOM 0 HD3 LYS A 232 0.284 3.234 13.159 1.00 0.00 H new ATOM 0 HE2 LYS A 232 -1.878 3.613 13.908 1.00 0.00 H new ATOM 0 HE3 LYS A 232 -2.183 2.550 12.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 -3.184 1.167 13.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 -1.748 0.946 14.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 -2.838 2.169 15.238 1.00 0.00 H new ATOM 679 N PRO A 233 2.552 -1.152 11.045 1.00 0.00 N ATOM 680 CA PRO A 233 3.996 -1.297 11.206 1.00 0.00 C ATOM 681 C PRO A 233 4.587 -0.160 12.049 1.00 0.00 C ATOM 682 O PRO A 233 5.251 -0.421 13.051 1.00 0.00 O ATOM 683 CB PRO A 233 4.562 -1.292 9.781 1.00 0.00 C ATOM 684 CG PRO A 233 3.541 -0.496 8.967 1.00 0.00 C ATOM 685 CD PRO A 233 2.217 -0.744 9.687 1.00 0.00 C ATOM 0 HA PRO A 233 4.251 -2.213 11.738 1.00 0.00 H new ATOM 0 HB2 PRO A 233 5.547 -0.826 9.747 1.00 0.00 H new ATOM 0 HB3 PRO A 233 4.675 -2.305 9.395 1.00 0.00 H new ATOM 0 HG2 PRO A 233 3.790 0.565 8.944 1.00 0.00 H new ATOM 0 HG3 PRO A 233 3.502 -0.837 7.933 1.00 0.00 H new ATOM 0 HD2 PRO A 233 1.605 0.158 9.693 1.00 0.00 H new ATOM 0 HD3 PRO A 233 1.640 -1.518 9.181 1.00 0.00 H new ATOM 693 N ARG A 234 4.339 1.091 11.634 1.00 0.00 N ATOM 694 CA ARG A 234 4.852 2.324 12.226 1.00 0.00 C ATOM 695 C ARG A 234 4.226 3.533 11.511 1.00 0.00 C ATOM 696 O ARG A 234 3.419 3.374 10.593 1.00 0.00 O ATOM 697 CB ARG A 234 6.399 2.362 12.122 1.00 0.00 C ATOM 698 CG ARG A 234 7.023 2.635 13.498 1.00 0.00 C ATOM 699 CD ARG A 234 8.548 2.781 13.425 1.00 0.00 C ATOM 700 NE ARG A 234 8.953 4.031 12.758 1.00 0.00 N ATOM 701 CZ ARG A 234 9.030 5.241 13.335 1.00 0.00 C ATOM 702 NH1 ARG A 234 8.742 5.427 14.626 1.00 0.00 N ATOM 703 NH2 ARG A 234 9.401 6.291 12.603 1.00 0.00 N ATOM 0 H ARG A 234 3.740 1.274 10.829 1.00 0.00 H new ATOM 0 HA ARG A 234 4.583 2.362 13.282 1.00 0.00 H new ATOM 0 HB2 ARG A 234 6.767 1.413 11.731 1.00 0.00 H new ATOM 0 HB3 ARG A 234 6.703 3.136 11.418 1.00 0.00 H new ATOM 0 HG2 ARG A 234 6.592 3.545 13.916 1.00 0.00 H new ATOM 0 HG3 ARG A 234 6.770 1.821 14.178 1.00 0.00 H new ATOM 0 HD2 ARG A 234 8.963 2.757 14.433 1.00 0.00 H new ATOM 0 HD3 ARG A 234 8.968 1.931 12.887 1.00 0.00 H new ATOM 0 HE ARG A 234 9.197 3.972 11.769 1.00 0.00 H new ATOM 0 HH11 ARG A 234 8.454 4.637 15.203 1.00 0.00 H new ATOM 0 HH12 ARG A 234 8.810 6.359 15.035 1.00 0.00 H new ATOM 0 HH21 ARG A 234 9.623 6.171 11.615 1.00 0.00 H new ATOM 0 HH22 ARG A 234 9.463 7.215 13.031 1.00 0.00 H new ATOM 717 N GLY A 235 4.653 4.745 11.896 1.00 0.00 N ATOM 718 CA GLY A 235 4.342 5.990 11.195 1.00 0.00 C ATOM 719 C GLY A 235 5.192 6.216 9.932 1.00 0.00 C ATOM 720 O GLY A 235 5.282 7.353 9.474 1.00 0.00 O ATOM 0 H GLY A 235 5.236 4.885 12.721 1.00 0.00 H new ATOM 0 HA2 GLY A 235 3.288 5.987 10.917 1.00 0.00 H new ATOM 0 HA3 GLY A 235 4.490 6.828 11.877 1.00 0.00 H new ATOM 724 N LYS A 236 5.833 5.164 9.393 1.00 0.00 N ATOM 725 CA LYS A 236 6.624 5.194 8.171 1.00 0.00 C ATOM 726 C LYS A 236 6.733 3.760 7.640 1.00 0.00 C ATOM 727 O LYS A 236 7.253 2.874 8.320 1.00 0.00 O ATOM 728 CB LYS A 236 8.023 5.780 8.454 1.00 0.00 C ATOM 729 CG LYS A 236 8.756 6.248 7.184 1.00 0.00 C ATOM 730 CD LYS A 236 8.219 7.599 6.680 1.00 0.00 C ATOM 731 CE LYS A 236 9.041 8.158 5.513 1.00 0.00 C ATOM 732 NZ LYS A 236 8.841 7.400 4.264 1.00 0.00 N ATOM 0 H LYS A 236 5.807 4.238 9.821 1.00 0.00 H new ATOM 0 HA LYS A 236 6.145 5.829 7.426 1.00 0.00 H new ATOM 0 HB2 LYS A 236 7.925 6.622 9.139 1.00 0.00 H new ATOM 0 HB3 LYS A 236 8.629 5.027 8.958 1.00 0.00 H new ATOM 0 HG2 LYS A 236 9.823 6.335 7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 236 8.643 5.497 6.402 1.00 0.00 H new ATOM 0 HD2 LYS A 236 7.182 7.480 6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 236 8.223 8.317 7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 236 8.769 9.201 5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 236 10.098 8.142 5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 9.748 7.313 3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 8.477 6.452 4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 8.157 7.900 3.660 1.00 0.00 H new ATOM 746 N TRP A 237 6.246 3.557 6.414 1.00 0.00 N ATOM 747 CA TRP A 237 6.240 2.294 5.684 1.00 0.00 C ATOM 748 C TRP A 237 6.598 2.517 4.205 1.00 0.00 C ATOM 749 O TRP A 237 6.533 3.637 3.694 1.00 0.00 O ATOM 750 CB TRP A 237 4.856 1.661 5.842 1.00 0.00 C ATOM 751 CG TRP A 237 4.640 0.337 5.164 1.00 0.00 C ATOM 752 CD1 TRP A 237 5.055 -0.871 5.604 1.00 0.00 C ATOM 753 CD2 TRP A 237 4.005 0.080 3.874 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.710 -1.849 4.693 1.00 0.00 N ATOM 755 CE2 TRP A 237 4.060 -1.317 3.599 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.434 0.903 2.885 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.548 -1.862 2.410 1.00 0.00 C ATOM 758 CZ3 TRP A 237 2.935 0.370 1.682 1.00 0.00 C ATOM 759 CH2 TRP A 237 2.962 -1.015 1.460 1.00 0.00 C ATOM 0 H TRP A 237 5.822 4.314 5.877 1.00 0.00 H new ATOM 0 HA TRP A 237 6.994 1.619 6.089 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.659 1.535 6.907 1.00 0.00 H new ATOM 0 HB3 TRP A 237 4.115 2.364 5.461 1.00 0.00 H new ATOM 0 HD1 TRP A 237 5.579 -1.046 6.532 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.911 -2.842 4.814 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.378 1.968 3.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.606 -2.925 2.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.530 1.029 0.928 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.532 -1.427 0.559 1.00 0.00 H new ATOM 770 N PHE A 238 6.956 1.426 3.514 1.00 0.00 N ATOM 771 CA PHE A 238 7.289 1.405 2.094 1.00 0.00 C ATOM 772 C PHE A 238 6.733 0.125 1.463 1.00 0.00 C ATOM 773 O PHE A 238 6.819 -0.946 2.067 1.00 0.00 O ATOM 774 CB PHE A 238 8.814 1.440 1.910 1.00 0.00 C ATOM 775 CG PHE A 238 9.509 2.655 2.500 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.627 3.841 1.752 1.00 0.00 C ATOM 777 CD2 PHE A 238 10.046 2.596 3.802 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.290 4.956 2.296 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.702 3.713 4.348 1.00 0.00 C ATOM 780 CZ PHE A 238 10.835 4.889 3.591 1.00 0.00 C ATOM 0 H PHE A 238 7.022 0.506 3.949 1.00 0.00 H new ATOM 0 HA PHE A 238 6.850 2.278 1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.239 0.543 2.361 1.00 0.00 H new ATOM 0 HB3 PHE A 238 9.036 1.396 0.844 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.208 3.895 0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 238 9.953 1.690 4.382 1.00 0.00 H new ATOM 0 HE1 PHE A 238 10.381 5.864 1.719 1.00 0.00 H new ATOM 0 HE2 PHE A 238 11.104 3.667 5.349 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.355 5.741 4.003 1.00 0.00 H new ATOM 790 N CYS A 239 6.199 0.225 0.236 1.00 0.00 N ATOM 791 CA CYS A 239 5.688 -0.915 -0.513 1.00 0.00 C ATOM 792 C CYS A 239 6.803 -1.893 -0.914 1.00 0.00 C ATOM 793 O CYS A 239 7.974 -1.516 -0.851 1.00 0.00 O ATOM 794 CB CYS A 239 4.873 -0.365 -1.687 1.00 0.00 C ATOM 795 SG CYS A 239 5.894 0.320 -3.013 1.00 0.00 S ATOM 0 H CYS A 239 6.113 1.111 -0.262 1.00 0.00 H new ATOM 0 HA CYS A 239 5.031 -1.525 0.107 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.251 -1.163 -2.093 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.199 0.409 -1.321 1.00 0.00 H new ATOM 801 N PRO A 240 6.475 -3.131 -1.343 1.00 0.00 N ATOM 802 CA PRO A 240 7.453 -4.135 -1.772 1.00 0.00 C ATOM 803 C PRO A 240 8.082 -3.819 -3.149 1.00 0.00 C ATOM 804 O PRO A 240 8.380 -4.732 -3.919 1.00 0.00 O ATOM 805 CB PRO A 240 6.699 -5.473 -1.712 1.00 0.00 C ATOM 806 CG PRO A 240 5.259 -5.077 -2.014 1.00 0.00 C ATOM 807 CD PRO A 240 5.140 -3.723 -1.321 1.00 0.00 C ATOM 0 HA PRO A 240 8.327 -4.157 -1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 240 7.083 -6.184 -2.444 1.00 0.00 H new ATOM 0 HB3 PRO A 240 6.790 -5.943 -0.733 1.00 0.00 H new ATOM 0 HG2 PRO A 240 5.074 -5.003 -3.086 1.00 0.00 H new ATOM 0 HG3 PRO A 240 4.547 -5.801 -1.617 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.423 -3.084 -1.837 1.00 0.00 H new ATOM 0 HD3 PRO A 240 4.784 -3.840 -0.298 1.00 0.00 H new ATOM 815 N ARG A 241 8.298 -2.528 -3.452 1.00 0.00 N ATOM 816 CA ARG A 241 9.067 -2.043 -4.597 1.00 0.00 C ATOM 817 C ARG A 241 9.954 -0.869 -4.166 1.00 0.00 C ATOM 818 O ARG A 241 11.108 -0.785 -4.578 1.00 0.00 O ATOM 819 CB ARG A 241 8.136 -1.605 -5.743 1.00 0.00 C ATOM 820 CG ARG A 241 7.267 -2.739 -6.307 1.00 0.00 C ATOM 821 CD ARG A 241 6.410 -2.223 -7.467 1.00 0.00 C ATOM 822 NE ARG A 241 5.540 -3.282 -8.000 1.00 0.00 N ATOM 823 CZ ARG A 241 4.558 -3.106 -8.896 1.00 0.00 C ATOM 824 NH1 ARG A 241 4.275 -1.904 -9.403 1.00 0.00 N ATOM 825 NH2 ARG A 241 3.841 -4.157 -9.295 1.00 0.00 N ATOM 0 H ARG A 241 7.925 -1.770 -2.881 1.00 0.00 H new ATOM 0 HA ARG A 241 9.693 -2.858 -4.960 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.486 -0.806 -5.385 1.00 0.00 H new ATOM 0 HB3 ARG A 241 8.740 -1.188 -6.549 1.00 0.00 H new ATOM 0 HG2 ARG A 241 7.901 -3.557 -6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 241 6.626 -3.140 -5.522 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.801 -1.385 -7.127 1.00 0.00 H new ATOM 0 HD3 ARG A 241 7.056 -1.846 -8.260 1.00 0.00 H new ATOM 0 HE ARG A 241 5.697 -4.231 -7.659 1.00 0.00 H new ATOM 0 HH11 ARG A 241 4.812 -1.088 -9.110 1.00 0.00 H new ATOM 0 HH12 ARG A 241 3.522 -1.802 -10.083 1.00 0.00 H new ATOM 0 HH21 ARG A 241 4.042 -5.084 -8.919 1.00 0.00 H new ATOM 0 HH22 ARG A 241 3.092 -4.034 -9.976 1.00 0.00 H new ATOM 839 N CYS A 242 9.427 -0.006 -3.288 1.00 0.00 N ATOM 840 CA CYS A 242 10.115 1.068 -2.614 1.00 0.00 C ATOM 841 C CYS A 242 11.100 0.541 -1.557 1.00 0.00 C ATOM 842 O CYS A 242 12.174 1.115 -1.382 1.00 0.00 O ATOM 843 CB CYS A 242 8.993 1.871 -1.964 1.00 0.00 C ATOM 844 SG CYS A 242 8.164 2.950 -3.169 1.00 0.00 S ATOM 0 H CYS A 242 8.443 -0.055 -3.022 1.00 0.00 H new ATOM 0 HA CYS A 242 10.721 1.662 -3.298 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.265 1.190 -1.522 1.00 0.00 H new ATOM 0 HB3 CYS A 242 9.399 2.474 -1.152 1.00 0.00 H new ATOM 0 HG CYS A 242 7.051 2.398 -3.552 1.00 0.00 H new ATOM 850 N SER A 243 10.743 -0.559 -0.877 1.00 0.00 N ATOM 851 CA SER A 243 11.565 -1.233 0.123 1.00 0.00 C ATOM 852 C SER A 243 12.673 -2.084 -0.518 1.00 0.00 C ATOM 853 O SER A 243 13.726 -2.272 0.093 1.00 0.00 O ATOM 854 CB SER A 243 10.645 -2.112 0.979 1.00 0.00 C ATOM 855 OG SER A 243 11.349 -2.665 2.069 1.00 0.00 O ATOM 0 H SER A 243 9.841 -1.015 -1.018 1.00 0.00 H new ATOM 0 HA SER A 243 12.064 -0.483 0.737 1.00 0.00 H new ATOM 0 HB2 SER A 243 9.807 -1.519 1.345 1.00 0.00 H new ATOM 0 HB3 SER A 243 10.227 -2.912 0.367 1.00 0.00 H new ATOM 0 HG SER A 243 10.743 -3.221 2.602 1.00 0.00 H new ATOM 861 N GLN A 244 12.455 -2.573 -1.750 1.00 0.00 N ATOM 862 CA GLN A 244 13.426 -3.369 -2.497 1.00 0.00 C ATOM 863 C GLN A 244 14.675 -2.561 -2.881 1.00 0.00 C ATOM 864 O GLN A 244 15.742 -3.147 -3.056 1.00 0.00 O ATOM 865 CB GLN A 244 12.776 -3.972 -3.753 1.00 0.00 C ATOM 866 CG GLN A 244 11.625 -4.945 -3.444 1.00 0.00 C ATOM 867 CD GLN A 244 12.037 -6.194 -2.657 1.00 0.00 C ATOM 868 OE1 GLN A 244 13.192 -6.610 -2.656 1.00 0.00 O ATOM 869 NE2 GLN A 244 11.076 -6.810 -1.970 1.00 0.00 N ATOM 0 H GLN A 244 11.583 -2.420 -2.257 1.00 0.00 H new ATOM 0 HA GLN A 244 13.752 -4.174 -1.838 1.00 0.00 H new ATOM 0 HB2 GLN A 244 12.399 -3.164 -4.380 1.00 0.00 H new ATOM 0 HB3 GLN A 244 13.538 -4.495 -4.331 1.00 0.00 H new ATOM 0 HG2 GLN A 244 10.859 -4.413 -2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 244 11.170 -5.258 -4.384 1.00 0.00 H new ATOM 0 HE21 GLN A 244 10.124 -6.445 -1.986 1.00 0.00 H new ATOM 0 HE22 GLN A 244 11.293 -7.646 -1.428 1.00 0.00 H new ATOM 878 N GLU A 245 14.553 -1.228 -2.979 1.00 0.00 N ATOM 879 CA GLU A 245 15.646 -0.313 -3.263 1.00 0.00 C ATOM 880 C GLU A 245 16.672 -0.221 -2.115 1.00 0.00 C ATOM 881 O GLU A 245 17.805 0.193 -2.357 1.00 0.00 O ATOM 882 CB GLU A 245 15.065 1.071 -3.628 1.00 0.00 C ATOM 883 CG GLU A 245 15.551 1.580 -4.993 1.00 0.00 C ATOM 884 CD GLU A 245 17.062 1.815 -5.036 1.00 0.00 C ATOM 885 OE1 GLU A 245 17.492 2.865 -4.509 1.00 0.00 O ATOM 886 OE2 GLU A 245 17.764 0.944 -5.594 1.00 0.00 O ATOM 0 H GLU A 245 13.659 -0.752 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 245 16.205 -0.707 -4.112 1.00 0.00 H new ATOM 0 HB2 GLU A 245 13.977 1.013 -3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 245 15.342 1.791 -2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 245 15.278 0.858 -5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 245 15.036 2.511 -5.233 1.00 0.00 H new ATOM 893 N ARG A 246 16.296 -0.621 -0.885 1.00 0.00 N ATOM 894 CA ARG A 246 17.159 -0.650 0.299 1.00 0.00 C ATOM 895 C ARG A 246 16.862 -1.911 1.124 1.00 0.00 C ATOM 896 O ARG A 246 16.269 -1.848 2.202 1.00 0.00 O ATOM 897 CB ARG A 246 17.049 0.643 1.140 1.00 0.00 C ATOM 898 CG ARG A 246 17.761 1.854 0.513 1.00 0.00 C ATOM 899 CD ARG A 246 16.851 2.704 -0.385 1.00 0.00 C ATOM 900 NE ARG A 246 17.572 3.245 -1.549 1.00 0.00 N ATOM 901 CZ ARG A 246 18.524 4.189 -1.547 1.00 0.00 C ATOM 902 NH1 ARG A 246 18.917 4.800 -0.427 1.00 0.00 N ATOM 903 NH2 ARG A 246 19.096 4.520 -2.703 1.00 0.00 N ATOM 0 H ARG A 246 15.349 -0.943 -0.688 1.00 0.00 H new ATOM 0 HA ARG A 246 18.196 -0.692 -0.033 1.00 0.00 H new ATOM 0 HB2 ARG A 246 15.996 0.885 1.281 1.00 0.00 H new ATOM 0 HB3 ARG A 246 17.468 0.459 2.129 1.00 0.00 H new ATOM 0 HG2 ARG A 246 18.161 2.482 1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 246 18.610 1.502 -0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 246 16.012 2.098 -0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 246 16.434 3.526 0.197 1.00 0.00 H new ATOM 0 HE ARG A 246 17.319 2.859 -2.458 1.00 0.00 H new ATOM 0 HH11 ARG A 246 18.490 4.553 0.466 1.00 0.00 H new ATOM 0 HH12 ARG A 246 19.645 5.514 -0.464 1.00 0.00 H new ATOM 0 HH21 ARG A 246 18.808 4.058 -3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 246 19.823 5.235 -2.726 1.00 0.00 H new ATOM 917 N LYS A 247 17.293 -3.064 0.594 1.00 0.00 N ATOM 918 CA LYS A 247 17.301 -4.352 1.284 1.00 0.00 C ATOM 919 C LYS A 247 18.559 -4.432 2.156 1.00 0.00 C ATOM 920 O LYS A 247 19.624 -4.848 1.702 1.00 0.00 O ATOM 921 CB LYS A 247 17.228 -5.506 0.266 1.00 0.00 C ATOM 922 CG LYS A 247 15.874 -5.583 -0.463 1.00 0.00 C ATOM 923 CD LYS A 247 14.676 -6.051 0.387 1.00 0.00 C ATOM 924 CE LYS A 247 14.489 -7.573 0.397 1.00 0.00 C ATOM 925 NZ LYS A 247 15.534 -8.276 1.163 1.00 0.00 N ATOM 0 H LYS A 247 17.656 -3.123 -0.357 1.00 0.00 H new ATOM 0 HA LYS A 247 16.426 -4.443 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 247 18.023 -5.385 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 247 17.411 -6.449 0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 247 15.645 -4.597 -0.867 1.00 0.00 H new ATOM 0 HG3 LYS A 247 15.978 -6.259 -1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 247 14.810 -5.703 1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 247 13.767 -5.584 0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 247 13.513 -7.811 0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 247 14.489 -7.940 -0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 15.195 -9.224 1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 16.391 -8.364 0.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 15.754 -7.737 2.025 1.00 0.00 H new ATOM 939 N LYS A 248 18.406 -4.003 3.415 1.00 0.00 N ATOM 940 CA LYS A 248 19.467 -3.880 4.422 1.00 0.00 C ATOM 941 C LYS A 248 19.039 -4.447 5.791 1.00 0.00 C ATOM 942 O LYS A 248 19.523 -3.987 6.824 1.00 0.00 O ATOM 943 CB LYS A 248 19.963 -2.416 4.478 1.00 0.00 C ATOM 944 CG LYS A 248 18.888 -1.309 4.529 1.00 0.00 C ATOM 945 CD LYS A 248 17.802 -1.477 5.606 1.00 0.00 C ATOM 946 CE LYS A 248 16.752 -0.364 5.538 1.00 0.00 C ATOM 947 NZ LYS A 248 17.301 0.946 5.937 1.00 0.00 N ATOM 0 H LYS A 248 17.495 -3.719 3.776 1.00 0.00 H new ATOM 0 HA LYS A 248 20.315 -4.498 4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 248 20.601 -2.309 5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 248 20.590 -2.238 3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 248 19.386 -0.353 4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 248 18.402 -1.256 3.555 1.00 0.00 H new ATOM 0 HD2 LYS A 248 17.314 -2.444 5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 248 18.266 -1.478 6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 248 16.360 -0.298 4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 248 15.914 -0.618 6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 16.537 1.651 5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 17.728 0.870 6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 18.026 1.241 5.253 1.00 0.00 H new ATOM 961 N LYS A 249 18.112 -5.419 5.751 1.00 0.00 N ATOM 962 CA LYS A 249 17.416 -6.128 6.831 1.00 0.00 C ATOM 963 C LYS A 249 16.040 -5.492 7.057 1.00 0.00 C ATOM 964 O LYS A 249 15.054 -6.255 6.969 1.00 0.00 O ATOM 965 CB LYS A 249 18.234 -6.234 8.131 1.00 0.00 C ATOM 966 CG LYS A 249 17.643 -7.196 9.180 1.00 0.00 C ATOM 967 CD LYS A 249 17.540 -8.669 8.751 1.00 0.00 C ATOM 968 CE LYS A 249 18.906 -9.254 8.377 1.00 0.00 C ATOM 969 NZ LYS A 249 18.808 -10.687 8.040 1.00 0.00 N ATOM 970 OXT LYS A 249 15.996 -4.265 7.296 1.00 0.00 O ATOM 0 H LYS A 249 17.796 -5.767 4.846 1.00 0.00 H new ATOM 0 HA LYS A 249 17.282 -7.162 6.512 1.00 0.00 H new ATOM 0 HB2 LYS A 249 19.244 -6.561 7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 249 18.320 -5.242 8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 249 18.254 -7.141 10.081 1.00 0.00 H new ATOM 0 HG3 LYS A 249 16.647 -6.844 9.448 1.00 0.00 H new ATOM 0 HD2 LYS A 249 17.105 -9.253 9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 249 16.864 -8.752 7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 249 19.317 -8.707 7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 249 19.599 -9.121 9.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 249 19.750 -11.051 7.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 249 18.439 -11.212 8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 249 18.165 -10.810 7.232 1.00 0.00 H new TER 984 LYS A 249 HETATM 985 ZN ZN A 301 -4.727 -4.793 -2.318 1.00 0.00 ZN HETATM 986 ZN ZN A 302 4.779 2.438 -2.955 1.00 0.00 ZN