USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 347 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 220 THR OG1 : rot -87:sc= -1.93 USER MOD Set 1.2: A 222 HIS : no HD1:sc= -4.26 K(o=-6.2,f=-6.9!) USER MOD Single : A 199 SER OG : rot 25:sc= 0.00122 USER MOD Single : A 206 ASN : amide:sc= -7.44! C(o=-7.4!,f=-15!) USER MOD Single : A 210 THR OG1 : rot 180:sc= -0.0501 USER MOD Single : A 212 THR OG1 : rot 110:sc= -0.187! USER MOD Single : A 223 TYR OH : rot 180:sc= -1.6! USER MOD Single : A 226 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.62!) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 232 HIS :FLIP no HE2:sc= -1.56 F(o=-3!,f=-1.6) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 237 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 238 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 198 2.856 -11.871 -5.531 1.00 1.00 N ATOM 2 CA GLY A 198 3.232 -13.313 -5.480 1.00 1.00 C ATOM 3 C GLY A 198 2.200 -14.138 -6.249 1.00 1.00 C ATOM 4 O GLY A 198 2.227 -14.208 -7.462 1.00 1.00 O ATOM 0 HA2 GLY A 198 4.223 -13.457 -5.912 1.00 1.00 H new ATOM 0 HA3 GLY A 198 3.284 -13.650 -4.445 1.00 1.00 H new ATOM 10 N SER A 199 1.289 -14.764 -5.556 1.00 1.00 N ATOM 11 CA SER A 199 0.258 -15.586 -6.252 1.00 1.00 C ATOM 12 C SER A 199 -1.117 -15.371 -5.614 1.00 1.00 C ATOM 13 O SER A 199 -1.892 -14.545 -6.051 1.00 1.00 O ATOM 14 CB SER A 199 0.715 -17.032 -6.069 1.00 1.00 C ATOM 15 OG SER A 199 1.577 -17.391 -7.143 1.00 1.00 O ATOM 0 H SER A 199 1.214 -14.742 -4.539 1.00 1.00 H new ATOM 0 HA SER A 199 0.161 -15.319 -7.304 1.00 1.00 H new ATOM 0 HB2 SER A 199 1.234 -17.144 -5.117 1.00 1.00 H new ATOM 0 HB3 SER A 199 -0.148 -17.698 -6.041 1.00 1.00 H new ATOM 0 HG SER A 199 1.999 -16.585 -7.507 1.00 1.00 H new ATOM 21 N GLU A 200 -1.427 -16.114 -4.587 1.00 1.00 N ATOM 22 CA GLU A 200 -2.753 -15.957 -3.925 1.00 1.00 C ATOM 23 C GLU A 200 -2.888 -14.558 -3.327 1.00 1.00 C ATOM 24 O GLU A 200 -3.736 -13.781 -3.722 1.00 1.00 O ATOM 25 CB GLU A 200 -2.772 -17.016 -2.822 1.00 1.00 C ATOM 26 CG GLU A 200 -4.216 -17.439 -2.549 1.00 1.00 C ATOM 27 CD GLU A 200 -4.503 -17.348 -1.049 1.00 1.00 C ATOM 28 OE1 GLU A 200 -3.873 -18.078 -0.300 1.00 1.00 O ATOM 29 OE2 GLU A 200 -5.345 -16.550 -0.674 1.00 1.00 O ATOM 0 H GLU A 200 -0.819 -16.823 -4.178 1.00 1.00 H new ATOM 0 HA GLU A 200 -3.579 -16.081 -4.625 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -2.179 -17.880 -3.122 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -2.320 -16.619 -1.913 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -4.904 -16.798 -3.101 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -4.379 -18.458 -2.900 1.00 1.00 H new ATOM 36 N ALA A 201 -2.065 -14.234 -2.375 1.00 1.00 N ATOM 37 CA ALA A 201 -2.143 -12.886 -1.741 1.00 1.00 C ATOM 38 C ALA A 201 -1.719 -11.804 -2.738 1.00 1.00 C ATOM 39 O ALA A 201 -1.033 -12.069 -3.704 1.00 1.00 O ATOM 40 CB ALA A 201 -1.169 -12.943 -0.565 1.00 1.00 C ATOM 0 H ALA A 201 -1.337 -14.845 -2.004 1.00 1.00 H new ATOM 0 HA ALA A 201 -3.155 -12.641 -1.420 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -1.169 -11.985 -0.046 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.477 -13.729 0.124 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -0.166 -13.156 -0.934 1.00 1.00 H new ATOM 46 N ARG A 202 -2.123 -10.585 -2.505 1.00 1.00 N ATOM 47 CA ARG A 202 -1.744 -9.479 -3.433 1.00 1.00 C ATOM 48 C ARG A 202 -0.312 -9.021 -3.146 1.00 1.00 C ATOM 49 O ARG A 202 0.369 -9.571 -2.305 1.00 1.00 O ATOM 50 CB ARG A 202 -2.736 -8.355 -3.131 1.00 1.00 C ATOM 51 CG ARG A 202 -3.853 -8.365 -4.177 1.00 1.00 C ATOM 52 CD ARG A 202 -3.250 -8.184 -5.571 1.00 1.00 C ATOM 53 NE ARG A 202 -3.376 -9.518 -6.221 1.00 1.00 N ATOM 54 CZ ARG A 202 -2.833 -9.730 -7.388 1.00 1.00 C ATOM 55 NH1 ARG A 202 -3.515 -9.500 -8.478 1.00 1.00 N ATOM 56 NH2 ARG A 202 -1.608 -10.173 -7.468 1.00 1.00 N ATOM 0 H ARG A 202 -2.700 -10.306 -1.711 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.778 -9.784 -4.479 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.156 -8.485 -2.134 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.225 -7.392 -3.139 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.404 -9.304 -4.127 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -4.565 -7.566 -3.971 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -3.782 -7.418 -6.135 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -2.208 -7.870 -5.513 1.00 1.00 H new ATOM 0 HE ARG A 202 -3.887 -10.266 -5.753 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -4.473 -9.154 -8.417 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -3.090 -9.666 -9.390 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -1.074 -10.354 -6.618 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -1.184 -10.339 -8.381 1.00 1.00 H new ATOM 70 N GLU A 203 0.148 -8.012 -3.835 1.00 1.00 N ATOM 71 CA GLU A 203 1.534 -7.517 -3.596 1.00 1.00 C ATOM 72 C GLU A 203 1.517 -6.002 -3.381 1.00 1.00 C ATOM 73 O GLU A 203 1.222 -5.239 -4.281 1.00 1.00 O ATOM 74 CB GLU A 203 2.310 -7.875 -4.863 1.00 1.00 C ATOM 75 CG GLU A 203 3.541 -8.707 -4.490 1.00 1.00 C ATOM 76 CD GLU A 203 4.673 -8.417 -5.476 1.00 1.00 C ATOM 77 OE1 GLU A 203 4.374 -8.018 -6.591 1.00 1.00 O ATOM 78 OE2 GLU A 203 5.820 -8.600 -5.103 1.00 1.00 O ATOM 0 H GLU A 203 -0.375 -7.510 -4.552 1.00 1.00 H new ATOM 0 HA GLU A 203 1.986 -7.960 -2.709 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.672 -8.436 -5.547 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.615 -6.968 -5.384 1.00 1.00 H new ATOM 0 HG2 GLU A 203 3.859 -8.469 -3.475 1.00 1.00 H new ATOM 0 HG3 GLU A 203 3.294 -9.768 -4.506 1.00 1.00 H new ATOM 85 N CYS A 204 1.827 -5.561 -2.192 1.00 1.00 N ATOM 86 CA CYS A 204 1.824 -4.099 -1.915 1.00 1.00 C ATOM 87 C CYS A 204 2.629 -3.352 -2.977 1.00 1.00 C ATOM 88 O CYS A 204 3.840 -3.444 -3.033 1.00 1.00 O ATOM 89 CB CYS A 204 2.484 -3.959 -0.550 1.00 1.00 C ATOM 90 SG CYS A 204 2.365 -2.246 0.009 1.00 1.00 S ATOM 0 H CYS A 204 2.082 -6.152 -1.401 1.00 1.00 H new ATOM 0 HA CYS A 204 0.818 -3.679 -1.931 1.00 1.00 H new ATOM 0 HB2 CYS A 204 2.000 -4.621 0.168 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.530 -4.261 -0.608 1.00 1.00 H new ATOM 95 N VAL A 205 1.967 -2.601 -3.811 1.00 1.00 N ATOM 96 CA VAL A 205 2.693 -1.835 -4.861 1.00 1.00 C ATOM 97 C VAL A 205 3.833 -1.028 -4.231 1.00 1.00 C ATOM 98 O VAL A 205 4.750 -0.600 -4.904 1.00 1.00 O ATOM 99 CB VAL A 205 1.643 -0.898 -5.457 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.602 -1.715 -6.223 1.00 1.00 C ATOM 101 CG2 VAL A 205 0.955 -0.126 -4.329 1.00 1.00 C ATOM 0 H VAL A 205 0.954 -2.484 -3.811 1.00 1.00 H new ATOM 0 HA VAL A 205 3.140 -2.484 -5.615 1.00 1.00 H new ATOM 0 HB VAL A 205 2.126 -0.198 -6.139 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.146 -1.045 -6.647 1.00 1.00 H new ATOM 0 HG12 VAL A 205 1.091 -2.267 -7.025 1.00 1.00 H new ATOM 0 HG13 VAL A 205 0.117 -2.416 -5.543 1.00 1.00 H new ATOM 0 HG21 VAL A 205 0.205 0.543 -4.751 1.00 1.00 H new ATOM 0 HG22 VAL A 205 0.473 -0.828 -3.649 1.00 1.00 H new ATOM 0 HG23 VAL A 205 1.696 0.457 -3.783 1.00 1.00 H new ATOM 111 N ASN A 206 3.770 -0.799 -2.946 1.00 1.00 N ATOM 112 CA ASN A 206 4.836 -0.001 -2.279 1.00 1.00 C ATOM 113 C ASN A 206 5.976 -0.890 -1.766 1.00 1.00 C ATOM 114 O ASN A 206 7.124 -0.684 -2.108 1.00 1.00 O ATOM 115 CB ASN A 206 4.132 0.690 -1.110 1.00 1.00 C ATOM 116 CG ASN A 206 3.582 2.041 -1.569 1.00 1.00 C ATOM 117 OD1 ASN A 206 2.438 2.362 -1.316 1.00 1.00 O ATOM 118 ND2 ASN A 206 4.353 2.854 -2.239 1.00 1.00 N ATOM 0 H ASN A 206 3.027 -1.130 -2.331 1.00 1.00 H new ATOM 0 HA ASN A 206 5.296 0.704 -2.971 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.321 0.063 -0.739 1.00 1.00 H new ATOM 0 HB3 ASN A 206 4.830 0.831 -0.284 1.00 1.00 H new ATOM 0 HD21 ASN A 206 3.995 3.757 -2.549 1.00 1.00 H new ATOM 0 HD22 ASN A 206 5.314 2.586 -2.452 1.00 1.00 H new ATOM 125 N CYS A 207 5.691 -1.853 -0.928 1.00 1.00 N ATOM 126 CA CYS A 207 6.786 -2.701 -0.394 1.00 1.00 C ATOM 127 C CYS A 207 6.588 -4.185 -0.757 1.00 1.00 C ATOM 128 O CYS A 207 7.403 -5.023 -0.427 1.00 1.00 O ATOM 129 CB CYS A 207 6.736 -2.460 1.117 1.00 1.00 C ATOM 130 SG CYS A 207 5.413 -3.428 1.878 1.00 1.00 S ATOM 0 H CYS A 207 4.755 -2.084 -0.596 1.00 1.00 H new ATOM 0 HA CYS A 207 7.758 -2.447 -0.817 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.693 -2.729 1.564 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.578 -1.400 1.316 1.00 1.00 H new ATOM 135 N GLY A 208 5.532 -4.513 -1.455 1.00 1.00 N ATOM 136 CA GLY A 208 5.314 -5.938 -1.865 1.00 1.00 C ATOM 137 C GLY A 208 4.809 -6.774 -0.685 1.00 1.00 C ATOM 138 O GLY A 208 4.720 -7.983 -0.762 1.00 1.00 O ATOM 0 H GLY A 208 4.811 -3.859 -1.760 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.592 -5.980 -2.681 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.246 -6.359 -2.242 1.00 1.00 H new ATOM 142 N ALA A 209 4.479 -6.142 0.400 1.00 1.00 N ATOM 143 CA ALA A 209 3.978 -6.890 1.588 1.00 1.00 C ATOM 144 C ALA A 209 2.871 -7.864 1.176 1.00 1.00 C ATOM 145 O ALA A 209 1.797 -7.463 0.774 1.00 1.00 O ATOM 146 CB ALA A 209 3.422 -5.811 2.513 1.00 1.00 C ATOM 0 H ALA A 209 4.534 -5.131 0.520 1.00 1.00 H new ATOM 0 HA ALA A 209 4.757 -7.484 2.065 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.030 -6.275 3.418 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.217 -5.114 2.778 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.622 -5.273 2.005 1.00 1.00 H new ATOM 152 N THR A 210 3.122 -9.141 1.274 1.00 1.00 N ATOM 153 CA THR A 210 2.084 -10.139 0.886 1.00 1.00 C ATOM 154 C THR A 210 1.455 -10.769 2.132 1.00 1.00 C ATOM 155 O THR A 210 0.479 -11.490 2.049 1.00 1.00 O ATOM 156 CB THR A 210 2.834 -11.195 0.074 1.00 1.00 C ATOM 157 OG1 THR A 210 3.840 -10.565 -0.705 1.00 1.00 O ATOM 158 CG2 THR A 210 1.853 -11.923 -0.845 1.00 1.00 C ATOM 0 H THR A 210 4.001 -9.537 1.606 1.00 1.00 H new ATOM 0 HA THR A 210 1.272 -9.686 0.318 1.00 1.00 H new ATOM 0 HB THR A 210 3.297 -11.914 0.750 1.00 1.00 H new ATOM 0 HG1 THR A 210 4.323 -11.241 -1.225 1.00 1.00 H new ATOM 0 HG21 THR A 210 2.387 -12.676 -1.424 1.00 1.00 H new ATOM 0 HG22 THR A 210 1.082 -12.406 -0.245 1.00 1.00 H new ATOM 0 HG23 THR A 210 1.389 -11.206 -1.522 1.00 1.00 H new ATOM 166 N ALA A 211 2.005 -10.510 3.285 1.00 1.00 N ATOM 167 CA ALA A 211 1.436 -11.103 4.531 1.00 1.00 C ATOM 168 C ALA A 211 0.616 -10.060 5.299 1.00 1.00 C ATOM 169 O ALA A 211 0.491 -10.122 6.506 1.00 1.00 O ATOM 170 CB ALA A 211 2.649 -11.539 5.352 1.00 1.00 C ATOM 0 H ALA A 211 2.822 -9.915 3.420 1.00 1.00 H new ATOM 0 HA ALA A 211 0.764 -11.935 4.318 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.313 -11.987 6.287 1.00 1.00 H new ATOM 0 HB2 ALA A 211 3.227 -12.270 4.787 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.273 -10.672 5.568 1.00 1.00 H new ATOM 176 N THR A 212 0.051 -9.104 4.612 1.00 1.00 N ATOM 177 CA THR A 212 -0.762 -8.068 5.311 1.00 1.00 C ATOM 178 C THR A 212 -2.066 -8.683 5.829 1.00 1.00 C ATOM 179 O THR A 212 -2.565 -9.639 5.269 1.00 1.00 O ATOM 180 CB THR A 212 -1.053 -7.003 4.251 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.930 -6.028 4.793 1.00 1.00 O ATOM 182 CG2 THR A 212 -1.703 -7.658 3.031 1.00 1.00 C ATOM 0 H THR A 212 0.117 -8.996 3.600 1.00 1.00 H new ATOM 0 HA THR A 212 -0.243 -7.649 6.173 1.00 1.00 H new ATOM 0 HB THR A 212 -0.121 -6.526 3.948 1.00 1.00 H new ATOM 0 HG1 THR A 212 -1.444 -5.187 4.924 1.00 1.00 H new ATOM 0 HG21 THR A 212 -1.910 -6.898 2.277 1.00 1.00 H new ATOM 0 HG22 THR A 212 -1.027 -8.406 2.617 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.636 -8.137 3.329 1.00 1.00 H new ATOM 190 N PRO A 213 -2.574 -8.111 6.888 1.00 1.00 N ATOM 191 CA PRO A 213 -3.836 -8.607 7.494 1.00 1.00 C ATOM 192 C PRO A 213 -5.030 -8.244 6.611 1.00 1.00 C ATOM 193 O PRO A 213 -6.115 -8.771 6.771 1.00 1.00 O ATOM 194 CB PRO A 213 -3.906 -7.868 8.828 1.00 1.00 C ATOM 195 CG PRO A 213 -3.094 -6.629 8.627 1.00 1.00 C ATOM 196 CD PRO A 213 -2.028 -6.958 7.613 1.00 1.00 C ATOM 0 HA PRO A 213 -3.859 -9.691 7.609 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -4.936 -7.627 9.092 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -3.504 -8.477 9.638 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.721 -5.810 8.275 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.646 -6.306 9.566 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.840 -6.118 6.944 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -1.080 -7.201 8.094 1.00 1.00 H new ATOM 204 N LEU A 214 -4.843 -7.349 5.682 1.00 1.00 N ATOM 205 CA LEU A 214 -5.969 -6.955 4.789 1.00 1.00 C ATOM 206 C LEU A 214 -5.461 -6.028 3.681 1.00 1.00 C ATOM 207 O LEU A 214 -4.571 -5.227 3.886 1.00 1.00 O ATOM 208 CB LEU A 214 -6.954 -6.219 5.699 1.00 1.00 C ATOM 209 CG LEU A 214 -8.378 -6.421 5.181 1.00 1.00 C ATOM 210 CD1 LEU A 214 -8.863 -7.824 5.556 1.00 1.00 C ATOM 211 CD2 LEU A 214 -9.303 -5.377 5.811 1.00 1.00 C ATOM 0 H LEU A 214 -3.959 -6.873 5.502 1.00 1.00 H new ATOM 0 HA LEU A 214 -6.431 -7.812 4.299 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -6.871 -6.592 6.720 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -6.714 -5.156 5.728 1.00 1.00 H new ATOM 0 HG LEU A 214 -8.389 -6.310 4.097 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -9.878 -7.969 5.187 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -8.205 -8.568 5.108 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -8.852 -7.935 6.640 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -10.319 -5.521 5.442 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -9.292 -5.488 6.895 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -8.958 -4.378 5.545 1.00 1.00 H new ATOM 223 N TRP A 215 -6.015 -6.135 2.504 1.00 1.00 N ATOM 224 CA TRP A 215 -5.559 -5.267 1.383 1.00 1.00 C ATOM 225 C TRP A 215 -6.505 -4.075 1.217 1.00 1.00 C ATOM 226 O TRP A 215 -7.661 -4.129 1.587 1.00 1.00 O ATOM 227 CB TRP A 215 -5.614 -6.165 0.149 1.00 1.00 C ATOM 228 CG TRP A 215 -4.551 -7.212 0.241 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.732 -8.458 0.736 1.00 1.00 C ATOM 230 CD2 TRP A 215 -3.151 -7.130 -0.158 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.536 -9.146 0.668 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.530 -8.371 0.124 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.367 -6.113 -0.732 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.181 -8.593 -0.152 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -1.008 -6.335 -1.011 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.416 -7.572 -0.720 1.00 1.00 C ATOM 0 H TRP A 215 -6.764 -6.787 2.271 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.562 -4.860 1.553 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.595 -6.634 0.072 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.474 -5.569 -0.753 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.661 -8.851 1.122 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.411 -10.109 0.981 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.812 -5.156 -0.960 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -0.731 -9.549 0.072 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.415 -5.547 -1.453 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.630 -7.735 -0.935 1.00 1.00 H new ATOM 247 N ARG A 216 -6.023 -3.001 0.654 1.00 1.00 N ATOM 248 CA ARG A 216 -6.892 -1.806 0.452 1.00 1.00 C ATOM 249 C ARG A 216 -6.445 -1.047 -0.800 1.00 1.00 C ATOM 250 O ARG A 216 -5.278 -0.753 -0.971 1.00 1.00 O ATOM 251 CB ARG A 216 -6.692 -0.948 1.701 1.00 1.00 C ATOM 252 CG ARG A 216 -7.933 -0.082 1.927 1.00 1.00 C ATOM 253 CD ARG A 216 -9.070 -0.953 2.464 1.00 1.00 C ATOM 254 NE ARG A 216 -10.090 0.008 2.968 1.00 1.00 N ATOM 255 CZ ARG A 216 -11.285 -0.414 3.277 1.00 1.00 C ATOM 256 NH1 ARG A 216 -11.450 -1.623 3.739 1.00 1.00 N ATOM 257 NH2 ARG A 216 -12.316 0.372 3.126 1.00 1.00 N ATOM 0 H ARG A 216 -5.063 -2.899 0.324 1.00 1.00 H new ATOM 0 HA ARG A 216 -7.940 -2.073 0.312 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -6.516 -1.584 2.568 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -5.811 -0.317 1.585 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -7.708 0.718 2.633 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -8.234 0.393 0.993 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -9.482 -1.590 1.681 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -8.721 -1.611 3.260 1.00 1.00 H new ATOM 0 HE ARG A 216 -9.854 0.995 3.071 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -10.645 -2.238 3.858 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -12.384 -1.953 3.981 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -12.188 1.318 2.766 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -13.250 0.041 3.368 1.00 1.00 H new ATOM 271 N ARG A 217 -7.355 -0.737 -1.682 1.00 1.00 N ATOM 272 CA ARG A 217 -6.966 -0.010 -2.921 1.00 1.00 C ATOM 273 C ARG A 217 -7.058 1.502 -2.714 1.00 1.00 C ATOM 274 O ARG A 217 -7.540 1.977 -1.705 1.00 1.00 O ATOM 275 CB ARG A 217 -7.968 -0.465 -3.979 1.00 1.00 C ATOM 276 CG ARG A 217 -7.834 -1.972 -4.203 1.00 1.00 C ATOM 277 CD ARG A 217 -9.151 -2.525 -4.755 1.00 1.00 C ATOM 278 NE ARG A 217 -9.456 -1.684 -5.947 1.00 1.00 N ATOM 279 CZ ARG A 217 -9.079 -2.070 -7.135 1.00 1.00 C ATOM 280 NH1 ARG A 217 -8.105 -2.930 -7.264 1.00 1.00 N ATOM 281 NH2 ARG A 217 -9.676 -1.598 -8.196 1.00 1.00 N ATOM 0 H ARG A 217 -8.348 -0.955 -1.598 1.00 1.00 H new ATOM 0 HA ARG A 217 -5.937 -0.223 -3.210 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -8.982 -0.224 -3.661 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.792 0.068 -4.913 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -7.021 -2.176 -4.900 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -7.583 -2.469 -3.266 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -9.054 -3.576 -5.028 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -9.947 -2.461 -4.013 1.00 1.00 H new ATOM 0 HE ARG A 217 -9.961 -0.805 -5.834 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -7.639 -3.300 -6.436 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -7.811 -3.232 -8.193 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -10.438 -0.927 -8.097 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -9.381 -1.900 -9.124 1.00 1.00 H new ATOM 295 N ASP A 218 -6.589 2.255 -3.668 1.00 1.00 N ATOM 296 CA ASP A 218 -6.629 3.734 -3.552 1.00 1.00 C ATOM 297 C ASP A 218 -7.116 4.349 -4.869 1.00 1.00 C ATOM 298 O ASP A 218 -7.721 3.686 -5.687 1.00 1.00 O ATOM 299 CB ASP A 218 -5.179 4.144 -3.273 1.00 1.00 C ATOM 300 CG ASP A 218 -4.220 3.283 -4.100 1.00 1.00 C ATOM 301 OD1 ASP A 218 -4.008 2.142 -3.725 1.00 1.00 O ATOM 302 OD2 ASP A 218 -3.714 3.780 -5.093 1.00 1.00 O ATOM 0 H ASP A 218 -6.176 1.903 -4.531 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.308 4.074 -2.770 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -5.037 5.197 -3.517 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -4.959 4.030 -2.212 1.00 1.00 H new ATOM 307 N ARG A 219 -6.854 5.609 -5.079 1.00 1.00 N ATOM 308 CA ARG A 219 -7.298 6.266 -6.342 1.00 1.00 C ATOM 309 C ARG A 219 -6.834 5.464 -7.558 1.00 1.00 C ATOM 310 O ARG A 219 -7.501 5.411 -8.572 1.00 1.00 O ATOM 311 CB ARG A 219 -6.617 7.635 -6.334 1.00 1.00 C ATOM 312 CG ARG A 219 -7.654 8.722 -6.058 1.00 1.00 C ATOM 313 CD ARG A 219 -7.350 9.387 -4.714 1.00 1.00 C ATOM 314 NE ARG A 219 -8.679 9.802 -4.182 1.00 1.00 N ATOM 315 CZ ARG A 219 -8.774 10.302 -2.979 1.00 1.00 C ATOM 316 NH1 ARG A 219 -8.161 11.416 -2.687 1.00 1.00 N ATOM 317 NH2 ARG A 219 -9.480 9.688 -2.070 1.00 1.00 N ATOM 0 H ARG A 219 -6.351 6.214 -4.430 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.384 6.338 -6.401 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -5.838 7.660 -5.572 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -6.132 7.816 -7.293 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.639 9.465 -6.855 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.655 8.290 -6.044 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -6.851 8.696 -4.035 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -6.689 10.245 -4.838 1.00 1.00 H new ATOM 0 HE ARG A 219 -9.514 9.696 -4.757 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -7.608 11.895 -3.398 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -8.234 11.808 -1.748 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -9.958 8.817 -2.298 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -9.554 10.079 -1.131 1.00 1.00 H new ATOM 331 N THR A 220 -5.688 4.849 -7.469 1.00 1.00 N ATOM 332 CA THR A 220 -5.173 4.067 -8.627 1.00 1.00 C ATOM 333 C THR A 220 -5.661 2.617 -8.558 1.00 1.00 C ATOM 334 O THR A 220 -5.520 1.859 -9.497 1.00 1.00 O ATOM 335 CB THR A 220 -3.651 4.138 -8.497 1.00 1.00 C ATOM 336 OG1 THR A 220 -3.231 3.310 -7.421 1.00 1.00 O ATOM 337 CG2 THR A 220 -3.234 5.585 -8.225 1.00 1.00 C ATOM 0 H THR A 220 -5.086 4.854 -6.645 1.00 1.00 H new ATOM 0 HA THR A 220 -5.521 4.462 -9.582 1.00 1.00 H new ATOM 0 HB THR A 220 -3.186 3.794 -9.421 1.00 1.00 H new ATOM 0 HG1 THR A 220 -3.260 3.820 -6.585 1.00 1.00 H new ATOM 0 HG21 THR A 220 -2.149 5.640 -8.132 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.560 6.219 -9.050 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.696 5.929 -7.299 1.00 1.00 H new ATOM 345 N GLY A 221 -6.250 2.229 -7.461 1.00 1.00 N ATOM 346 CA GLY A 221 -6.764 0.839 -7.343 1.00 1.00 C ATOM 347 C GLY A 221 -5.621 -0.127 -7.011 1.00 1.00 C ATOM 348 O GLY A 221 -5.702 -1.308 -7.287 1.00 1.00 O ATOM 0 H GLY A 221 -6.397 2.817 -6.641 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.526 0.791 -6.565 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -7.241 0.541 -8.276 1.00 1.00 H new ATOM 352 N HIS A 222 -4.562 0.355 -6.420 1.00 1.00 N ATOM 353 CA HIS A 222 -3.428 -0.553 -6.073 1.00 1.00 C ATOM 354 C HIS A 222 -3.798 -1.416 -4.861 1.00 1.00 C ATOM 355 O HIS A 222 -4.952 -1.543 -4.512 1.00 1.00 O ATOM 356 CB HIS A 222 -2.261 0.374 -5.737 1.00 1.00 C ATOM 357 CG HIS A 222 -1.773 1.041 -6.994 1.00 1.00 C ATOM 358 ND1 HIS A 222 -2.437 0.912 -8.204 1.00 1.00 N ATOM 359 CD2 HIS A 222 -0.690 1.847 -7.243 1.00 1.00 C ATOM 360 CE1 HIS A 222 -1.753 1.624 -9.118 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.680 2.214 -8.585 1.00 1.00 N ATOM 0 H HIS A 222 -4.431 1.333 -6.163 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.180 -1.235 -6.887 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.576 1.125 -5.013 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.453 -0.194 -5.276 1.00 1.00 H new ATOM 0 HD2 HIS A 222 0.042 2.150 -6.509 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -2.037 1.708 -10.157 1.00 1.00 H new ATOM 0 HE2 HIS A 222 0.001 2.807 -9.060 1.00 1.00 H new ATOM 369 N TYR A 223 -2.831 -2.017 -4.221 1.00 1.00 N ATOM 370 CA TYR A 223 -3.137 -2.871 -3.044 1.00 1.00 C ATOM 371 C TYR A 223 -2.034 -2.747 -1.988 1.00 1.00 C ATOM 372 O TYR A 223 -1.277 -3.669 -1.768 1.00 1.00 O ATOM 373 CB TYR A 223 -3.167 -4.290 -3.600 1.00 1.00 C ATOM 374 CG TYR A 223 -4.547 -4.606 -4.124 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.646 -4.608 -3.255 1.00 1.00 C ATOM 376 CD2 TYR A 223 -4.725 -4.894 -5.482 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.922 -4.902 -3.748 1.00 1.00 C ATOM 378 CE2 TYR A 223 -6.003 -5.187 -5.973 1.00 1.00 C ATOM 379 CZ TYR A 223 -7.102 -5.192 -5.106 1.00 1.00 C ATOM 380 OH TYR A 223 -8.362 -5.481 -5.589 1.00 1.00 O ATOM 0 H TYR A 223 -1.843 -1.952 -4.465 1.00 1.00 H new ATOM 0 HA TYR A 223 -4.072 -2.587 -2.562 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.433 -4.393 -4.399 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.892 -5.001 -2.821 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -5.509 -4.383 -2.208 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -3.877 -4.890 -6.151 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -7.770 -4.905 -3.079 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -6.141 -5.409 -7.021 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.311 -5.658 -6.552 1.00 1.00 H new ATOM 390 N LEU A 224 -1.930 -1.622 -1.333 1.00 1.00 N ATOM 391 CA LEU A 224 -0.863 -1.472 -0.302 1.00 1.00 C ATOM 392 C LEU A 224 -1.031 -2.536 0.788 1.00 1.00 C ATOM 393 O LEU A 224 -1.925 -3.358 0.730 1.00 1.00 O ATOM 394 CB LEU A 224 -1.047 -0.071 0.278 1.00 1.00 C ATOM 395 CG LEU A 224 0.168 0.783 -0.080 1.00 1.00 C ATOM 396 CD1 LEU A 224 0.357 0.794 -1.596 1.00 1.00 C ATOM 397 CD2 LEU A 224 -0.054 2.214 0.415 1.00 1.00 C ATOM 0 H LEU A 224 -2.531 -0.808 -1.465 1.00 1.00 H new ATOM 0 HA LEU A 224 0.134 -1.601 -0.723 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -1.955 0.383 -0.118 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -1.163 -0.125 1.360 1.00 1.00 H new ATOM 0 HG LEU A 224 1.057 0.366 0.393 1.00 1.00 H new ATOM 0 HD11 LEU A 224 1.224 1.404 -1.850 1.00 1.00 H new ATOM 0 HD12 LEU A 224 0.513 -0.225 -1.951 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.531 1.211 -2.070 1.00 1.00 H new ATOM 0 HD21 LEU A 224 0.812 2.825 0.161 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -0.943 2.629 -0.059 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -0.189 2.208 1.497 1.00 1.00 H new ATOM 409 N CYS A 225 -0.179 -2.536 1.778 1.00 1.00 N ATOM 410 CA CYS A 225 -0.297 -3.560 2.857 1.00 1.00 C ATOM 411 C CYS A 225 -0.807 -2.929 4.159 1.00 1.00 C ATOM 412 O CYS A 225 -1.583 -3.524 4.880 1.00 1.00 O ATOM 413 CB CYS A 225 1.120 -4.108 3.044 1.00 1.00 C ATOM 414 SG CYS A 225 2.194 -2.812 3.709 1.00 1.00 S ATOM 0 H CYS A 225 0.590 -1.875 1.886 1.00 1.00 H new ATOM 0 HA CYS A 225 -1.009 -4.343 2.595 1.00 1.00 H new ATOM 0 HB2 CYS A 225 1.103 -4.962 3.721 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.511 -4.464 2.091 1.00 1.00 H new ATOM 419 N ASN A 226 -0.376 -1.734 4.471 1.00 1.00 N ATOM 420 CA ASN A 226 -0.840 -1.078 5.731 1.00 1.00 C ATOM 421 C ASN A 226 0.017 0.154 6.041 1.00 1.00 C ATOM 422 O ASN A 226 -0.407 1.279 5.871 1.00 1.00 O ATOM 423 CB ASN A 226 -0.657 -2.131 6.831 1.00 1.00 C ATOM 424 CG ASN A 226 -2.017 -2.473 7.442 1.00 1.00 C ATOM 425 OD1 ASN A 226 -2.990 -2.643 6.735 1.00 1.00 O ATOM 426 ND2 ASN A 226 -2.127 -2.583 8.738 1.00 1.00 N ATOM 0 H ASN A 226 0.275 -1.185 3.910 1.00 1.00 H new ATOM 0 HA ASN A 226 -1.874 -0.742 5.651 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -0.196 -3.028 6.417 1.00 1.00 H new ATOM 0 HB3 ASN A 226 0.015 -1.754 7.602 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -3.029 -2.811 9.156 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -1.311 -2.441 9.333 1.00 1.00 H new ATOM 433 N ALA A 227 1.219 -0.056 6.504 1.00 1.00 N ATOM 434 CA ALA A 227 2.107 1.095 6.838 1.00 1.00 C ATOM 435 C ALA A 227 2.406 1.931 5.591 1.00 1.00 C ATOM 436 O ALA A 227 2.780 3.083 5.682 1.00 1.00 O ATOM 437 CB ALA A 227 3.391 0.458 7.373 1.00 1.00 C ATOM 0 H ALA A 227 1.626 -0.977 6.666 1.00 1.00 H new ATOM 0 HA ALA A 227 1.646 1.768 7.561 1.00 1.00 H new ATOM 0 HB1 ALA A 227 4.100 1.240 7.643 1.00 1.00 H new ATOM 0 HB2 ALA A 227 3.160 -0.142 8.253 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.829 -0.179 6.604 1.00 1.00 H new ATOM 443 N CYS A 228 2.250 1.364 4.426 1.00 1.00 N ATOM 444 CA CYS A 228 2.532 2.132 3.181 1.00 1.00 C ATOM 445 C CYS A 228 1.400 3.120 2.894 1.00 1.00 C ATOM 446 O CYS A 228 1.567 4.074 2.159 1.00 1.00 O ATOM 447 CB CYS A 228 2.624 1.080 2.089 1.00 1.00 C ATOM 448 SG CYS A 228 4.126 0.092 2.325 1.00 1.00 S ATOM 0 H CYS A 228 1.940 0.403 4.283 1.00 1.00 H new ATOM 0 HA CYS A 228 3.445 2.723 3.255 1.00 1.00 H new ATOM 0 HB2 CYS A 228 1.745 0.436 2.115 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.641 1.558 1.110 1.00 1.00 H new ATOM 453 N GLY A 229 0.249 2.903 3.469 1.00 1.00 N ATOM 454 CA GLY A 229 -0.889 3.832 3.231 1.00 1.00 C ATOM 455 C GLY A 229 -0.882 4.922 4.302 1.00 1.00 C ATOM 456 O GLY A 229 -1.376 6.013 4.094 1.00 1.00 O ATOM 0 H GLY A 229 0.048 2.122 4.093 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.808 4.279 2.240 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.832 3.285 3.258 1.00 1.00 H new ATOM 460 N LEU A 230 -0.321 4.636 5.447 1.00 1.00 N ATOM 461 CA LEU A 230 -0.277 5.656 6.534 1.00 1.00 C ATOM 462 C LEU A 230 0.062 7.031 5.957 1.00 1.00 C ATOM 463 O LEU A 230 -0.619 8.005 6.207 1.00 1.00 O ATOM 464 CB LEU A 230 0.826 5.187 7.479 1.00 1.00 C ATOM 465 CG LEU A 230 0.339 5.294 8.925 1.00 1.00 C ATOM 466 CD1 LEU A 230 1.144 4.338 9.808 1.00 1.00 C ATOM 467 CD2 LEU A 230 0.532 6.728 9.421 1.00 1.00 C ATOM 0 H LEU A 230 0.109 3.740 5.676 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.235 5.752 7.044 1.00 1.00 H new ATOM 0 HB2 LEU A 230 1.100 4.157 7.252 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.721 5.793 7.340 1.00 1.00 H new ATOM 0 HG LEU A 230 -0.717 5.030 8.973 1.00 1.00 H new ATOM 0 HD11 LEU A 230 0.797 4.415 10.838 1.00 1.00 H new ATOM 0 HD12 LEU A 230 1.009 3.316 9.455 1.00 1.00 H new ATOM 0 HD13 LEU A 230 2.201 4.602 9.761 1.00 1.00 H new ATOM 0 HD21 LEU A 230 0.185 6.806 10.451 1.00 1.00 H new ATOM 0 HD22 LEU A 230 1.589 6.991 9.373 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -0.041 7.410 8.793 1.00 1.00 H new ATOM 479 N TYR A 231 1.109 7.119 5.183 1.00 1.00 N ATOM 480 CA TYR A 231 1.484 8.435 4.589 1.00 1.00 C ATOM 481 C TYR A 231 0.259 9.075 3.932 1.00 1.00 C ATOM 482 O TYR A 231 -0.020 10.242 4.120 1.00 1.00 O ATOM 483 CB TYR A 231 2.550 8.107 3.542 1.00 1.00 C ATOM 484 CG TYR A 231 3.484 9.284 3.389 1.00 1.00 C ATOM 485 CD1 TYR A 231 4.395 9.591 4.407 1.00 1.00 C ATOM 486 CD2 TYR A 231 3.441 10.066 2.228 1.00 1.00 C ATOM 487 CE1 TYR A 231 5.261 10.683 4.264 1.00 1.00 C ATOM 488 CE2 TYR A 231 4.307 11.156 2.085 1.00 1.00 C ATOM 489 CZ TYR A 231 5.217 11.464 3.103 1.00 1.00 C ATOM 490 OH TYR A 231 6.070 12.539 2.964 1.00 1.00 O ATOM 0 H TYR A 231 1.720 6.340 4.936 1.00 1.00 H new ATOM 0 HA TYR A 231 1.853 9.141 5.333 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.110 7.221 3.843 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.078 7.877 2.587 1.00 1.00 H new ATOM 0 HD1 TYR A 231 4.430 8.987 5.301 1.00 1.00 H new ATOM 0 HD2 TYR A 231 2.739 9.828 1.443 1.00 1.00 H new ATOM 0 HE1 TYR A 231 5.963 10.922 5.049 1.00 1.00 H new ATOM 0 HE2 TYR A 231 4.273 11.759 1.190 1.00 1.00 H new ATOM 0 HH TYR A 231 5.911 12.973 2.100 1.00 1.00 H new ATOM 500 N HIS A 232 -0.475 8.317 3.163 1.00 1.00 N ATOM 501 CA HIS A 232 -1.682 8.876 2.496 1.00 1.00 C ATOM 502 C HIS A 232 -2.749 9.226 3.539 1.00 1.00 C ATOM 503 O HIS A 232 -3.680 9.958 3.268 1.00 1.00 O ATOM 504 CB HIS A 232 -2.176 7.759 1.577 1.00 1.00 C ATOM 505 CG HIS A 232 -2.879 8.356 0.387 1.00 1.00 C ATOM 506 ND1 HIS A 232 -2.414 9.052 -0.701 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -4.251 8.260 0.215 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -3.476 9.382 -1.537 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -4.561 8.882 -0.936 1.00 1.00 N flip ATOM 0 H HIS A 232 -0.289 7.333 2.969 1.00 1.00 H new ATOM 0 HA HIS A 232 -1.465 9.792 1.946 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -1.336 7.148 1.247 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -2.854 7.101 2.120 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -1.437 9.291 -0.871 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -4.945 7.774 0.884 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -3.433 9.925 -2.470 1.00 1.00 H new ATOM 517 N LYS A 233 -2.620 8.706 4.730 1.00 1.00 N ATOM 518 CA LYS A 233 -3.627 9.005 5.788 1.00 1.00 C ATOM 519 C LYS A 233 -3.381 10.396 6.380 1.00 1.00 C ATOM 520 O LYS A 233 -4.286 11.197 6.504 1.00 1.00 O ATOM 521 CB LYS A 233 -3.420 7.926 6.852 1.00 1.00 C ATOM 522 CG LYS A 233 -3.555 6.544 6.210 1.00 1.00 C ATOM 523 CD LYS A 233 -3.952 5.519 7.275 1.00 1.00 C ATOM 524 CE LYS A 233 -5.442 5.661 7.591 1.00 1.00 C ATOM 525 NZ LYS A 233 -5.526 5.617 9.077 1.00 1.00 N ATOM 0 H LYS A 233 -1.861 8.087 5.016 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.645 9.003 5.398 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -2.435 8.033 7.307 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.154 8.041 7.650 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -4.305 6.571 5.419 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -2.613 6.254 5.745 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -3.739 4.510 6.921 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -3.362 5.671 8.179 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -5.841 6.597 7.201 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -6.020 4.855 7.139 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -6.519 5.709 9.371 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -5.145 4.712 9.420 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -4.972 6.400 9.479 1.00 1.00 H new ATOM 539 N MET A 234 -2.164 10.690 6.751 1.00 1.00 N ATOM 540 CA MET A 234 -1.864 12.029 7.338 1.00 1.00 C ATOM 541 C MET A 234 -1.432 13.005 6.243 1.00 1.00 C ATOM 542 O MET A 234 -2.087 13.998 5.987 1.00 1.00 O ATOM 543 CB MET A 234 -0.717 11.783 8.319 1.00 1.00 C ATOM 544 CG MET A 234 -1.287 11.426 9.693 1.00 1.00 C ATOM 545 SD MET A 234 -0.796 12.686 10.897 1.00 1.00 S ATOM 546 CE MET A 234 -1.422 11.848 12.373 1.00 1.00 C ATOM 0 H MET A 234 -1.364 10.062 6.673 1.00 1.00 H new ATOM 0 HA MET A 234 -2.734 12.468 7.827 1.00 1.00 H new ATOM 0 HB2 MET A 234 -0.081 10.975 7.956 1.00 1.00 H new ATOM 0 HB3 MET A 234 -0.091 12.672 8.393 1.00 1.00 H new ATOM 0 HG2 MET A 234 -2.374 11.361 9.642 1.00 1.00 H new ATOM 0 HG3 MET A 234 -0.923 10.447 10.006 1.00 1.00 H new ATOM 0 HE1 MET A 234 -1.222 12.461 13.252 1.00 1.00 H new ATOM 0 HE2 MET A 234 -2.497 11.694 12.276 1.00 1.00 H new ATOM 0 HE3 MET A 234 -0.925 10.884 12.482 1.00 1.00 H new ATOM 556 N ASN A 235 -0.335 12.734 5.599 1.00 1.00 N ATOM 557 CA ASN A 235 0.146 13.646 4.521 1.00 1.00 C ATOM 558 C ASN A 235 -0.743 13.519 3.282 1.00 1.00 C ATOM 559 O ASN A 235 -1.016 14.486 2.599 1.00 1.00 O ATOM 560 CB ASN A 235 1.568 13.178 4.212 1.00 1.00 C ATOM 561 CG ASN A 235 2.555 13.909 5.124 1.00 1.00 C ATOM 562 OD1 ASN A 235 3.063 14.956 4.775 1.00 1.00 O ATOM 563 ND2 ASN A 235 2.849 13.396 6.289 1.00 1.00 N ATOM 0 H ASN A 235 0.253 11.919 5.771 1.00 1.00 H new ATOM 0 HA ASN A 235 0.118 14.693 4.824 1.00 1.00 H new ATOM 0 HB2 ASN A 235 1.648 12.101 4.361 1.00 1.00 H new ATOM 0 HB3 ASN A 235 1.808 13.374 3.167 1.00 1.00 H new ATOM 0 HD21 ASN A 235 3.505 13.875 6.906 1.00 1.00 H new ATOM 0 HD22 ASN A 235 2.422 12.517 6.582 1.00 1.00 H new ATOM 570 N GLY A 236 -1.196 12.333 2.990 1.00 1.00 N ATOM 571 CA GLY A 236 -2.068 12.138 1.802 1.00 1.00 C ATOM 572 C GLY A 236 -1.207 11.894 0.561 1.00 1.00 C ATOM 573 O GLY A 236 -1.700 11.496 -0.476 1.00 1.00 O ATOM 0 H GLY A 236 -0.999 11.488 3.526 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -2.736 11.292 1.965 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -2.697 13.016 1.653 1.00 1.00 H new ATOM 577 N GLN A 237 0.071 12.132 0.654 1.00 1.00 N ATOM 578 CA GLN A 237 0.957 11.912 -0.527 1.00 1.00 C ATOM 579 C GLN A 237 1.315 10.427 -0.657 1.00 1.00 C ATOM 580 O GLN A 237 0.784 9.585 0.039 1.00 1.00 O ATOM 581 CB GLN A 237 2.208 12.742 -0.248 1.00 1.00 C ATOM 582 CG GLN A 237 1.934 14.209 -0.585 1.00 1.00 C ATOM 583 CD GLN A 237 3.041 14.736 -1.500 1.00 1.00 C ATOM 584 OE1 GLN A 237 3.129 14.355 -2.650 1.00 1.00 O ATOM 585 NE2 GLN A 237 3.898 15.604 -1.033 1.00 1.00 N ATOM 0 H GLN A 237 0.542 12.469 1.494 1.00 1.00 H new ATOM 0 HA GLN A 237 0.475 12.203 -1.460 1.00 1.00 H new ATOM 0 HB2 GLN A 237 2.495 12.646 0.799 1.00 1.00 H new ATOM 0 HB3 GLN A 237 3.043 12.371 -0.842 1.00 1.00 H new ATOM 0 HG2 GLN A 237 0.965 14.306 -1.075 1.00 1.00 H new ATOM 0 HG3 GLN A 237 1.890 14.801 0.329 1.00 1.00 H new ATOM 0 HE21 GLN A 237 3.825 15.924 -0.067 1.00 1.00 H new ATOM 0 HE22 GLN A 237 4.641 15.962 -1.634 1.00 1.00 H new ATOM 594 N ASN A 238 2.219 10.103 -1.543 1.00 1.00 N ATOM 595 CA ASN A 238 2.620 8.677 -1.718 1.00 1.00 C ATOM 596 C ASN A 238 3.989 8.434 -1.075 1.00 1.00 C ATOM 597 O ASN A 238 4.904 9.217 -1.229 1.00 1.00 O ATOM 598 CB ASN A 238 2.695 8.468 -3.231 1.00 1.00 C ATOM 599 CG ASN A 238 1.310 8.104 -3.769 1.00 1.00 C ATOM 600 OD1 ASN A 238 1.020 6.949 -4.003 1.00 1.00 O ATOM 601 ND2 ASN A 238 0.436 9.052 -3.976 1.00 1.00 N ATOM 0 H ASN A 238 2.697 10.765 -2.154 1.00 1.00 H new ATOM 0 HA ASN A 238 1.918 7.989 -1.247 1.00 1.00 H new ATOM 0 HB2 ASN A 238 3.058 9.374 -3.716 1.00 1.00 H new ATOM 0 HB3 ASN A 238 3.406 7.676 -3.464 1.00 1.00 H new ATOM 0 HD21 ASN A 238 -0.491 8.822 -4.334 1.00 1.00 H new ATOM 0 HD22 ASN A 238 0.680 10.023 -3.779 1.00 1.00 H new ATOM 608 N ARG A 239 4.136 7.355 -0.355 1.00 1.00 N ATOM 609 CA ARG A 239 5.449 7.071 0.296 1.00 1.00 C ATOM 610 C ARG A 239 6.546 6.936 -0.764 1.00 1.00 C ATOM 611 O ARG A 239 6.268 6.669 -1.916 1.00 1.00 O ATOM 612 CB ARG A 239 5.247 5.747 1.035 1.00 1.00 C ATOM 613 CG ARG A 239 4.723 6.025 2.446 1.00 1.00 C ATOM 614 CD ARG A 239 5.471 5.150 3.454 1.00 1.00 C ATOM 615 NE ARG A 239 4.536 5.001 4.603 1.00 1.00 N ATOM 616 CZ ARG A 239 4.959 5.205 5.820 1.00 1.00 C ATOM 617 NH1 ARG A 239 6.005 4.565 6.265 1.00 1.00 N ATOM 618 NH2 ARG A 239 4.333 6.047 6.597 1.00 1.00 N ATOM 0 H ARG A 239 3.408 6.660 -0.189 1.00 1.00 H new ATOM 0 HA ARG A 239 5.758 7.869 0.971 1.00 1.00 H new ATOM 0 HB2 ARG A 239 4.542 5.118 0.491 1.00 1.00 H new ATOM 0 HB3 ARG A 239 6.188 5.200 1.086 1.00 1.00 H new ATOM 0 HG2 ARG A 239 4.857 7.078 2.694 1.00 1.00 H new ATOM 0 HG3 ARG A 239 3.654 5.820 2.494 1.00 1.00 H new ATOM 0 HD2 ARG A 239 5.725 4.181 3.024 1.00 1.00 H new ATOM 0 HD3 ARG A 239 6.406 5.616 3.764 1.00 1.00 H new ATOM 0 HE ARG A 239 3.564 4.739 4.438 1.00 1.00 H new ATOM 0 HH11 ARG A 239 6.493 3.904 5.661 1.00 1.00 H new ATOM 0 HH12 ARG A 239 6.334 4.726 7.217 1.00 1.00 H new ATOM 0 HH21 ARG A 239 3.513 6.546 6.253 1.00 1.00 H new ATOM 0 HH22 ARG A 239 4.664 6.206 7.549 1.00 1.00 H new ATOM 632 N PRO A 240 7.761 7.127 -0.331 1.00 1.00 N ATOM 633 CA PRO A 240 8.926 7.030 -1.250 1.00 1.00 C ATOM 634 C PRO A 240 9.152 5.580 -1.695 1.00 1.00 C ATOM 635 O PRO A 240 8.666 5.155 -2.723 1.00 1.00 O ATOM 636 CB PRO A 240 10.092 7.533 -0.402 1.00 1.00 C ATOM 637 CG PRO A 240 9.667 7.303 1.013 1.00 1.00 C ATOM 638 CD PRO A 240 8.168 7.448 1.042 1.00 1.00 C ATOM 0 HA PRO A 240 8.793 7.603 -2.168 1.00 1.00 H new ATOM 0 HB2 PRO A 240 11.010 6.992 -0.632 1.00 1.00 H new ATOM 0 HB3 PRO A 240 10.289 8.589 -0.588 1.00 1.00 H new ATOM 0 HG2 PRO A 240 9.967 6.311 1.351 1.00 1.00 H new ATOM 0 HG3 PRO A 240 10.139 8.024 1.681 1.00 1.00 H new ATOM 0 HD2 PRO A 240 7.714 6.769 1.763 1.00 1.00 H new ATOM 0 HD3 PRO A 240 7.869 8.458 1.323 1.00 1.00 H new ATOM 646 N LEU A 241 9.892 4.822 -0.933 1.00 1.00 N ATOM 647 CA LEU A 241 10.152 3.405 -1.318 1.00 1.00 C ATOM 648 C LEU A 241 10.671 3.337 -2.756 1.00 1.00 C ATOM 649 O LEU A 241 10.968 4.343 -3.368 1.00 1.00 O ATOM 650 CB LEU A 241 8.798 2.706 -1.204 1.00 1.00 C ATOM 651 CG LEU A 241 8.596 2.218 0.231 1.00 1.00 C ATOM 652 CD1 LEU A 241 8.835 3.375 1.200 1.00 1.00 C ATOM 653 CD2 LEU A 241 7.165 1.704 0.393 1.00 1.00 C ATOM 0 H LEU A 241 10.328 5.122 -0.061 1.00 1.00 H new ATOM 0 HA LEU A 241 10.905 2.937 -0.684 1.00 1.00 H new ATOM 0 HB2 LEU A 241 7.998 3.392 -1.482 1.00 1.00 H new ATOM 0 HB3 LEU A 241 8.752 1.865 -1.896 1.00 1.00 H new ATOM 0 HG LEU A 241 9.299 1.414 0.447 1.00 1.00 H new ATOM 0 HD11 LEU A 241 8.691 3.028 2.223 1.00 1.00 H new ATOM 0 HD12 LEU A 241 9.854 3.744 1.082 1.00 1.00 H new ATOM 0 HD13 LEU A 241 8.131 4.179 0.987 1.00 1.00 H new ATOM 0 HD21 LEU A 241 7.017 1.355 1.415 1.00 1.00 H new ATOM 0 HD22 LEU A 241 6.463 2.510 0.179 1.00 1.00 H new ATOM 0 HD23 LEU A 241 6.994 0.880 -0.300 1.00 1.00 H new ATOM 665 N ILE A 242 10.785 2.156 -3.298 1.00 1.00 N ATOM 666 CA ILE A 242 11.287 2.020 -4.689 1.00 1.00 C ATOM 667 C ILE A 242 10.134 1.702 -5.644 1.00 1.00 C ATOM 668 O ILE A 242 9.166 1.069 -5.275 1.00 1.00 O ATOM 669 CB ILE A 242 12.280 0.859 -4.640 1.00 1.00 C ATOM 670 CG1 ILE A 242 13.256 1.076 -3.480 1.00 1.00 C ATOM 671 CG2 ILE A 242 13.059 0.796 -5.955 1.00 1.00 C ATOM 672 CD1 ILE A 242 13.040 -0.007 -2.421 1.00 1.00 C ATOM 0 H ILE A 242 10.551 1.278 -2.834 1.00 1.00 H new ATOM 0 HA ILE A 242 11.750 2.938 -5.050 1.00 1.00 H new ATOM 0 HB ILE A 242 11.740 -0.076 -4.494 1.00 1.00 H new ATOM 0 HG12 ILE A 242 14.283 1.044 -3.844 1.00 1.00 H new ATOM 0 HG13 ILE A 242 13.104 2.063 -3.043 1.00 1.00 H new ATOM 0 HG21 ILE A 242 13.767 -0.032 -5.919 1.00 1.00 H new ATOM 0 HG22 ILE A 242 12.365 0.645 -6.782 1.00 1.00 H new ATOM 0 HG23 ILE A 242 13.601 1.730 -6.102 1.00 1.00 H new ATOM 0 HD11 ILE A 242 13.735 0.148 -1.595 1.00 1.00 H new ATOM 0 HD12 ILE A 242 12.017 0.047 -2.049 1.00 1.00 H new ATOM 0 HD13 ILE A 242 13.214 -0.988 -2.863 1.00 1.00 H new ATOM 684 N ARG A 243 10.232 2.134 -6.872 1.00 1.00 N ATOM 685 CA ARG A 243 9.143 1.852 -7.849 1.00 1.00 C ATOM 686 C ARG A 243 8.987 0.342 -8.049 1.00 1.00 C ATOM 687 O ARG A 243 8.203 -0.045 -8.899 1.00 1.00 O ATOM 688 CB ARG A 243 9.588 2.519 -9.146 1.00 1.00 C ATOM 689 CG ARG A 243 8.476 3.435 -9.658 1.00 1.00 C ATOM 690 CD ARG A 243 9.015 4.314 -10.787 1.00 1.00 C ATOM 691 NE ARG A 243 9.075 5.684 -10.210 1.00 1.00 N ATOM 692 CZ ARG A 243 8.012 6.440 -10.212 1.00 1.00 C ATOM 693 NH1 ARG A 243 7.677 7.091 -11.292 1.00 1.00 N ATOM 694 NH2 ARG A 243 7.283 6.545 -9.135 1.00 1.00 N ATOM 695 OXT ARG A 243 9.654 -0.400 -7.349 1.00 0.00 O ATOM 0 H ARG A 243 11.018 2.669 -7.240 1.00 1.00 H new ATOM 0 HA ARG A 243 8.179 2.229 -7.508 1.00 1.00 H new ATOM 0 HB2 ARG A 243 10.498 3.094 -8.977 1.00 1.00 H new ATOM 0 HB3 ARG A 243 9.823 1.762 -9.894 1.00 1.00 H new ATOM 0 HG2 ARG A 243 7.636 2.839 -10.016 1.00 1.00 H new ATOM 0 HG3 ARG A 243 8.101 4.058 -8.846 1.00 1.00 H new ATOM 0 HD2 ARG A 243 10.000 3.979 -11.113 1.00 1.00 H new ATOM 0 HD3 ARG A 243 8.362 4.281 -11.659 1.00 1.00 H new ATOM 0 HE ARG A 243 9.948 6.032 -9.813 1.00 1.00 H new ATOM 0 HH11 ARG A 243 8.246 7.009 -12.134 1.00 1.00 H new ATOM 0 HH12 ARG A 243 6.846 7.682 -11.294 1.00 1.00 H new ATOM 0 HH21 ARG A 243 7.544 6.036 -8.291 1.00 1.00 H new ATOM 0 HH22 ARG A 243 6.452 7.136 -9.137 1.00 1.00 H new TER 709 ARG A 243 HETATM 710 ZN ZN A 244 3.532 -2.098 1.979 1.00 1.00 ZN