USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=8 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 -7:sc= -0.818 USER MOD Set 1.2: A 222 HIS : no HE2:sc= -10.9! C(o=-12!,f=-14!) USER MOD Single : A 199 SER OG : rot 68:sc= 1.12 USER MOD Single : A 206 ASN : amide:sc= -7.16! C(o=-7.2!,f=-14!) USER MOD Single : A 210 THR OG1 : rot -40:sc= -3.72! USER MOD Single : A 212 THR OG1 : rot -119:sc= -1.46! USER MOD Single : A 223 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 ASN : amide:sc= -0.147 K(o=-0.15,f=-2.8!) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 232 HIS :FLIP no HE2:sc= -1.63 F(o=-2.9!,f=-1.6) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.2) USER MOD Single : A 237 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.6!) USER MOD Single : A 238 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 198 6.732 -15.995 -3.363 1.00 1.00 N ATOM 2 CA GLY A 198 7.085 -14.999 -4.414 1.00 1.00 C ATOM 3 C GLY A 198 5.948 -13.987 -4.563 1.00 1.00 C ATOM 4 O GLY A 198 6.120 -12.807 -4.329 1.00 1.00 O ATOM 0 HA2 GLY A 198 8.009 -14.486 -4.148 1.00 1.00 H new ATOM 0 HA3 GLY A 198 7.263 -15.504 -5.363 1.00 1.00 H new ATOM 10 N SER A 199 4.786 -14.436 -4.952 1.00 1.00 N ATOM 11 CA SER A 199 3.643 -13.493 -5.116 1.00 1.00 C ATOM 12 C SER A 199 2.311 -14.224 -4.912 1.00 1.00 C ATOM 13 O SER A 199 1.337 -13.957 -5.585 1.00 1.00 O ATOM 14 CB SER A 199 3.756 -12.981 -6.550 1.00 1.00 C ATOM 15 OG SER A 199 2.946 -13.783 -7.401 1.00 1.00 O ATOM 0 H SER A 199 4.579 -15.412 -5.163 1.00 1.00 H new ATOM 0 HA SER A 199 3.672 -12.683 -4.387 1.00 1.00 H new ATOM 0 HB2 SER A 199 3.439 -11.940 -6.602 1.00 1.00 H new ATOM 0 HB3 SER A 199 4.794 -13.015 -6.880 1.00 1.00 H new ATOM 0 HG SER A 199 2.001 -13.636 -7.187 1.00 1.00 H new ATOM 21 N GLU A 200 2.263 -15.142 -3.984 1.00 1.00 N ATOM 22 CA GLU A 200 0.992 -15.883 -3.738 1.00 1.00 C ATOM 23 C GLU A 200 -0.158 -14.896 -3.525 1.00 1.00 C ATOM 24 O GLU A 200 -0.909 -14.595 -4.433 1.00 1.00 O ATOM 25 CB GLU A 200 1.245 -16.693 -2.465 1.00 1.00 C ATOM 26 CG GLU A 200 -0.046 -17.397 -2.042 1.00 1.00 C ATOM 27 CD GLU A 200 -0.339 -17.087 -0.573 1.00 1.00 C ATOM 28 OE1 GLU A 200 0.539 -16.553 0.085 1.00 1.00 O ATOM 29 OE2 GLU A 200 -1.434 -17.388 -0.130 1.00 1.00 O ATOM 0 H GLU A 200 3.046 -15.410 -3.388 1.00 1.00 H new ATOM 0 HA GLU A 200 0.715 -16.521 -4.578 1.00 1.00 H new ATOM 0 HB2 GLU A 200 2.032 -17.427 -2.639 1.00 1.00 H new ATOM 0 HB3 GLU A 200 1.592 -16.037 -1.667 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -0.875 -17.065 -2.667 1.00 1.00 H new ATOM 0 HG3 GLU A 200 0.050 -18.473 -2.185 1.00 1.00 H new ATOM 36 N ALA A 201 -0.300 -14.387 -2.333 1.00 1.00 N ATOM 37 CA ALA A 201 -1.400 -13.417 -2.057 1.00 1.00 C ATOM 38 C ALA A 201 -1.169 -12.121 -2.842 1.00 1.00 C ATOM 39 O ALA A 201 -0.396 -12.080 -3.778 1.00 1.00 O ATOM 40 CB ALA A 201 -1.330 -13.153 -0.552 1.00 1.00 C ATOM 0 H ALA A 201 0.299 -14.601 -1.535 1.00 1.00 H new ATOM 0 HA ALA A 201 -2.375 -13.801 -2.357 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -2.110 -12.446 -0.270 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.475 -14.088 -0.011 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -0.355 -12.736 -0.301 1.00 1.00 H new ATOM 46 N ARG A 202 -1.839 -11.064 -2.470 1.00 1.00 N ATOM 47 CA ARG A 202 -1.662 -9.773 -3.196 1.00 1.00 C ATOM 48 C ARG A 202 -0.276 -9.185 -2.912 1.00 1.00 C ATOM 49 O ARG A 202 0.351 -9.500 -1.922 1.00 1.00 O ATOM 50 CB ARG A 202 -2.754 -8.856 -2.643 1.00 1.00 C ATOM 51 CG ARG A 202 -3.789 -8.579 -3.734 1.00 1.00 C ATOM 52 CD ARG A 202 -5.196 -8.628 -3.133 1.00 1.00 C ATOM 53 NE ARG A 202 -6.061 -9.147 -4.228 1.00 1.00 N ATOM 54 CZ ARG A 202 -5.837 -10.330 -4.731 1.00 1.00 C ATOM 55 NH1 ARG A 202 -6.106 -11.396 -4.032 1.00 1.00 N ATOM 56 NH2 ARG A 202 -5.343 -10.444 -5.934 1.00 1.00 N ATOM 0 H ARG A 202 -2.501 -11.038 -1.695 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.737 -9.896 -4.276 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.233 -9.322 -1.782 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.316 -7.920 -2.296 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -3.608 -7.602 -4.181 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -3.698 -9.316 -4.531 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -5.230 -9.279 -2.260 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -5.521 -7.640 -2.807 1.00 1.00 H new ATOM 0 HE ARG A 202 -6.829 -8.578 -4.585 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -6.492 -11.306 -3.092 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -5.931 -12.321 -4.425 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -5.132 -9.609 -6.480 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -5.168 -11.368 -6.328 1.00 1.00 H new ATOM 70 N GLU A 203 0.201 -8.328 -3.776 1.00 1.00 N ATOM 71 CA GLU A 203 1.543 -7.714 -3.559 1.00 1.00 C ATOM 72 C GLU A 203 1.399 -6.203 -3.351 1.00 1.00 C ATOM 73 O GLU A 203 0.949 -5.487 -4.224 1.00 1.00 O ATOM 74 CB GLU A 203 2.328 -8.006 -4.839 1.00 1.00 C ATOM 75 CG GLU A 203 3.665 -8.663 -4.486 1.00 1.00 C ATOM 76 CD GLU A 203 4.358 -9.137 -5.766 1.00 1.00 C ATOM 77 OE1 GLU A 203 4.188 -8.487 -6.784 1.00 1.00 O ATOM 78 OE2 GLU A 203 5.047 -10.142 -5.704 1.00 1.00 O ATOM 0 H GLU A 203 -0.281 -8.027 -4.623 1.00 1.00 H new ATOM 0 HA GLU A 203 2.044 -8.114 -2.677 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.750 -8.662 -5.490 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.500 -7.082 -5.390 1.00 1.00 H new ATOM 0 HG2 GLU A 203 4.302 -7.954 -3.957 1.00 1.00 H new ATOM 0 HG3 GLU A 203 3.501 -9.506 -3.815 1.00 1.00 H new ATOM 85 N CYS A 204 1.777 -5.711 -2.203 1.00 1.00 N ATOM 86 CA CYS A 204 1.660 -4.250 -1.945 1.00 1.00 C ATOM 87 C CYS A 204 2.250 -3.460 -3.114 1.00 1.00 C ATOM 88 O CYS A 204 3.408 -3.599 -3.452 1.00 1.00 O ATOM 89 CB CYS A 204 2.473 -4.015 -0.677 1.00 1.00 C ATOM 90 SG CYS A 204 2.351 -2.283 -0.180 1.00 1.00 S ATOM 0 H CYS A 204 2.162 -6.259 -1.433 1.00 1.00 H new ATOM 0 HA CYS A 204 0.625 -3.927 -1.835 1.00 1.00 H new ATOM 0 HB2 CYS A 204 2.108 -4.659 0.124 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.516 -4.280 -0.849 1.00 1.00 H new ATOM 95 N VAL A 205 1.458 -2.632 -3.731 1.00 1.00 N ATOM 96 CA VAL A 205 1.958 -1.825 -4.879 1.00 1.00 C ATOM 97 C VAL A 205 3.258 -1.097 -4.514 1.00 1.00 C ATOM 98 O VAL A 205 3.971 -0.621 -5.376 1.00 1.00 O ATOM 99 CB VAL A 205 0.848 -0.811 -5.152 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.720 0.134 -3.957 1.00 1.00 C ATOM 101 CG2 VAL A 205 1.192 0.000 -6.404 1.00 1.00 C ATOM 0 H VAL A 205 0.479 -2.477 -3.489 1.00 1.00 H new ATOM 0 HA VAL A 205 2.182 -2.448 -5.745 1.00 1.00 H new ATOM 0 HB VAL A 205 -0.094 -1.337 -5.307 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.071 0.859 -4.149 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.477 -0.441 -3.063 1.00 1.00 H new ATOM 0 HG13 VAL A 205 1.663 0.659 -3.805 1.00 1.00 H new ATOM 0 HG21 VAL A 205 0.400 0.723 -6.598 1.00 1.00 H new ATOM 0 HG22 VAL A 205 2.134 0.526 -6.249 1.00 1.00 H new ATOM 0 HG23 VAL A 205 1.288 -0.671 -7.257 1.00 1.00 H new ATOM 111 N ASN A 206 3.558 -0.972 -3.249 1.00 1.00 N ATOM 112 CA ASN A 206 4.794 -0.236 -2.855 1.00 1.00 C ATOM 113 C ASN A 206 5.894 -1.169 -2.326 1.00 1.00 C ATOM 114 O ASN A 206 7.009 -1.138 -2.803 1.00 1.00 O ATOM 115 CB ASN A 206 4.336 0.719 -1.755 1.00 1.00 C ATOM 116 CG ASN A 206 3.805 2.003 -2.394 1.00 1.00 C ATOM 117 OD1 ASN A 206 2.746 2.481 -2.040 1.00 1.00 O ATOM 118 ND2 ASN A 206 4.501 2.587 -3.330 1.00 1.00 N ATOM 0 H ASN A 206 3.006 -1.344 -2.477 1.00 1.00 H new ATOM 0 HA ASN A 206 5.236 0.273 -3.712 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.559 0.251 -1.151 1.00 1.00 H new ATOM 0 HB3 ASN A 206 5.166 0.947 -1.086 1.00 1.00 H new ATOM 0 HD21 ASN A 206 4.156 3.443 -3.763 1.00 1.00 H new ATOM 0 HD22 ASN A 206 5.391 2.187 -3.629 1.00 1.00 H new ATOM 125 N CYS A 207 5.620 -1.970 -1.327 1.00 1.00 N ATOM 126 CA CYS A 207 6.696 -2.838 -0.784 1.00 1.00 C ATOM 127 C CYS A 207 6.421 -4.332 -1.043 1.00 1.00 C ATOM 128 O CYS A 207 7.164 -5.190 -0.606 1.00 1.00 O ATOM 129 CB CYS A 207 6.736 -2.491 0.708 1.00 1.00 C ATOM 130 SG CYS A 207 5.466 -3.396 1.625 1.00 1.00 S ATOM 0 H CYS A 207 4.711 -2.057 -0.873 1.00 1.00 H new ATOM 0 HA CYS A 207 7.658 -2.664 -1.267 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.720 -2.729 1.113 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.588 -1.419 0.839 1.00 1.00 H new ATOM 135 N GLY A 208 5.382 -4.650 -1.771 1.00 1.00 N ATOM 136 CA GLY A 208 5.088 -6.088 -2.082 1.00 1.00 C ATOM 137 C GLY A 208 4.559 -6.811 -0.842 1.00 1.00 C ATOM 138 O GLY A 208 4.298 -7.997 -0.863 1.00 1.00 O ATOM 0 H GLY A 208 4.723 -3.979 -2.165 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.354 -6.149 -2.886 1.00 1.00 H new ATOM 0 HA3 GLY A 208 5.993 -6.581 -2.438 1.00 1.00 H new ATOM 142 N ALA A 209 4.398 -6.103 0.232 1.00 1.00 N ATOM 143 CA ALA A 209 3.885 -6.726 1.484 1.00 1.00 C ATOM 144 C ALA A 209 2.651 -7.580 1.192 1.00 1.00 C ATOM 145 O ALA A 209 1.575 -7.068 0.953 1.00 1.00 O ATOM 146 CB ALA A 209 3.511 -5.542 2.369 1.00 1.00 C ATOM 0 H ALA A 209 4.601 -5.106 0.301 1.00 1.00 H new ATOM 0 HA ALA A 209 4.618 -7.384 1.951 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.121 -5.907 3.319 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.395 -4.930 2.550 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.750 -4.942 1.871 1.00 1.00 H new ATOM 152 N THR A 210 2.792 -8.875 1.214 1.00 1.00 N ATOM 153 CA THR A 210 1.621 -9.751 0.944 1.00 1.00 C ATOM 154 C THR A 210 1.205 -10.488 2.220 1.00 1.00 C ATOM 155 O THR A 210 0.646 -11.566 2.173 1.00 1.00 O ATOM 156 CB THR A 210 2.094 -10.734 -0.127 1.00 1.00 C ATOM 157 OG1 THR A 210 1.071 -11.686 -0.383 1.00 1.00 O ATOM 158 CG2 THR A 210 3.350 -11.450 0.358 1.00 1.00 C ATOM 0 H THR A 210 3.666 -9.364 1.407 1.00 1.00 H new ATOM 0 HA THR A 210 0.750 -9.186 0.612 1.00 1.00 H new ATOM 0 HB THR A 210 2.319 -10.191 -1.045 1.00 1.00 H new ATOM 0 HG1 THR A 210 0.645 -11.943 0.461 1.00 1.00 H new ATOM 0 HG21 THR A 210 3.687 -12.151 -0.406 1.00 1.00 H new ATOM 0 HG22 THR A 210 4.135 -10.718 0.551 1.00 1.00 H new ATOM 0 HG23 THR A 210 3.127 -11.993 1.276 1.00 1.00 H new ATOM 166 N ALA A 211 1.472 -9.909 3.359 1.00 1.00 N ATOM 167 CA ALA A 211 1.089 -10.568 4.642 1.00 1.00 C ATOM 168 C ALA A 211 0.263 -9.606 5.500 1.00 1.00 C ATOM 169 O ALA A 211 0.151 -9.766 6.700 1.00 1.00 O ATOM 170 CB ALA A 211 2.413 -10.894 5.334 1.00 1.00 C ATOM 0 H ALA A 211 1.939 -9.008 3.457 1.00 1.00 H new ATOM 0 HA ALA A 211 0.482 -11.459 4.483 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.214 -11.382 6.288 1.00 1.00 H new ATOM 0 HB2 ALA A 211 3.000 -11.559 4.701 1.00 1.00 H new ATOM 0 HB3 ALA A 211 2.970 -9.973 5.507 1.00 1.00 H new ATOM 176 N THR A 212 -0.312 -8.603 4.894 1.00 1.00 N ATOM 177 CA THR A 212 -1.126 -7.626 5.675 1.00 1.00 C ATOM 178 C THR A 212 -2.501 -8.215 6.000 1.00 1.00 C ATOM 179 O THR A 212 -3.018 -9.033 5.265 1.00 1.00 O ATOM 180 CB THR A 212 -1.266 -6.405 4.763 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.868 -5.342 5.488 1.00 1.00 O ATOM 182 CG2 THR A 212 -2.140 -6.761 3.559 1.00 1.00 C ATOM 0 H THR A 212 -0.254 -8.417 3.893 1.00 1.00 H new ATOM 0 HA THR A 212 -0.660 -7.372 6.627 1.00 1.00 H new ATOM 0 HB THR A 212 -0.280 -6.097 4.415 1.00 1.00 H new ATOM 0 HG1 THR A 212 -2.715 -5.094 5.062 1.00 1.00 H new ATOM 0 HG21 THR A 212 -2.239 -5.890 2.911 1.00 1.00 H new ATOM 0 HG22 THR A 212 -1.678 -7.577 3.003 1.00 1.00 H new ATOM 0 HG23 THR A 212 -3.127 -7.070 3.904 1.00 1.00 H new ATOM 190 N PRO A 213 -3.044 -7.773 7.101 1.00 1.00 N ATOM 191 CA PRO A 213 -4.374 -8.256 7.548 1.00 1.00 C ATOM 192 C PRO A 213 -5.489 -7.637 6.697 1.00 1.00 C ATOM 193 O PRO A 213 -6.657 -7.892 6.910 1.00 1.00 O ATOM 194 CB PRO A 213 -4.460 -7.775 8.995 1.00 1.00 C ATOM 195 CG PRO A 213 -3.541 -6.596 9.071 1.00 1.00 C ATOM 196 CD PRO A 213 -2.470 -6.791 8.027 1.00 1.00 C ATOM 0 HA PRO A 213 -4.491 -9.336 7.454 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -5.481 -7.496 9.258 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -4.155 -8.558 9.689 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -4.088 -5.671 8.891 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -3.099 -6.517 10.064 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -2.234 -5.856 7.519 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -1.544 -7.156 8.470 1.00 1.00 H new ATOM 204 N LEU A 214 -5.137 -6.826 5.735 1.00 1.00 N ATOM 205 CA LEU A 214 -6.177 -6.196 4.870 1.00 1.00 C ATOM 206 C LEU A 214 -5.511 -5.381 3.757 1.00 1.00 C ATOM 207 O LEU A 214 -4.472 -4.783 3.952 1.00 1.00 O ATOM 208 CB LEU A 214 -6.971 -5.284 5.807 1.00 1.00 C ATOM 209 CG LEU A 214 -8.111 -4.619 5.034 1.00 1.00 C ATOM 210 CD1 LEU A 214 -9.453 -5.131 5.560 1.00 1.00 C ATOM 211 CD2 LEU A 214 -8.036 -3.103 5.222 1.00 1.00 C ATOM 0 H LEU A 214 -4.175 -6.573 5.511 1.00 1.00 H new ATOM 0 HA LEU A 214 -6.816 -6.933 4.384 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -7.372 -5.862 6.640 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -6.315 -4.524 6.233 1.00 1.00 H new ATOM 0 HG LEU A 214 -8.021 -4.861 3.975 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -10.265 -4.657 5.009 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -9.507 -6.212 5.428 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -9.544 -4.890 6.619 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -8.848 -2.628 4.672 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -8.126 -2.863 6.281 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -7.080 -2.737 4.847 1.00 1.00 H new ATOM 223 N TRP A 215 -6.094 -5.360 2.586 1.00 1.00 N ATOM 224 CA TRP A 215 -5.485 -4.594 1.465 1.00 1.00 C ATOM 225 C TRP A 215 -6.283 -3.321 1.175 1.00 1.00 C ATOM 226 O TRP A 215 -5.864 -2.227 1.499 1.00 1.00 O ATOM 227 CB TRP A 215 -5.546 -5.543 0.273 1.00 1.00 C ATOM 228 CG TRP A 215 -4.590 -6.668 0.486 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.879 -7.817 1.134 1.00 1.00 C ATOM 230 CD2 TRP A 215 -3.197 -6.771 0.068 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.756 -8.621 1.141 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.693 -8.021 0.497 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.330 -5.912 -0.635 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.379 -8.407 0.241 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -1.006 -6.296 -0.894 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.530 -7.541 -0.458 1.00 1.00 C ATOM 0 H TRP A 215 -6.965 -5.841 2.361 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.468 -4.274 1.693 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.558 -5.929 0.153 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.298 -5.009 -0.644 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.833 -8.067 1.575 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.717 -9.546 1.570 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.687 -4.952 -0.977 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -1.018 -9.367 0.579 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.349 -5.629 -1.432 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.490 -7.831 -0.661 1.00 1.00 H new ATOM 247 N ARG A 216 -7.423 -3.451 0.555 1.00 1.00 N ATOM 248 CA ARG A 216 -8.236 -2.244 0.230 1.00 1.00 C ATOM 249 C ARG A 216 -7.503 -1.399 -0.815 1.00 1.00 C ATOM 250 O ARG A 216 -6.346 -1.063 -0.652 1.00 1.00 O ATOM 251 CB ARG A 216 -8.367 -1.479 1.547 1.00 1.00 C ATOM 252 CG ARG A 216 -9.665 -0.668 1.538 1.00 1.00 C ATOM 253 CD ARG A 216 -10.798 -1.510 2.127 1.00 1.00 C ATOM 254 NE ARG A 216 -11.325 -0.703 3.261 1.00 1.00 N ATOM 255 CZ ARG A 216 -12.315 -1.157 3.984 1.00 1.00 C ATOM 256 NH1 ARG A 216 -12.715 -2.390 3.843 1.00 1.00 N ATOM 257 NH2 ARG A 216 -12.903 -0.373 4.846 1.00 1.00 N ATOM 0 H ARG A 216 -7.827 -4.340 0.259 1.00 1.00 H new ATOM 0 HA ARG A 216 -9.213 -2.497 -0.183 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -8.366 -2.175 2.386 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -7.512 -0.816 1.682 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -9.539 0.247 2.117 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -9.912 -0.369 0.519 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -11.573 -1.703 1.386 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -10.434 -2.479 2.467 1.00 1.00 H new ATOM 0 HE ARG A 216 -10.913 0.205 3.474 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -12.255 -3.001 3.168 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -13.488 -2.743 4.408 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -12.590 0.592 4.954 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -13.676 -0.725 5.411 1.00 1.00 H new ATOM 271 N ARG A 217 -8.157 -1.063 -1.892 1.00 1.00 N ATOM 272 CA ARG A 217 -7.485 -0.256 -2.946 1.00 1.00 C ATOM 273 C ARG A 217 -7.673 1.238 -2.683 1.00 1.00 C ATOM 274 O ARG A 217 -8.495 1.644 -1.885 1.00 1.00 O ATOM 275 CB ARG A 217 -8.175 -0.656 -4.250 1.00 1.00 C ATOM 276 CG ARG A 217 -8.219 -2.183 -4.368 1.00 1.00 C ATOM 277 CD ARG A 217 -9.378 -2.589 -5.280 1.00 1.00 C ATOM 278 NE ARG A 217 -8.750 -2.866 -6.602 1.00 1.00 N ATOM 279 CZ ARG A 217 -9.495 -3.163 -7.630 1.00 1.00 C ATOM 280 NH1 ARG A 217 -10.740 -3.519 -7.452 1.00 1.00 N ATOM 281 NH2 ARG A 217 -8.999 -3.108 -8.835 1.00 1.00 N ATOM 0 H ARG A 217 -9.127 -1.312 -2.087 1.00 1.00 H new ATOM 0 HA ARG A 217 -6.411 -0.437 -2.975 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -9.187 -0.251 -4.276 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.640 -0.232 -5.100 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -7.277 -2.555 -4.771 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -8.343 -2.632 -3.382 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -9.893 -3.469 -4.896 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -10.119 -1.793 -5.354 1.00 1.00 H new ATOM 0 HE ARG A 217 -7.736 -2.823 -6.703 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -11.128 -3.564 -6.510 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -11.324 -3.752 -8.255 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -8.027 -2.832 -8.974 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -9.583 -3.341 -9.638 1.00 1.00 H new ATOM 295 N ASP A 218 -6.915 2.059 -3.356 1.00 1.00 N ATOM 296 CA ASP A 218 -7.037 3.528 -3.162 1.00 1.00 C ATOM 297 C ASP A 218 -7.490 4.188 -4.468 1.00 1.00 C ATOM 298 O ASP A 218 -8.004 3.537 -5.355 1.00 1.00 O ATOM 299 CB ASP A 218 -5.631 3.997 -2.784 1.00 1.00 C ATOM 300 CG ASP A 218 -4.594 3.308 -3.676 1.00 1.00 C ATOM 301 OD1 ASP A 218 -4.951 2.923 -4.778 1.00 1.00 O ATOM 302 OD2 ASP A 218 -3.462 3.177 -3.241 1.00 1.00 O ATOM 0 H ASP A 218 -6.212 1.771 -4.037 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.770 3.788 -2.398 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -5.557 5.079 -2.895 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -5.432 3.769 -1.737 1.00 1.00 H new ATOM 307 N ARG A 219 -7.301 5.472 -4.596 1.00 1.00 N ATOM 308 CA ARG A 219 -7.720 6.163 -5.848 1.00 1.00 C ATOM 309 C ARG A 219 -7.042 5.522 -7.059 1.00 1.00 C ATOM 310 O ARG A 219 -7.591 5.478 -8.141 1.00 1.00 O ATOM 311 CB ARG A 219 -7.244 7.604 -5.688 1.00 1.00 C ATOM 312 CG ARG A 219 -8.450 8.544 -5.669 1.00 1.00 C ATOM 313 CD ARG A 219 -8.734 8.979 -4.229 1.00 1.00 C ATOM 314 NE ARG A 219 -8.007 10.269 -4.068 1.00 1.00 N ATOM 315 CZ ARG A 219 -8.214 11.011 -3.012 1.00 1.00 C ATOM 316 NH1 ARG A 219 -9.047 10.617 -2.086 1.00 1.00 N ATOM 317 NH2 ARG A 219 -7.587 12.147 -2.882 1.00 1.00 N ATOM 0 H ARG A 219 -6.875 6.072 -3.889 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.796 6.099 -6.007 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -6.674 7.709 -4.765 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -6.576 7.870 -6.507 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -8.254 9.417 -6.292 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -9.322 8.042 -6.088 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -9.803 9.104 -4.058 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -8.381 8.235 -3.515 1.00 1.00 H new ATOM 0 HE ARG A 219 -7.347 10.574 -4.783 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -9.538 9.728 -2.186 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -9.207 11.198 -1.263 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -6.936 12.456 -3.604 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -7.748 12.727 -2.058 1.00 1.00 H new ATOM 331 N THR A 220 -5.844 5.033 -6.886 1.00 1.00 N ATOM 332 CA THR A 220 -5.128 4.408 -8.031 1.00 1.00 C ATOM 333 C THR A 220 -5.447 2.913 -8.105 1.00 1.00 C ATOM 334 O THR A 220 -4.800 2.163 -8.810 1.00 1.00 O ATOM 335 CB THR A 220 -3.645 4.631 -7.735 1.00 1.00 C ATOM 336 OG1 THR A 220 -3.281 3.907 -6.568 1.00 1.00 O ATOM 337 CG2 THR A 220 -3.392 6.124 -7.513 1.00 1.00 C ATOM 0 H THR A 220 -5.333 5.040 -6.003 1.00 1.00 H new ATOM 0 HA THR A 220 -5.422 4.838 -8.989 1.00 1.00 H new ATOM 0 HB THR A 220 -3.047 4.282 -8.577 1.00 1.00 H new ATOM 0 HG1 THR A 220 -4.083 3.520 -6.159 1.00 1.00 H new ATOM 0 HG21 THR A 220 -2.335 6.286 -7.302 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.672 6.678 -8.409 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.988 6.473 -6.670 1.00 1.00 H new ATOM 345 N GLY A 221 -6.443 2.472 -7.384 1.00 1.00 N ATOM 346 CA GLY A 221 -6.806 1.028 -7.416 1.00 1.00 C ATOM 347 C GLY A 221 -5.578 0.182 -7.075 1.00 1.00 C ATOM 348 O GLY A 221 -5.382 -0.889 -7.615 1.00 1.00 O ATOM 0 H GLY A 221 -7.021 3.051 -6.774 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.607 0.828 -6.704 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -7.183 0.759 -8.403 1.00 1.00 H new ATOM 352 N HIS A 222 -4.750 0.649 -6.183 1.00 1.00 N ATOM 353 CA HIS A 222 -3.536 -0.134 -5.811 1.00 1.00 C ATOM 354 C HIS A 222 -3.855 -1.075 -4.647 1.00 1.00 C ATOM 355 O HIS A 222 -4.999 -1.270 -4.293 1.00 1.00 O ATOM 356 CB HIS A 222 -2.504 0.911 -5.397 1.00 1.00 C ATOM 357 CG HIS A 222 -1.931 1.556 -6.629 1.00 1.00 C ATOM 358 ND1 HIS A 222 -2.571 1.497 -7.856 1.00 1.00 N ATOM 359 CD2 HIS A 222 -0.779 2.273 -6.841 1.00 1.00 C ATOM 360 CE1 HIS A 222 -1.809 2.161 -8.745 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.704 2.654 -8.178 1.00 1.00 N ATOM 0 H HIS A 222 -4.860 1.538 -5.695 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.174 -0.756 -6.630 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.967 1.664 -4.760 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.710 0.444 -4.814 1.00 1.00 H new ATOM 0 HD1 HIS A 222 -3.459 1.034 -8.051 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -0.043 2.506 -6.086 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -2.060 2.281 -9.789 1.00 1.00 H new ATOM 369 N TYR A 223 -2.856 -1.669 -4.054 1.00 1.00 N ATOM 370 CA TYR A 223 -3.115 -2.600 -2.924 1.00 1.00 C ATOM 371 C TYR A 223 -2.047 -2.447 -1.839 1.00 1.00 C ATOM 372 O TYR A 223 -1.372 -3.396 -1.488 1.00 1.00 O ATOM 373 CB TYR A 223 -3.034 -3.990 -3.549 1.00 1.00 C ATOM 374 CG TYR A 223 -4.401 -4.415 -4.030 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.507 -4.315 -3.177 1.00 1.00 C ATOM 376 CD2 TYR A 223 -4.561 -4.915 -5.328 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.771 -4.715 -3.622 1.00 1.00 C ATOM 378 CE2 TYR A 223 -5.826 -5.312 -5.773 1.00 1.00 C ATOM 379 CZ TYR A 223 -6.931 -5.214 -4.920 1.00 1.00 C ATOM 380 OH TYR A 223 -8.179 -5.608 -5.359 1.00 1.00 O ATOM 0 H TYR A 223 -1.874 -1.549 -4.304 1.00 1.00 H new ATOM 0 HA TYR A 223 -4.076 -2.408 -2.446 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.331 -3.984 -4.382 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.657 -4.706 -2.819 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -5.384 -3.929 -2.176 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -3.708 -4.994 -5.985 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -7.624 -4.639 -2.964 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -5.950 -5.694 -6.775 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.115 -5.928 -6.283 1.00 1.00 H new ATOM 390 N LEU A 224 -1.885 -1.272 -1.295 1.00 1.00 N ATOM 391 CA LEU A 224 -0.857 -1.094 -0.229 1.00 1.00 C ATOM 392 C LEU A 224 -1.059 -2.152 0.857 1.00 1.00 C ATOM 393 O LEU A 224 -2.087 -2.799 0.921 1.00 1.00 O ATOM 394 CB LEU A 224 -1.094 0.306 0.343 1.00 1.00 C ATOM 395 CG LEU A 224 -0.506 1.357 -0.600 1.00 1.00 C ATOM 396 CD1 LEU A 224 -0.866 2.755 -0.096 1.00 1.00 C ATOM 397 CD2 LEU A 224 1.017 1.209 -0.640 1.00 1.00 C ATOM 0 H LEU A 224 -2.414 -0.435 -1.539 1.00 1.00 H new ATOM 0 HA LEU A 224 0.158 -1.202 -0.613 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -2.162 0.479 0.475 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -0.634 0.389 1.328 1.00 1.00 H new ATOM 0 HG LEU A 224 -0.914 1.215 -1.601 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -0.447 3.503 -0.768 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -1.950 2.862 -0.064 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.458 2.897 0.905 1.00 1.00 H new ATOM 0 HD21 LEU A 224 1.438 1.957 -1.312 1.00 1.00 H new ATOM 0 HD22 LEU A 224 1.423 1.351 0.362 1.00 1.00 H new ATOM 0 HD23 LEU A 224 1.276 0.213 -0.998 1.00 1.00 H new ATOM 409 N CYS A 225 -0.093 -2.336 1.712 1.00 1.00 N ATOM 410 CA CYS A 225 -0.241 -3.352 2.792 1.00 1.00 C ATOM 411 C CYS A 225 -0.681 -2.673 4.090 1.00 1.00 C ATOM 412 O CYS A 225 -0.209 -2.996 5.163 1.00 1.00 O ATOM 413 CB CYS A 225 1.146 -3.976 2.948 1.00 1.00 C ATOM 414 SG CYS A 225 2.307 -2.725 3.549 1.00 1.00 S ATOM 0 H CYS A 225 0.792 -1.828 1.711 1.00 1.00 H new ATOM 0 HA CYS A 225 -0.994 -4.104 2.555 1.00 1.00 H new ATOM 0 HB2 CYS A 225 1.104 -4.813 3.645 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.487 -4.374 1.992 1.00 1.00 H new ATOM 419 N ASN A 226 -1.585 -1.732 3.998 1.00 1.00 N ATOM 420 CA ASN A 226 -2.069 -1.022 5.222 1.00 1.00 C ATOM 421 C ASN A 226 -0.990 -0.074 5.759 1.00 1.00 C ATOM 422 O ASN A 226 -1.233 1.097 5.973 1.00 1.00 O ATOM 423 CB ASN A 226 -2.365 -2.127 6.239 1.00 1.00 C ATOM 424 CG ASN A 226 -3.431 -1.644 7.226 1.00 1.00 C ATOM 425 OD1 ASN A 226 -4.023 -0.601 7.035 1.00 1.00 O ATOM 426 ND2 ASN A 226 -3.700 -2.364 8.281 1.00 1.00 N ATOM 0 H ASN A 226 -2.011 -1.423 3.124 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.948 -0.412 5.015 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -2.710 -3.025 5.726 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -1.454 -2.396 6.774 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -4.408 -2.051 8.945 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -3.203 -3.240 8.441 1.00 1.00 H new ATOM 433 N ALA A 227 0.197 -0.569 5.984 1.00 1.00 N ATOM 434 CA ALA A 227 1.284 0.303 6.517 1.00 1.00 C ATOM 435 C ALA A 227 1.702 1.353 5.482 1.00 1.00 C ATOM 436 O ALA A 227 1.715 2.537 5.754 1.00 1.00 O ATOM 437 CB ALA A 227 2.443 -0.649 6.811 1.00 1.00 C ATOM 0 H ALA A 227 0.462 -1.541 5.822 1.00 1.00 H new ATOM 0 HA ALA A 227 0.965 0.853 7.402 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.286 -0.084 7.208 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.127 -1.392 7.543 1.00 1.00 H new ATOM 0 HB3 ALA A 227 2.744 -1.151 5.891 1.00 1.00 H new ATOM 443 N CYS A 228 2.055 0.927 4.303 1.00 1.00 N ATOM 444 CA CYS A 228 2.485 1.900 3.255 1.00 1.00 C ATOM 445 C CYS A 228 1.430 2.994 3.060 1.00 1.00 C ATOM 446 O CYS A 228 1.750 4.133 2.785 1.00 1.00 O ATOM 447 CB CYS A 228 2.627 1.077 1.982 1.00 1.00 C ATOM 448 SG CYS A 228 4.173 0.134 2.026 1.00 1.00 S ATOM 0 H CYS A 228 2.065 -0.052 4.017 1.00 1.00 H new ATOM 0 HA CYS A 228 3.413 2.402 3.530 1.00 1.00 H new ATOM 0 HB2 CYS A 228 1.780 0.399 1.881 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.616 1.733 1.111 1.00 1.00 H new ATOM 453 N GLY A 229 0.177 2.658 3.190 1.00 1.00 N ATOM 454 CA GLY A 229 -0.893 3.679 2.998 1.00 1.00 C ATOM 455 C GLY A 229 -0.910 4.654 4.178 1.00 1.00 C ATOM 456 O GLY A 229 -1.334 5.784 4.053 1.00 1.00 O ATOM 0 H GLY A 229 -0.153 1.721 3.421 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.724 4.224 2.069 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.862 3.188 2.908 1.00 1.00 H new ATOM 460 N LEU A 230 -0.455 4.228 5.325 1.00 1.00 N ATOM 461 CA LEU A 230 -0.450 5.136 6.509 1.00 1.00 C ATOM 462 C LEU A 230 0.093 6.515 6.127 1.00 1.00 C ATOM 463 O LEU A 230 -0.573 7.520 6.283 1.00 1.00 O ATOM 464 CB LEU A 230 0.469 4.463 7.522 1.00 1.00 C ATOM 465 CG LEU A 230 -0.122 4.608 8.927 1.00 1.00 C ATOM 466 CD1 LEU A 230 0.797 3.926 9.940 1.00 1.00 C ATOM 467 CD2 LEU A 230 -0.251 6.093 9.275 1.00 1.00 C ATOM 0 H LEU A 230 -0.087 3.292 5.494 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.453 5.293 6.907 1.00 1.00 H new ATOM 0 HB2 LEU A 230 0.590 3.408 7.274 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.460 4.915 7.485 1.00 1.00 H new ATOM 0 HG LEU A 230 -1.106 4.140 8.957 1.00 1.00 H new ATOM 0 HD11 LEU A 230 0.376 4.029 10.940 1.00 1.00 H new ATOM 0 HD12 LEU A 230 0.890 2.868 9.693 1.00 1.00 H new ATOM 0 HD13 LEU A 230 1.781 4.393 9.910 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -0.672 6.197 10.275 1.00 1.00 H new ATOM 0 HD22 LEU A 230 0.733 6.561 9.245 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -0.906 6.580 8.553 1.00 1.00 H new ATOM 479 N TYR A 231 1.298 6.575 5.630 1.00 1.00 N ATOM 480 CA TYR A 231 1.881 7.893 5.242 1.00 1.00 C ATOM 481 C TYR A 231 0.898 8.670 4.361 1.00 1.00 C ATOM 482 O TYR A 231 0.614 9.826 4.600 1.00 1.00 O ATOM 483 CB TYR A 231 3.147 7.549 4.458 1.00 1.00 C ATOM 484 CG TYR A 231 3.951 8.805 4.218 1.00 1.00 C ATOM 485 CD1 TYR A 231 3.549 9.715 3.231 1.00 1.00 C ATOM 486 CD2 TYR A 231 5.097 9.060 4.981 1.00 1.00 C ATOM 487 CE1 TYR A 231 4.296 10.878 3.007 1.00 1.00 C ATOM 488 CE2 TYR A 231 5.841 10.224 4.758 1.00 1.00 C ATOM 489 CZ TYR A 231 5.440 11.133 3.770 1.00 1.00 C ATOM 490 OH TYR A 231 6.174 12.281 3.550 1.00 1.00 O ATOM 0 H TYR A 231 1.905 5.770 5.475 1.00 1.00 H new ATOM 0 HA TYR A 231 2.094 8.521 6.107 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.743 6.823 5.011 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.884 7.086 3.507 1.00 1.00 H new ATOM 0 HD1 TYR A 231 2.664 9.520 2.644 1.00 1.00 H new ATOM 0 HD2 TYR A 231 5.407 8.358 5.741 1.00 1.00 H new ATOM 0 HE1 TYR A 231 3.989 11.578 2.245 1.00 1.00 H new ATOM 0 HE2 TYR A 231 6.724 10.422 5.347 1.00 1.00 H new ATOM 0 HH TYR A 231 6.936 12.305 4.165 1.00 1.00 H new ATOM 500 N HIS A 232 0.379 8.041 3.343 1.00 1.00 N ATOM 501 CA HIS A 232 -0.584 8.739 2.442 1.00 1.00 C ATOM 502 C HIS A 232 -1.767 9.292 3.245 1.00 1.00 C ATOM 503 O HIS A 232 -2.411 10.240 2.845 1.00 1.00 O ATOM 504 CB HIS A 232 -1.053 7.664 1.463 1.00 1.00 C ATOM 505 CG HIS A 232 -1.907 8.291 0.396 1.00 1.00 C ATOM 506 ND1 HIS A 232 -1.588 9.004 -0.733 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -3.290 8.212 0.416 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -2.753 9.366 -1.402 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -3.749 8.863 -0.669 1.00 1.00 N flip ATOM 0 H HIS A 232 0.580 7.072 3.095 1.00 1.00 H new ATOM 0 HA HIS A 232 -0.130 9.589 1.932 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -0.193 7.170 1.011 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -1.619 6.898 1.993 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -0.641 9.233 -1.035 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -3.890 7.718 1.166 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -2.834 9.932 -2.318 1.00 1.00 H new ATOM 517 N LYS A 233 -2.061 8.703 4.372 1.00 1.00 N ATOM 518 CA LYS A 233 -3.207 9.193 5.192 1.00 1.00 C ATOM 519 C LYS A 233 -2.799 10.423 6.011 1.00 1.00 C ATOM 520 O LYS A 233 -3.605 11.287 6.290 1.00 1.00 O ATOM 521 CB LYS A 233 -3.559 8.030 6.121 1.00 1.00 C ATOM 522 CG LYS A 233 -3.630 6.732 5.313 1.00 1.00 C ATOM 523 CD LYS A 233 -5.046 6.158 5.392 1.00 1.00 C ATOM 524 CE LYS A 233 -5.149 4.929 4.485 1.00 1.00 C ATOM 525 NZ LYS A 233 -6.598 4.584 4.467 1.00 1.00 N ATOM 0 H LYS A 233 -1.559 7.905 4.761 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.051 9.494 4.571 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -2.810 7.940 6.908 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.515 8.218 6.610 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -3.361 6.923 4.274 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -2.911 6.010 5.701 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -5.283 5.885 6.420 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -5.773 6.911 5.087 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -4.783 5.147 3.482 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -4.551 4.103 4.870 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -6.749 3.750 3.865 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -6.917 4.375 5.434 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -7.141 5.386 4.089 1.00 1.00 H new ATOM 539 N MET A 234 -1.557 10.505 6.405 1.00 1.00 N ATOM 540 CA MET A 234 -1.111 11.678 7.213 1.00 1.00 C ATOM 541 C MET A 234 -0.394 12.699 6.329 1.00 1.00 C ATOM 542 O MET A 234 -0.414 13.885 6.594 1.00 1.00 O ATOM 543 CB MET A 234 -0.146 11.099 8.250 1.00 1.00 C ATOM 544 CG MET A 234 -0.939 10.545 9.435 1.00 1.00 C ATOM 545 SD MET A 234 -0.656 11.585 10.889 1.00 1.00 S ATOM 546 CE MET A 234 -0.533 10.250 12.103 1.00 1.00 C ATOM 0 H MET A 234 -0.834 9.814 6.204 1.00 1.00 H new ATOM 0 HA MET A 234 -1.950 12.198 7.676 1.00 1.00 H new ATOM 0 HB2 MET A 234 0.456 10.309 7.801 1.00 1.00 H new ATOM 0 HB3 MET A 234 0.544 11.871 8.590 1.00 1.00 H new ATOM 0 HG2 MET A 234 -2.002 10.519 9.195 1.00 1.00 H new ATOM 0 HG3 MET A 234 -0.634 9.520 9.643 1.00 1.00 H new ATOM 0 HE1 MET A 234 -0.355 10.673 13.092 1.00 1.00 H new ATOM 0 HE2 MET A 234 -1.463 9.681 12.113 1.00 1.00 H new ATOM 0 HE3 MET A 234 0.293 9.591 11.836 1.00 1.00 H new ATOM 556 N ASN A 235 0.241 12.251 5.283 1.00 1.00 N ATOM 557 CA ASN A 235 0.962 13.200 4.386 1.00 1.00 C ATOM 558 C ASN A 235 0.195 13.384 3.076 1.00 1.00 C ATOM 559 O ASN A 235 0.263 14.420 2.444 1.00 1.00 O ATOM 560 CB ASN A 235 2.318 12.542 4.126 1.00 1.00 C ATOM 561 CG ASN A 235 3.305 12.957 5.218 1.00 1.00 C ATOM 562 OD1 ASN A 235 3.798 14.067 5.217 1.00 1.00 O ATOM 563 ND2 ASN A 235 3.619 12.104 6.156 1.00 1.00 N ATOM 0 H ASN A 235 0.293 11.270 5.009 1.00 1.00 H new ATOM 0 HA ASN A 235 1.065 14.190 4.831 1.00 1.00 H new ATOM 0 HB2 ASN A 235 2.211 11.457 4.111 1.00 1.00 H new ATOM 0 HB3 ASN A 235 2.696 12.838 3.148 1.00 1.00 H new ATOM 0 HD21 ASN A 235 4.278 12.370 6.888 1.00 1.00 H new ATOM 0 HD22 ASN A 235 3.205 11.172 6.157 1.00 1.00 H new ATOM 570 N GLY A 236 -0.536 12.387 2.662 1.00 1.00 N ATOM 571 CA GLY A 236 -1.306 12.503 1.398 1.00 1.00 C ATOM 572 C GLY A 236 -0.440 12.051 0.221 1.00 1.00 C ATOM 573 O GLY A 236 -0.926 11.489 -0.739 1.00 1.00 O ATOM 0 H GLY A 236 -0.632 11.495 3.148 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -2.208 11.893 1.453 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -1.627 13.534 1.250 1.00 1.00 H new ATOM 577 N GLN A 237 0.842 12.286 0.289 1.00 1.00 N ATOM 578 CA GLN A 237 1.734 11.863 -0.829 1.00 1.00 C ATOM 579 C GLN A 237 2.032 10.368 -0.725 1.00 1.00 C ATOM 580 O GLN A 237 1.569 9.693 0.173 1.00 1.00 O ATOM 581 CB GLN A 237 3.019 12.672 -0.647 1.00 1.00 C ATOM 582 CG GLN A 237 2.768 14.128 -1.040 1.00 1.00 C ATOM 583 CD GLN A 237 3.895 14.609 -1.958 1.00 1.00 C ATOM 584 OE1 GLN A 237 4.988 14.079 -1.925 1.00 1.00 O ATOM 585 NE2 GLN A 237 3.674 15.597 -2.781 1.00 1.00 N ATOM 0 H GLN A 237 1.310 12.751 1.067 1.00 1.00 H new ATOM 0 HA GLN A 237 1.279 12.036 -1.804 1.00 1.00 H new ATOM 0 HB2 GLN A 237 3.352 12.617 0.389 1.00 1.00 H new ATOM 0 HB3 GLN A 237 3.816 12.251 -1.261 1.00 1.00 H new ATOM 0 HG2 GLN A 237 1.807 14.219 -1.547 1.00 1.00 H new ATOM 0 HG3 GLN A 237 2.718 14.753 -0.149 1.00 1.00 H new ATOM 0 HE21 GLN A 237 2.757 16.042 -2.809 1.00 1.00 H new ATOM 0 HE22 GLN A 237 4.419 15.924 -3.397 1.00 1.00 H new ATOM 594 N ASN A 238 2.808 9.845 -1.634 1.00 1.00 N ATOM 595 CA ASN A 238 3.141 8.396 -1.582 1.00 1.00 C ATOM 596 C ASN A 238 4.274 8.158 -0.580 1.00 1.00 C ATOM 597 O ASN A 238 4.669 9.049 0.145 1.00 1.00 O ATOM 598 CB ASN A 238 3.595 8.046 -2.998 1.00 1.00 C ATOM 599 CG ASN A 238 2.432 8.244 -3.971 1.00 1.00 C ATOM 600 OD1 ASN A 238 1.319 7.845 -3.695 1.00 1.00 O ATOM 601 ND2 ASN A 238 2.643 8.852 -5.106 1.00 1.00 N ATOM 0 H ASN A 238 3.225 10.359 -2.410 1.00 1.00 H new ATOM 0 HA ASN A 238 2.297 7.784 -1.263 1.00 1.00 H new ATOM 0 HB2 ASN A 238 4.436 8.676 -3.287 1.00 1.00 H new ATOM 0 HB3 ASN A 238 3.942 7.013 -3.035 1.00 1.00 H new ATOM 0 HD21 ASN A 238 1.873 8.992 -5.761 1.00 1.00 H new ATOM 0 HD22 ASN A 238 3.578 9.188 -5.339 1.00 1.00 H new ATOM 608 N ARG A 239 4.803 6.968 -0.537 1.00 1.00 N ATOM 609 CA ARG A 239 5.911 6.685 0.416 1.00 1.00 C ATOM 610 C ARG A 239 7.226 6.513 -0.344 1.00 1.00 C ATOM 611 O ARG A 239 7.231 6.220 -1.524 1.00 1.00 O ATOM 612 CB ARG A 239 5.518 5.380 1.109 1.00 1.00 C ATOM 613 CG ARG A 239 5.195 5.658 2.578 1.00 1.00 C ATOM 614 CD ARG A 239 5.115 4.337 3.344 1.00 1.00 C ATOM 615 NE ARG A 239 4.056 4.550 4.368 1.00 1.00 N ATOM 616 CZ ARG A 239 4.378 4.658 5.629 1.00 1.00 C ATOM 617 NH1 ARG A 239 5.280 5.527 5.999 1.00 1.00 N ATOM 618 NH2 ARG A 239 3.799 3.900 6.519 1.00 1.00 N ATOM 0 H ARG A 239 4.517 6.181 -1.119 1.00 1.00 H new ATOM 0 HA ARG A 239 6.058 7.495 1.130 1.00 1.00 H new ATOM 0 HB2 ARG A 239 4.653 4.939 0.613 1.00 1.00 H new ATOM 0 HB3 ARG A 239 6.331 4.658 1.035 1.00 1.00 H new ATOM 0 HG2 ARG A 239 5.962 6.298 3.015 1.00 1.00 H new ATOM 0 HG3 ARG A 239 4.249 6.194 2.658 1.00 1.00 H new ATOM 0 HD2 ARG A 239 4.862 3.510 2.680 1.00 1.00 H new ATOM 0 HD3 ARG A 239 6.070 4.092 3.809 1.00 1.00 H new ATOM 0 HE ARG A 239 3.078 4.612 4.085 1.00 1.00 H new ATOM 0 HH11 ARG A 239 5.732 6.120 5.303 1.00 1.00 H new ATOM 0 HH12 ARG A 239 5.532 5.612 6.984 1.00 1.00 H new ATOM 0 HH21 ARG A 239 3.094 3.222 6.230 1.00 1.00 H new ATOM 0 HH22 ARG A 239 4.051 3.985 7.504 1.00 1.00 H new ATOM 632 N PRO A 240 8.305 6.700 0.365 1.00 1.00 N ATOM 633 CA PRO A 240 9.651 6.561 -0.243 1.00 1.00 C ATOM 634 C PRO A 240 9.951 5.093 -0.557 1.00 1.00 C ATOM 635 O PRO A 240 9.933 4.678 -1.698 1.00 1.00 O ATOM 636 CB PRO A 240 10.587 7.105 0.832 1.00 1.00 C ATOM 637 CG PRO A 240 9.839 6.958 2.120 1.00 1.00 C ATOM 638 CD PRO A 240 8.372 7.052 1.789 1.00 1.00 C ATOM 0 HA PRO A 240 9.753 7.091 -1.190 1.00 1.00 H new ATOM 0 HB2 PRO A 240 11.524 6.548 0.856 1.00 1.00 H new ATOM 0 HB3 PRO A 240 10.841 8.148 0.641 1.00 1.00 H new ATOM 0 HG2 PRO A 240 10.068 6.003 2.592 1.00 1.00 H new ATOM 0 HG3 PRO A 240 10.126 7.739 2.824 1.00 1.00 H new ATOM 0 HD2 PRO A 240 7.781 6.367 2.397 1.00 1.00 H new ATOM 0 HD3 PRO A 240 7.985 8.055 1.971 1.00 1.00 H new ATOM 646 N LEU A 241 10.224 4.310 0.446 1.00 1.00 N ATOM 647 CA LEU A 241 10.523 2.865 0.216 1.00 1.00 C ATOM 648 C LEU A 241 11.803 2.717 -0.612 1.00 1.00 C ATOM 649 O LEU A 241 12.677 3.559 -0.577 1.00 1.00 O ATOM 650 CB LEU A 241 9.319 2.315 -0.559 1.00 1.00 C ATOM 651 CG LEU A 241 8.017 2.745 0.122 1.00 1.00 C ATOM 652 CD1 LEU A 241 6.952 3.017 -0.941 1.00 1.00 C ATOM 653 CD2 LEU A 241 7.535 1.627 1.048 1.00 1.00 C ATOM 0 H LEU A 241 10.254 4.607 1.421 1.00 1.00 H new ATOM 0 HA LEU A 241 10.680 2.328 1.151 1.00 1.00 H new ATOM 0 HB2 LEU A 241 9.340 2.680 -1.586 1.00 1.00 H new ATOM 0 HB3 LEU A 241 9.372 1.227 -0.606 1.00 1.00 H new ATOM 0 HG LEU A 241 8.192 3.651 0.703 1.00 1.00 H new ATOM 0 HD11 LEU A 241 6.025 3.323 -0.457 1.00 1.00 H new ATOM 0 HD12 LEU A 241 7.295 3.811 -1.604 1.00 1.00 H new ATOM 0 HD13 LEU A 241 6.777 2.111 -1.521 1.00 1.00 H new ATOM 0 HD21 LEU A 241 6.608 1.931 1.534 1.00 1.00 H new ATOM 0 HD22 LEU A 241 7.360 0.722 0.466 1.00 1.00 H new ATOM 0 HD23 LEU A 241 8.294 1.429 1.805 1.00 1.00 H new ATOM 665 N ILE A 242 11.921 1.649 -1.354 1.00 1.00 N ATOM 666 CA ILE A 242 13.141 1.445 -2.176 1.00 1.00 C ATOM 667 C ILE A 242 12.957 2.075 -3.559 1.00 1.00 C ATOM 668 O ILE A 242 11.869 2.107 -4.098 1.00 1.00 O ATOM 669 CB ILE A 242 13.293 -0.072 -2.294 1.00 1.00 C ATOM 670 CG1 ILE A 242 13.198 -0.702 -0.901 1.00 1.00 C ATOM 671 CG2 ILE A 242 14.653 -0.404 -2.910 1.00 1.00 C ATOM 672 CD1 ILE A 242 12.180 -1.842 -0.923 1.00 1.00 C ATOM 0 H ILE A 242 11.222 0.909 -1.424 1.00 1.00 H new ATOM 0 HA ILE A 242 14.021 1.908 -1.730 1.00 1.00 H new ATOM 0 HB ILE A 242 12.501 -0.468 -2.929 1.00 1.00 H new ATOM 0 HG12 ILE A 242 14.174 -1.078 -0.593 1.00 1.00 H new ATOM 0 HG13 ILE A 242 12.901 0.050 -0.170 1.00 1.00 H new ATOM 0 HG21 ILE A 242 14.760 -1.485 -2.994 1.00 1.00 H new ATOM 0 HG22 ILE A 242 14.723 0.045 -3.901 1.00 1.00 H new ATOM 0 HG23 ILE A 242 15.446 -0.009 -2.275 1.00 1.00 H new ATOM 0 HD11 ILE A 242 12.113 -2.289 0.069 1.00 1.00 H new ATOM 0 HD12 ILE A 242 11.204 -1.453 -1.212 1.00 1.00 H new ATOM 0 HD13 ILE A 242 12.496 -2.598 -1.642 1.00 1.00 H new ATOM 684 N ARG A 243 14.013 2.577 -4.137 1.00 1.00 N ATOM 685 CA ARG A 243 13.896 3.206 -5.484 1.00 1.00 C ATOM 686 C ARG A 243 14.672 2.390 -6.520 1.00 1.00 C ATOM 687 O ARG A 243 15.822 2.716 -6.762 1.00 1.00 O ATOM 688 CB ARG A 243 14.507 4.594 -5.325 1.00 1.00 C ATOM 689 CG ARG A 243 13.449 5.657 -5.627 1.00 1.00 C ATOM 690 CD ARG A 243 13.570 6.099 -7.088 1.00 1.00 C ATOM 691 NE ARG A 243 13.554 7.587 -7.043 1.00 1.00 N ATOM 692 CZ ARG A 243 13.770 8.275 -8.132 1.00 1.00 C ATOM 693 NH1 ARG A 243 13.210 7.910 -9.253 1.00 1.00 N ATOM 694 NH2 ARG A 243 14.541 9.326 -8.099 1.00 1.00 N ATOM 695 OXT ARG A 243 14.103 1.452 -7.054 1.00 0.00 O ATOM 0 H ARG A 243 14.951 2.579 -3.736 1.00 1.00 H new ATOM 0 HA ARG A 243 12.863 3.253 -5.830 1.00 1.00 H new ATOM 0 HB2 ARG A 243 14.886 4.722 -4.311 1.00 1.00 H new ATOM 0 HB3 ARG A 243 15.355 4.709 -6.000 1.00 1.00 H new ATOM 0 HG2 ARG A 243 12.453 5.257 -5.438 1.00 1.00 H new ATOM 0 HG3 ARG A 243 13.579 6.513 -4.965 1.00 1.00 H new ATOM 0 HD2 ARG A 243 14.491 5.728 -7.538 1.00 1.00 H new ATOM 0 HD3 ARG A 243 12.745 5.713 -7.687 1.00 1.00 H new ATOM 0 HE ARG A 243 13.374 8.069 -6.162 1.00 1.00 H new ATOM 0 HH11 ARG A 243 12.605 7.089 -9.277 1.00 1.00 H new ATOM 0 HH12 ARG A 243 13.377 8.446 -10.105 1.00 1.00 H new ATOM 0 HH21 ARG A 243 14.976 9.612 -7.222 1.00 1.00 H new ATOM 0 HH22 ARG A 243 14.709 9.862 -8.950 1.00 1.00 H new TER 709 ARG A 243 HETATM 710 ZN ZN A 244 3.583 -2.066 1.751 1.00 1.00 ZN