USER MOD reduce.3.24.130724 H: found=0, std=0, add=363, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 369 hydrogens (2 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 302 ASN : amide:sc= -0.0648 K(o=1.1,f=0.44) USER MOD Set 1.2: A 303 ASN : amide:sc= 1.15 K(o=1.1,f=-0.11) USER MOD Set 2.1: A 291 THR OG1 : rot 99:sc= 0.0401 USER MOD Set 2.2: A 293 SER OG : rot 180:sc= -0.808 USER MOD Single : A 290 SER OG : rot 120:sc= -0.258 USER MOD Single : A 297 TYR OH : rot 180:sc= 0.127 USER MOD Single : A 301 HIS : no HE2:sc= -11.4! C(o=-11!,f=-6.4!) USER MOD Single : A 305 THR OG1 : rot 180:sc= 0 USER MOD Single : A 306 THR OG1 : rot 45:sc= 0.0145 USER MOD Single : A 307 GLN : amide:sc= -1.25 K(o=-1.2,f=-6!) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 279 -12.319 5.887 -5.056 1.00 15.00 N ATOM 2 CA LEU A 279 -12.371 6.807 -3.896 1.00 15.00 C ATOM 3 C LEU A 279 -12.936 6.091 -2.675 1.00 15.00 C ATOM 4 O LEU A 279 -13.773 5.197 -2.803 1.00 15.00 O ATOM 5 CB LEU A 279 -13.179 8.094 -4.233 1.00 15.00 C ATOM 6 CG LEU A 279 -14.704 7.985 -4.503 1.00 15.00 C ATOM 7 CD1 LEU A 279 -15.044 6.897 -5.511 1.00 15.00 C ATOM 8 CD2 LEU A 279 -15.494 7.798 -3.213 1.00 15.00 C ATOM 0 HA LEU A 279 -11.354 7.121 -3.660 1.00 15.00 H new ATOM 0 HB2 LEU A 279 -13.042 8.793 -3.408 1.00 15.00 H new ATOM 0 HB3 LEU A 279 -12.722 8.547 -5.113 1.00 15.00 H new ATOM 0 HG LEU A 279 -15.002 8.935 -4.946 1.00 15.00 H new ATOM 0 HD11 LEU A 279 -16.123 6.865 -5.662 1.00 15.00 H new ATOM 0 HD12 LEU A 279 -14.551 7.113 -6.459 1.00 15.00 H new ATOM 0 HD13 LEU A 279 -14.701 5.933 -5.135 1.00 15.00 H new ATOM 0 HD21 LEU A 279 -16.557 7.726 -3.444 1.00 15.00 H new ATOM 0 HD22 LEU A 279 -15.168 6.884 -2.716 1.00 15.00 H new ATOM 0 HD23 LEU A 279 -15.323 8.650 -2.555 1.00 15.00 H new ATOM 22 N GLY A 280 -12.480 6.485 -1.493 1.00 15.00 N ATOM 23 CA GLY A 280 -12.961 5.870 -0.277 1.00 15.00 C ATOM 24 C GLY A 280 -12.231 6.373 0.949 1.00 15.00 C ATOM 25 O GLY A 280 -11.443 7.317 0.853 1.00 15.00 O ATOM 0 H GLY A 280 -11.786 7.220 -1.357 1.00 15.00 H new ATOM 0 HA2 GLY A 280 -14.027 6.069 -0.169 1.00 15.00 H new ATOM 0 HA3 GLY A 280 -12.844 4.789 -0.349 1.00 15.00 H new ATOM 29 N PRO A 281 -12.460 5.751 2.111 1.00 15.00 N ATOM 30 CA PRO A 281 -11.871 6.180 3.371 1.00 15.00 C ATOM 31 C PRO A 281 -10.524 5.515 3.643 1.00 15.00 C ATOM 32 O PRO A 281 -10.356 4.310 3.447 1.00 15.00 O ATOM 33 CB PRO A 281 -12.914 5.723 4.388 1.00 15.00 C ATOM 34 CG PRO A 281 -13.536 4.500 3.792 1.00 15.00 C ATOM 35 CD PRO A 281 -13.340 4.583 2.295 1.00 15.00 C ATOM 0 HA PRO A 281 -11.658 7.249 3.393 1.00 15.00 H new ATOM 0 HB2 PRO A 281 -12.454 5.501 5.351 1.00 15.00 H new ATOM 0 HB3 PRO A 281 -13.660 6.499 4.562 1.00 15.00 H new ATOM 0 HG2 PRO A 281 -13.071 3.598 4.191 1.00 15.00 H new ATOM 0 HG3 PRO A 281 -14.596 4.448 4.039 1.00 15.00 H new ATOM 0 HD2 PRO A 281 -12.884 3.674 1.902 1.00 15.00 H new ATOM 0 HD3 PRO A 281 -14.289 4.714 1.775 1.00 15.00 H new ATOM 43 N LEU A 282 -9.565 6.306 4.093 1.00 15.00 N ATOM 44 CA LEU A 282 -8.234 5.796 4.375 1.00 15.00 C ATOM 45 C LEU A 282 -7.972 5.807 5.876 1.00 15.00 C ATOM 46 O LEU A 282 -7.995 6.863 6.510 1.00 15.00 O ATOM 47 CB LEU A 282 -7.182 6.636 3.648 1.00 15.00 C ATOM 48 CG LEU A 282 -5.762 6.058 3.630 1.00 15.00 C ATOM 49 CD1 LEU A 282 -5.720 4.756 2.844 1.00 15.00 C ATOM 50 CD2 LEU A 282 -4.792 7.064 3.039 1.00 15.00 C ATOM 0 H LEU A 282 -9.683 7.303 4.271 1.00 15.00 H new ATOM 0 HA LEU A 282 -8.170 4.768 4.017 1.00 15.00 H new ATOM 0 HB2 LEU A 282 -7.508 6.780 2.618 1.00 15.00 H new ATOM 0 HB3 LEU A 282 -7.147 7.621 4.112 1.00 15.00 H new ATOM 0 HG LEU A 282 -5.464 5.846 4.657 1.00 15.00 H new ATOM 0 HD11 LEU A 282 -4.703 4.364 2.844 1.00 15.00 H new ATOM 0 HD12 LEU A 282 -6.389 4.030 3.306 1.00 15.00 H new ATOM 0 HD13 LEU A 282 -6.038 4.940 1.818 1.00 15.00 H new ATOM 0 HD21 LEU A 282 -3.788 6.640 3.032 1.00 15.00 H new ATOM 0 HD22 LEU A 282 -5.092 7.303 2.019 1.00 15.00 H new ATOM 0 HD23 LEU A 282 -4.799 7.973 3.641 1.00 15.00 H new ATOM 62 N PRO A 283 -7.755 4.625 6.465 1.00 15.00 N ATOM 63 CA PRO A 283 -7.474 4.485 7.898 1.00 15.00 C ATOM 64 C PRO A 283 -6.124 5.090 8.282 1.00 15.00 C ATOM 65 O PRO A 283 -5.138 4.939 7.557 1.00 15.00 O ATOM 66 CB PRO A 283 -7.464 2.964 8.122 1.00 15.00 C ATOM 67 CG PRO A 283 -8.110 2.384 6.910 1.00 15.00 C ATOM 68 CD PRO A 283 -7.781 3.321 5.789 1.00 15.00 C ATOM 0 HA PRO A 283 -8.209 5.009 8.509 1.00 15.00 H new ATOM 0 HB2 PRO A 283 -6.447 2.591 8.242 1.00 15.00 H new ATOM 0 HB3 PRO A 283 -8.011 2.696 9.026 1.00 15.00 H new ATOM 0 HG2 PRO A 283 -7.732 1.382 6.706 1.00 15.00 H new ATOM 0 HG3 PRO A 283 -9.188 2.297 7.044 1.00 15.00 H new ATOM 0 HD2 PRO A 283 -6.822 3.083 5.329 1.00 15.00 H new ATOM 0 HD3 PRO A 283 -8.531 3.288 4.999 1.00 15.00 H new ATOM 76 N PRO A 284 -6.065 5.783 9.430 1.00 15.00 N ATOM 77 CA PRO A 284 -4.826 6.390 9.925 1.00 15.00 C ATOM 78 C PRO A 284 -3.726 5.353 10.132 1.00 15.00 C ATOM 79 O PRO A 284 -3.890 4.405 10.901 1.00 15.00 O ATOM 80 CB PRO A 284 -5.232 7.019 11.265 1.00 15.00 C ATOM 81 CG PRO A 284 -6.519 6.364 11.633 1.00 15.00 C ATOM 82 CD PRO A 284 -7.196 6.026 10.338 1.00 15.00 C ATOM 0 HA PRO A 284 -4.416 7.111 9.218 1.00 15.00 H new ATOM 0 HB2 PRO A 284 -4.471 6.847 12.027 1.00 15.00 H new ATOM 0 HB3 PRO A 284 -5.352 8.098 11.172 1.00 15.00 H new ATOM 0 HG2 PRO A 284 -6.344 5.467 12.228 1.00 15.00 H new ATOM 0 HG3 PRO A 284 -7.138 7.030 12.235 1.00 15.00 H new ATOM 0 HD2 PRO A 284 -7.834 5.147 10.433 1.00 15.00 H new ATOM 0 HD3 PRO A 284 -7.828 6.842 9.987 1.00 15.00 H new ATOM 90 N GLY A 285 -2.610 5.538 9.440 1.00 15.00 N ATOM 91 CA GLY A 285 -1.528 4.575 9.498 1.00 15.00 C ATOM 92 C GLY A 285 -1.287 3.926 8.154 1.00 15.00 C ATOM 93 O GLY A 285 -0.269 3.266 7.943 1.00 15.00 O ATOM 0 H GLY A 285 -2.434 6.342 8.837 1.00 15.00 H new ATOM 0 HA2 GLY A 285 -0.617 5.071 9.832 1.00 15.00 H new ATOM 0 HA3 GLY A 285 -1.762 3.808 10.236 1.00 15.00 H new ATOM 97 N TRP A 286 -2.224 4.138 7.238 1.00 15.00 N ATOM 98 CA TRP A 286 -2.149 3.544 5.911 1.00 15.00 C ATOM 99 C TRP A 286 -1.410 4.442 4.944 1.00 15.00 C ATOM 100 O TRP A 286 -1.903 5.505 4.556 1.00 15.00 O ATOM 101 CB TRP A 286 -3.553 3.267 5.356 1.00 15.00 C ATOM 102 CG TRP A 286 -4.157 1.994 5.846 1.00 15.00 C ATOM 103 CD1 TRP A 286 -4.323 1.610 7.146 1.00 15.00 C ATOM 104 CD2 TRP A 286 -4.667 0.921 5.039 1.00 15.00 C ATOM 105 NE1 TRP A 286 -4.891 0.362 7.199 1.00 15.00 N ATOM 106 CE2 TRP A 286 -5.107 -0.084 5.924 1.00 15.00 C ATOM 107 CE3 TRP A 286 -4.793 0.703 3.654 1.00 15.00 C ATOM 108 CZ2 TRP A 286 -5.653 -1.285 5.477 1.00 15.00 C ATOM 109 CZ3 TRP A 286 -5.327 -0.494 3.226 1.00 15.00 C ATOM 110 CH2 TRP A 286 -5.748 -1.474 4.130 1.00 15.00 C ATOM 0 H TRP A 286 -3.048 4.720 7.392 1.00 15.00 H new ATOM 0 HA TRP A 286 -1.603 2.606 6.013 1.00 15.00 H new ATOM 0 HB2 TRP A 286 -4.209 4.095 5.624 1.00 15.00 H new ATOM 0 HB3 TRP A 286 -3.504 3.239 4.267 1.00 15.00 H new ATOM 0 HD1 TRP A 286 -4.048 2.202 8.006 1.00 15.00 H new ATOM 0 HE1 TRP A 286 -5.116 -0.151 8.052 1.00 15.00 H new ATOM 0 HE3 TRP A 286 -4.479 1.454 2.945 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 -5.989 -2.040 6.173 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 -5.422 -0.679 2.166 1.00 15.00 H new ATOM 0 HH2 TRP A 286 -6.157 -2.400 3.754 1.00 15.00 H new ATOM 121 N GLU A 287 -0.222 4.010 4.567 1.00 15.00 N ATOM 122 CA GLU A 287 0.507 4.644 3.495 1.00 15.00 C ATOM 123 C GLU A 287 0.296 3.847 2.220 1.00 15.00 C ATOM 124 O GLU A 287 0.618 2.662 2.152 1.00 15.00 O ATOM 125 CB GLU A 287 1.992 4.748 3.842 1.00 15.00 C ATOM 126 CG GLU A 287 2.417 6.138 4.295 1.00 15.00 C ATOM 127 CD GLU A 287 1.527 6.715 5.377 1.00 15.00 C ATOM 128 OE1 GLU A 287 1.694 6.344 6.556 1.00 15.00 O ATOM 129 OE2 GLU A 287 0.668 7.562 5.049 1.00 15.00 O1- ATOM 0 H GLU A 287 0.258 3.217 4.993 1.00 15.00 H new ATOM 0 HA GLU A 287 0.136 5.658 3.348 1.00 15.00 H new ATOM 0 HB2 GLU A 287 2.223 4.032 4.630 1.00 15.00 H new ATOM 0 HB3 GLU A 287 2.581 4.463 2.970 1.00 15.00 H new ATOM 0 HG2 GLU A 287 3.442 6.095 4.662 1.00 15.00 H new ATOM 0 HG3 GLU A 287 2.414 6.809 3.436 1.00 15.00 H new ATOM 136 N VAL A 288 -0.277 4.490 1.224 1.00 15.00 N ATOM 137 CA VAL A 288 -0.582 3.827 -0.029 1.00 15.00 C ATOM 138 C VAL A 288 0.598 3.948 -0.990 1.00 15.00 C ATOM 139 O VAL A 288 0.857 5.011 -1.554 1.00 15.00 O ATOM 140 CB VAL A 288 -1.889 4.393 -0.650 1.00 15.00 C ATOM 141 CG1 VAL A 288 -1.957 5.907 -0.502 1.00 15.00 C ATOM 142 CG2 VAL A 288 -2.028 3.996 -2.113 1.00 15.00 C ATOM 0 H VAL A 288 -0.542 5.474 1.257 1.00 15.00 H new ATOM 0 HA VAL A 288 -0.749 2.768 0.165 1.00 15.00 H new ATOM 0 HB VAL A 288 -2.723 3.956 -0.101 1.00 15.00 H new ATOM 0 HG11 VAL A 288 -2.882 6.275 -0.946 1.00 15.00 H new ATOM 0 HG12 VAL A 288 -1.932 6.171 0.555 1.00 15.00 H new ATOM 0 HG13 VAL A 288 -1.106 6.361 -1.010 1.00 15.00 H new ATOM 0 HG21 VAL A 288 -2.953 4.409 -2.516 1.00 15.00 H new ATOM 0 HG22 VAL A 288 -1.181 4.385 -2.678 1.00 15.00 H new ATOM 0 HG23 VAL A 288 -2.050 2.909 -2.195 1.00 15.00 H new ATOM 152 N ARG A 289 1.341 2.853 -1.143 1.00 15.00 N ATOM 153 CA ARG A 289 2.551 2.872 -1.944 1.00 15.00 C ATOM 154 C ARG A 289 2.241 2.327 -3.336 1.00 15.00 C ATOM 155 O ARG A 289 2.050 1.129 -3.524 1.00 15.00 O ATOM 156 CB ARG A 289 3.669 2.074 -1.233 1.00 15.00 C ATOM 157 CG ARG A 289 5.099 2.457 -1.630 1.00 15.00 C ATOM 158 CD ARG A 289 5.445 2.054 -3.056 1.00 15.00 C ATOM 159 NE ARG A 289 6.808 2.442 -3.443 1.00 15.00 N ATOM 160 CZ ARG A 289 7.789 1.570 -3.705 1.00 15.00 C ATOM 161 NH1 ARG A 289 7.629 0.279 -3.461 1.00 15.00 N1+ ATOM 162 NH2 ARG A 289 8.950 1.996 -4.179 1.00 15.00 N ATOM 0 H ARG A 289 1.123 1.949 -0.723 1.00 15.00 H new ATOM 0 HA ARG A 289 2.913 3.894 -2.059 1.00 15.00 H new ATOM 0 HB2 ARG A 289 3.560 2.207 -0.157 1.00 15.00 H new ATOM 0 HB3 ARG A 289 3.524 1.014 -1.439 1.00 15.00 H new ATOM 0 HG2 ARG A 289 5.225 3.534 -1.521 1.00 15.00 H new ATOM 0 HG3 ARG A 289 5.801 1.983 -0.943 1.00 15.00 H new ATOM 0 HD2 ARG A 289 5.336 0.974 -3.160 1.00 15.00 H new ATOM 0 HD3 ARG A 289 4.733 2.514 -3.741 1.00 15.00 H new ATOM 0 HE ARG A 289 7.020 3.437 -3.517 1.00 15.00 H new ATOM 0 HH11 ARG A 289 6.751 -0.061 -3.069 1.00 15.00 H new ATOM 0 HH12 ARG A 289 8.384 -0.376 -3.665 1.00 15.00 H new ATOM 0 HH21 ARG A 289 9.099 2.991 -4.345 1.00 15.00 H new ATOM 0 HH22 ARG A 289 9.696 1.329 -4.378 1.00 15.00 H new ATOM 176 N SER A 290 2.124 3.231 -4.292 1.00 15.00 N ATOM 177 CA SER A 290 1.806 2.871 -5.664 1.00 15.00 C ATOM 178 C SER A 290 3.083 2.634 -6.464 1.00 15.00 C ATOM 179 O SER A 290 4.070 3.349 -6.296 1.00 15.00 O ATOM 180 CB SER A 290 0.976 3.993 -6.284 1.00 15.00 C ATOM 181 OG SER A 290 1.498 5.258 -5.918 1.00 15.00 O ATOM 0 H SER A 290 2.246 4.232 -4.141 1.00 15.00 H new ATOM 0 HA SER A 290 1.232 1.945 -5.679 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.974 3.894 -7.370 1.00 15.00 H new ATOM 0 HB3 SER A 290 -0.060 3.912 -5.955 1.00 15.00 H new ATOM 0 HG SER A 290 1.760 5.749 -6.724 1.00 15.00 H new ATOM 187 N THR A 291 3.066 1.629 -7.333 1.00 15.00 N ATOM 188 CA THR A 291 4.250 1.295 -8.107 1.00 15.00 C ATOM 189 C THR A 291 3.933 1.144 -9.599 1.00 15.00 C ATOM 190 O THR A 291 2.828 0.722 -9.977 1.00 15.00 O ATOM 191 CB THR A 291 4.925 0.022 -7.560 1.00 15.00 C ATOM 192 OG1 THR A 291 3.978 -1.055 -7.466 1.00 15.00 O ATOM 193 CG2 THR A 291 5.523 0.287 -6.187 1.00 15.00 C ATOM 0 H THR A 291 2.254 1.039 -7.516 1.00 15.00 H new ATOM 0 HA THR A 291 4.948 2.126 -8.004 1.00 15.00 H new ATOM 0 HB THR A 291 5.719 -0.261 -8.252 1.00 15.00 H new ATOM 0 HG1 THR A 291 4.067 -1.638 -8.248 1.00 15.00 H new ATOM 0 HG21 THR A 291 5.996 -0.622 -5.815 1.00 15.00 H new ATOM 0 HG22 THR A 291 6.268 1.079 -6.261 1.00 15.00 H new ATOM 0 HG23 THR A 291 4.734 0.594 -5.500 1.00 15.00 H new ATOM 201 N VAL A 292 4.930 1.475 -10.432 1.00 15.00 N ATOM 202 CA VAL A 292 4.761 1.597 -11.886 1.00 15.00 C ATOM 203 C VAL A 292 4.436 0.257 -12.558 1.00 15.00 C ATOM 204 O VAL A 292 3.990 0.221 -13.706 1.00 15.00 O ATOM 205 CB VAL A 292 6.028 2.217 -12.531 1.00 15.00 C ATOM 206 CG1 VAL A 292 7.210 1.257 -12.461 1.00 15.00 C ATOM 207 CG2 VAL A 292 5.754 2.656 -13.967 1.00 15.00 C ATOM 0 H VAL A 292 5.880 1.666 -10.114 1.00 15.00 H new ATOM 0 HA VAL A 292 3.908 2.257 -12.047 1.00 15.00 H new ATOM 0 HB VAL A 292 6.293 3.105 -11.957 1.00 15.00 H new ATOM 0 HG11 VAL A 292 8.083 1.720 -12.921 1.00 15.00 H new ATOM 0 HG12 VAL A 292 7.429 1.025 -11.419 1.00 15.00 H new ATOM 0 HG13 VAL A 292 6.964 0.338 -12.993 1.00 15.00 H new ATOM 0 HG21 VAL A 292 6.659 3.087 -14.395 1.00 15.00 H new ATOM 0 HG22 VAL A 292 5.448 1.793 -14.559 1.00 15.00 H new ATOM 0 HG23 VAL A 292 4.959 3.402 -13.974 1.00 15.00 H new ATOM 217 N SER A 293 4.650 -0.839 -11.842 1.00 15.00 N ATOM 218 CA SER A 293 4.287 -2.161 -12.340 1.00 15.00 C ATOM 219 C SER A 293 2.780 -2.247 -12.604 1.00 15.00 C ATOM 220 O SER A 293 2.309 -3.155 -13.289 1.00 15.00 O ATOM 221 CB SER A 293 4.741 -3.255 -11.373 1.00 15.00 C ATOM 222 OG SER A 293 4.255 -3.024 -10.063 1.00 15.00 O ATOM 0 H SER A 293 5.073 -0.840 -10.914 1.00 15.00 H new ATOM 0 HA SER A 293 4.804 -2.320 -13.286 1.00 15.00 H new ATOM 0 HB2 SER A 293 4.389 -4.224 -11.727 1.00 15.00 H new ATOM 0 HB3 SER A 293 5.830 -3.298 -11.356 1.00 15.00 H new ATOM 0 HG SER A 293 4.561 -3.741 -9.469 1.00 15.00 H new ATOM 228 N GLY A 294 2.039 -1.282 -12.070 1.00 15.00 N ATOM 229 CA GLY A 294 0.600 -1.264 -12.221 1.00 15.00 C ATOM 230 C GLY A 294 -0.088 -1.997 -11.097 1.00 15.00 C ATOM 231 O GLY A 294 -0.996 -2.801 -11.320 1.00 15.00 O ATOM 0 H GLY A 294 2.417 -0.504 -11.529 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.250 -0.232 -12.250 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.328 -1.720 -13.173 1.00 15.00 H new ATOM 235 N ARG A 295 0.362 -1.729 -9.876 1.00 15.00 N ATOM 236 CA ARG A 295 -0.257 -2.318 -8.702 1.00 15.00 C ATOM 237 C ARG A 295 -0.155 -1.378 -7.507 1.00 15.00 C ATOM 238 O ARG A 295 0.900 -0.785 -7.247 1.00 15.00 O ATOM 239 CB ARG A 295 0.381 -3.672 -8.364 1.00 15.00 C ATOM 240 CG ARG A 295 1.828 -3.582 -7.910 1.00 15.00 C ATOM 241 CD ARG A 295 2.361 -4.937 -7.476 1.00 15.00 C ATOM 242 NE ARG A 295 3.733 -4.857 -6.980 1.00 15.00 N ATOM 243 CZ ARG A 295 4.458 -5.910 -6.603 1.00 15.00 C ATOM 244 NH1 ARG A 295 3.979 -7.142 -6.726 1.00 15.00 N1+ ATOM 245 NH2 ARG A 295 5.682 -5.729 -6.128 1.00 15.00 N ATOM 0 H ARG A 295 1.149 -1.111 -9.677 1.00 15.00 H new ATOM 0 HA ARG A 295 -1.311 -2.480 -8.929 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -0.205 -4.152 -7.580 1.00 15.00 H new ATOM 0 HB3 ARG A 295 0.327 -4.316 -9.242 1.00 15.00 H new ATOM 0 HG2 ARG A 295 2.442 -3.192 -8.722 1.00 15.00 H new ATOM 0 HG3 ARG A 295 1.908 -2.877 -7.083 1.00 15.00 H new ATOM 0 HD2 ARG A 295 1.718 -5.346 -6.697 1.00 15.00 H new ATOM 0 HD3 ARG A 295 2.320 -5.628 -8.318 1.00 15.00 H new ATOM 0 HE ARG A 295 4.164 -3.935 -6.918 1.00 15.00 H new ATOM 0 HH11 ARG A 295 3.047 -7.291 -7.112 1.00 15.00 H new ATOM 0 HH12 ARG A 295 4.543 -7.940 -6.434 1.00 15.00 H new ATOM 0 HH21 ARG A 295 6.065 -4.787 -6.052 1.00 15.00 H new ATOM 0 HH22 ARG A 295 6.240 -6.532 -5.838 1.00 15.00 H new ATOM 259 N ILE A 296 -1.262 -1.233 -6.802 1.00 15.00 N ATOM 260 CA ILE A 296 -1.274 -0.542 -5.528 1.00 15.00 C ATOM 261 C ILE A 296 -1.022 -1.578 -4.439 1.00 15.00 C ATOM 262 O ILE A 296 -1.526 -2.700 -4.524 1.00 15.00 O ATOM 263 CB ILE A 296 -2.620 0.208 -5.314 1.00 15.00 C ATOM 264 CG1 ILE A 296 -2.533 1.214 -4.153 1.00 15.00 C ATOM 265 CG2 ILE A 296 -3.769 -0.771 -5.091 1.00 15.00 C ATOM 266 CD1 ILE A 296 -2.741 0.615 -2.776 1.00 15.00 C ATOM 0 H ILE A 296 -2.172 -1.589 -7.095 1.00 15.00 H new ATOM 0 HA ILE A 296 -0.494 0.219 -5.498 1.00 15.00 H new ATOM 0 HB ILE A 296 -2.822 0.770 -6.226 1.00 15.00 H new ATOM 0 HG12 ILE A 296 -1.556 1.696 -4.180 1.00 15.00 H new ATOM 0 HG13 ILE A 296 -3.277 1.995 -4.311 1.00 15.00 H new ATOM 0 HG21 ILE A 296 -4.696 -0.217 -4.945 1.00 15.00 H new ATOM 0 HG22 ILE A 296 -3.868 -1.420 -5.961 1.00 15.00 H new ATOM 0 HG23 ILE A 296 -3.565 -1.376 -4.208 1.00 15.00 H new ATOM 0 HD11 ILE A 296 -2.662 1.399 -2.023 1.00 15.00 H new ATOM 0 HD12 ILE A 296 -3.730 0.159 -2.723 1.00 15.00 H new ATOM 0 HD13 ILE A 296 -1.981 -0.144 -2.591 1.00 15.00 H new ATOM 278 N TYR A 297 -0.223 -1.239 -3.442 1.00 15.00 N ATOM 279 CA TYR A 297 0.166 -2.238 -2.464 1.00 15.00 C ATOM 280 C TYR A 297 0.406 -1.535 -1.153 1.00 15.00 C ATOM 281 O TYR A 297 1.058 -0.482 -1.095 1.00 15.00 O ATOM 282 CB TYR A 297 1.380 -3.081 -2.923 1.00 15.00 C ATOM 283 CG TYR A 297 2.759 -2.578 -2.547 1.00 15.00 C ATOM 284 CD1 TYR A 297 3.318 -1.468 -3.153 1.00 15.00 C ATOM 285 CD2 TYR A 297 3.514 -3.245 -1.585 1.00 15.00 C ATOM 286 CE1 TYR A 297 4.581 -1.033 -2.808 1.00 15.00 C ATOM 287 CE2 TYR A 297 4.775 -2.814 -1.238 1.00 15.00 C ATOM 288 CZ TYR A 297 5.304 -1.709 -1.851 1.00 15.00 C ATOM 289 OH TYR A 297 6.558 -1.269 -1.501 1.00 15.00 O ATOM 0 H TYR A 297 0.160 -0.306 -3.290 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.638 -2.964 -2.344 1.00 15.00 H new ATOM 0 HB2 TYR A 297 1.265 -4.086 -2.517 1.00 15.00 H new ATOM 0 HB3 TYR A 297 1.338 -3.169 -4.009 1.00 15.00 H new ATOM 0 HD1 TYR A 297 2.758 -0.934 -3.907 1.00 15.00 H new ATOM 0 HD2 TYR A 297 3.102 -4.118 -1.101 1.00 15.00 H new ATOM 0 HE1 TYR A 297 5.002 -0.162 -3.289 1.00 15.00 H new ATOM 0 HE2 TYR A 297 5.343 -3.344 -0.488 1.00 15.00 H new ATOM 0 HH TYR A 297 6.930 -1.857 -0.811 1.00 15.00 H new ATOM 299 N PHE A 298 -0.158 -2.080 -0.113 1.00 15.00 N ATOM 300 CA PHE A 298 -0.213 -1.373 1.117 1.00 15.00 C ATOM 301 C PHE A 298 0.941 -1.587 2.028 1.00 15.00 C ATOM 302 O PHE A 298 1.407 -2.702 2.243 1.00 15.00 O ATOM 303 CB PHE A 298 -1.505 -1.637 1.817 1.00 15.00 C ATOM 304 CG PHE A 298 -2.363 -0.492 1.554 1.00 15.00 C ATOM 305 CD1 PHE A 298 -2.056 0.707 2.147 1.00 15.00 C ATOM 306 CD2 PHE A 298 -3.410 -0.572 0.669 1.00 15.00 C ATOM 307 CE1 PHE A 298 -2.790 1.818 1.881 1.00 15.00 C ATOM 308 CE2 PHE A 298 -4.152 0.538 0.395 1.00 15.00 C ATOM 309 CZ PHE A 298 -3.836 1.729 1.005 1.00 15.00 C ATOM 0 H PHE A 298 -0.582 -3.008 -0.100 1.00 15.00 H new ATOM 0 HA PHE A 298 -0.149 -0.321 0.840 1.00 15.00 H new ATOM 0 HB2 PHE A 298 -1.963 -2.556 1.451 1.00 15.00 H new ATOM 0 HB3 PHE A 298 -1.346 -1.764 2.888 1.00 15.00 H new ATOM 0 HD1 PHE A 298 -1.223 0.767 2.832 1.00 15.00 H new ATOM 0 HD2 PHE A 298 -3.645 -1.512 0.191 1.00 15.00 H new ATOM 0 HE1 PHE A 298 -2.551 2.759 2.355 1.00 15.00 H new ATOM 0 HE2 PHE A 298 -4.981 0.483 -0.295 1.00 15.00 H new ATOM 0 HZ PHE A 298 -4.424 2.609 0.789 1.00 15.00 H new ATOM 319 N VAL A 299 1.343 -0.469 2.595 1.00 15.00 N ATOM 320 CA VAL A 299 2.407 -0.407 3.540 1.00 15.00 C ATOM 321 C VAL A 299 1.962 0.441 4.732 1.00 15.00 C ATOM 322 O VAL A 299 2.112 1.665 4.757 1.00 15.00 O ATOM 323 CB VAL A 299 3.678 0.184 2.887 1.00 15.00 C ATOM 324 CG1 VAL A 299 4.194 -0.732 1.789 1.00 15.00 C ATOM 325 CG2 VAL A 299 3.388 1.556 2.297 1.00 15.00 C ATOM 0 H VAL A 299 0.920 0.438 2.398 1.00 15.00 H new ATOM 0 HA VAL A 299 2.650 -1.412 3.884 1.00 15.00 H new ATOM 0 HB VAL A 299 4.438 0.278 3.663 1.00 15.00 H new ATOM 0 HG11 VAL A 299 5.089 -0.297 1.343 1.00 15.00 H new ATOM 0 HG12 VAL A 299 4.437 -1.707 2.212 1.00 15.00 H new ATOM 0 HG13 VAL A 299 3.427 -0.850 1.023 1.00 15.00 H new ATOM 0 HG21 VAL A 299 4.294 1.955 1.842 1.00 15.00 H new ATOM 0 HG22 VAL A 299 2.610 1.469 1.539 1.00 15.00 H new ATOM 0 HG23 VAL A 299 3.052 2.228 3.087 1.00 15.00 H new ATOM 335 N ASP A 300 1.378 -0.194 5.720 1.00 15.00 N ATOM 336 CA ASP A 300 1.004 0.533 6.909 1.00 15.00 C ATOM 337 C ASP A 300 2.195 0.466 7.843 1.00 15.00 C ATOM 338 O ASP A 300 2.700 -0.617 8.152 1.00 15.00 O ATOM 339 CB ASP A 300 -0.281 -0.024 7.549 1.00 15.00 C ATOM 340 CG ASP A 300 -0.064 -0.560 8.950 1.00 15.00 C ATOM 341 OD1 ASP A 300 0.008 0.251 9.904 1.00 15.00 O ATOM 342 OD2 ASP A 300 0.042 -1.787 9.104 1.00 15.00 O1- ATOM 0 H ASP A 300 1.155 -1.189 5.727 1.00 15.00 H new ATOM 0 HA ASP A 300 0.764 1.569 6.672 1.00 15.00 H new ATOM 0 HB2 ASP A 300 -1.035 0.763 7.580 1.00 15.00 H new ATOM 0 HB3 ASP A 300 -0.678 -0.820 6.919 1.00 15.00 H new ATOM 347 N HIS A 301 2.683 1.635 8.224 1.00 15.00 N ATOM 348 CA HIS A 301 4.004 1.737 8.822 1.00 15.00 C ATOM 349 C HIS A 301 3.993 1.484 10.328 1.00 15.00 C ATOM 350 O HIS A 301 5.037 1.192 10.905 1.00 15.00 O ATOM 351 CB HIS A 301 4.634 3.112 8.558 1.00 15.00 C ATOM 352 CG HIS A 301 4.833 3.495 7.113 1.00 15.00 C ATOM 353 ND1 HIS A 301 4.838 4.804 6.695 1.00 15.00 N ATOM 354 CD2 HIS A 301 5.151 2.764 6.017 1.00 15.00 C ATOM 355 CE1 HIS A 301 5.161 4.859 5.423 1.00 15.00 C ATOM 356 NE2 HIS A 301 5.370 3.634 4.978 1.00 15.00 N ATOM 0 H HIS A 301 2.188 2.522 8.131 1.00 15.00 H new ATOM 0 HA HIS A 301 4.601 0.958 8.347 1.00 15.00 H new ATOM 0 HB2 HIS A 301 4.008 3.870 9.029 1.00 15.00 H new ATOM 0 HB3 HIS A 301 5.603 3.145 9.056 1.00 15.00 H new ATOM 0 HD1 HIS A 301 4.624 5.610 7.283 1.00 15.00 H new ATOM 0 HD2 HIS A 301 5.220 1.687 5.969 1.00 15.00 H new ATOM 0 HE1 HIS A 301 5.242 5.762 4.836 1.00 15.00 H new ATOM 365 N ASN A 302 2.845 1.616 10.979 1.00 15.00 N ATOM 366 CA ASN A 302 2.822 1.512 12.435 1.00 15.00 C ATOM 367 C ASN A 302 2.354 0.137 12.898 1.00 15.00 C ATOM 368 O ASN A 302 2.786 -0.346 13.944 1.00 15.00 O ATOM 369 CB ASN A 302 1.983 2.630 13.074 1.00 15.00 C ATOM 370 CG ASN A 302 0.491 2.475 12.859 1.00 15.00 C ATOM 371 OD1 ASN A 302 -0.052 2.924 11.853 1.00 15.00 O ATOM 372 ND2 ASN A 302 -0.185 1.865 13.822 1.00 15.00 N ATOM 0 H ASN A 302 1.941 1.790 10.540 1.00 15.00 H new ATOM 0 HA ASN A 302 3.849 1.639 12.776 1.00 15.00 H new ATOM 0 HB2 ASN A 302 2.185 2.656 14.145 1.00 15.00 H new ATOM 0 HB3 ASN A 302 2.302 3.589 12.666 1.00 15.00 H new ATOM 0 HD21 ASN A 302 -1.196 1.754 13.744 1.00 15.00 H new ATOM 0 HD22 ASN A 302 0.306 1.507 14.641 1.00 15.00 H new ATOM 379 N ASN A 303 1.450 -0.483 12.152 1.00 15.00 N ATOM 380 CA ASN A 303 1.075 -1.866 12.439 1.00 15.00 C ATOM 381 C ASN A 303 1.985 -2.823 11.672 1.00 15.00 C ATOM 382 O ASN A 303 2.202 -3.959 12.099 1.00 15.00 O ATOM 383 CB ASN A 303 -0.388 -2.151 12.072 1.00 15.00 C ATOM 384 CG ASN A 303 -1.370 -1.192 12.715 1.00 15.00 C ATOM 385 OD1 ASN A 303 -1.853 -1.424 13.825 1.00 15.00 O ATOM 386 ND2 ASN A 303 -1.679 -0.111 12.017 1.00 15.00 N ATOM 0 H ASN A 303 0.969 -0.062 11.357 1.00 15.00 H new ATOM 0 HA ASN A 303 1.190 -2.019 13.512 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.499 -2.100 10.989 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -0.638 -3.169 12.371 1.00 15.00 H new ATOM 0 HD21 ASN A 303 -2.340 0.568 12.394 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -1.256 0.043 11.102 1.00 15.00 H new ATOM 393 N ARG A 304 2.498 -2.343 10.536 1.00 15.00 N ATOM 394 CA ARG A 304 3.326 -3.128 9.632 1.00 15.00 C ATOM 395 C ARG A 304 2.506 -4.233 8.980 1.00 15.00 C ATOM 396 O ARG A 304 2.457 -5.368 9.461 1.00 15.00 O ATOM 397 CB ARG A 304 4.571 -3.689 10.331 1.00 15.00 C ATOM 398 CG ARG A 304 5.452 -4.534 9.424 1.00 15.00 C ATOM 399 CD ARG A 304 6.751 -4.917 10.110 1.00 15.00 C ATOM 400 NE ARG A 304 6.528 -5.603 11.383 1.00 15.00 N ATOM 401 CZ ARG A 304 7.252 -6.636 11.809 1.00 15.00 C ATOM 402 NH1 ARG A 304 8.207 -7.144 11.040 1.00 15.00 N1+ ATOM 403 NH2 ARG A 304 7.019 -7.168 13.006 1.00 15.00 N ATOM 0 H ARG A 304 2.345 -1.386 10.219 1.00 15.00 H new ATOM 0 HA ARG A 304 3.684 -2.460 8.848 1.00 15.00 H new ATOM 0 HB2 ARG A 304 5.160 -2.861 10.726 1.00 15.00 H new ATOM 0 HB3 ARG A 304 4.258 -4.292 11.183 1.00 15.00 H new ATOM 0 HG2 ARG A 304 4.915 -5.436 9.130 1.00 15.00 H new ATOM 0 HG3 ARG A 304 5.671 -3.982 8.510 1.00 15.00 H new ATOM 0 HD2 ARG A 304 7.331 -5.562 9.450 1.00 15.00 H new ATOM 0 HD3 ARG A 304 7.346 -4.020 10.283 1.00 15.00 H new ATOM 0 HE ARG A 304 5.772 -5.269 11.981 1.00 15.00 H new ATOM 0 HH11 ARG A 304 8.388 -6.743 10.120 1.00 15.00 H new ATOM 0 HH12 ARG A 304 8.760 -7.935 11.369 1.00 15.00 H new ATOM 0 HH21 ARG A 304 6.284 -6.785 13.600 1.00 15.00 H new ATOM 0 HH22 ARG A 304 7.575 -7.959 13.329 1.00 15.00 H new ATOM 417 N THR A 305 1.807 -3.866 7.919 1.00 15.00 N ATOM 418 CA THR A 305 1.024 -4.828 7.163 1.00 15.00 C ATOM 419 C THR A 305 1.075 -4.501 5.671 1.00 15.00 C ATOM 420 O THR A 305 1.237 -3.340 5.279 1.00 15.00 O ATOM 421 CB THR A 305 -0.450 -4.884 7.646 1.00 15.00 C ATOM 422 OG1 THR A 305 -1.064 -6.104 7.206 1.00 15.00 O ATOM 423 CG2 THR A 305 -1.260 -3.705 7.123 1.00 15.00 C ATOM 0 H THR A 305 1.766 -2.911 7.563 1.00 15.00 H new ATOM 0 HA THR A 305 1.465 -5.810 7.332 1.00 15.00 H new ATOM 0 HB THR A 305 -0.439 -4.839 8.735 1.00 15.00 H new ATOM 0 HG1 THR A 305 -1.993 -6.133 7.516 1.00 15.00 H new ATOM 0 HG21 THR A 305 -2.286 -3.780 7.483 1.00 15.00 H new ATOM 0 HG22 THR A 305 -0.818 -2.774 7.478 1.00 15.00 H new ATOM 0 HG23 THR A 305 -1.256 -3.716 6.033 1.00 15.00 H new ATOM 431 N THR A 306 0.967 -5.536 4.849 1.00 15.00 N ATOM 432 CA THR A 306 1.010 -5.382 3.407 1.00 15.00 C ATOM 433 C THR A 306 -0.284 -5.885 2.766 1.00 15.00 C ATOM 434 O THR A 306 -0.567 -7.084 2.762 1.00 15.00 O ATOM 435 CB THR A 306 2.226 -6.121 2.818 1.00 15.00 C ATOM 436 OG1 THR A 306 2.382 -7.396 3.461 1.00 15.00 O ATOM 437 CG2 THR A 306 3.496 -5.301 3.001 1.00 15.00 C ATOM 0 H THR A 306 0.848 -6.499 5.163 1.00 15.00 H new ATOM 0 HA THR A 306 1.110 -4.320 3.184 1.00 15.00 H new ATOM 0 HB THR A 306 2.054 -6.268 1.752 1.00 15.00 H new ATOM 0 HG1 THR A 306 1.509 -7.836 3.531 1.00 15.00 H new ATOM 0 HG21 THR A 306 4.342 -5.842 2.578 1.00 15.00 H new ATOM 0 HG22 THR A 306 3.387 -4.343 2.493 1.00 15.00 H new ATOM 0 HG23 THR A 306 3.669 -5.130 4.064 1.00 15.00 H new ATOM 445 N GLN A 307 -1.063 -4.957 2.220 1.00 15.00 N ATOM 446 CA GLN A 307 -2.414 -5.265 1.737 1.00 15.00 C ATOM 447 C GLN A 307 -2.584 -4.935 0.255 1.00 15.00 C ATOM 448 O GLN A 307 -2.328 -3.819 -0.167 1.00 15.00 O ATOM 449 CB GLN A 307 -3.444 -4.473 2.554 1.00 15.00 C ATOM 450 CG GLN A 307 -3.572 -4.931 3.997 1.00 15.00 C ATOM 451 CD GLN A 307 -4.187 -6.313 4.130 1.00 15.00 C ATOM 452 OE1 GLN A 307 -4.035 -7.170 3.258 1.00 15.00 O ATOM 453 NE2 GLN A 307 -4.899 -6.536 5.222 1.00 15.00 N ATOM 0 H GLN A 307 -0.786 -3.983 2.099 1.00 15.00 H new ATOM 0 HA GLN A 307 -2.571 -6.336 1.861 1.00 15.00 H new ATOM 0 HB2 GLN A 307 -3.169 -3.418 2.541 1.00 15.00 H new ATOM 0 HB3 GLN A 307 -4.417 -4.555 2.070 1.00 15.00 H new ATOM 0 HG2 GLN A 307 -2.585 -4.933 4.460 1.00 15.00 H new ATOM 0 HG3 GLN A 307 -4.181 -4.214 4.547 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -5.002 -5.802 5.922 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -5.345 -7.442 5.364 1.00 15.00 H new ATOM 462 N PHE A 308 -3.035 -5.898 -0.536 1.00 15.00 N ATOM 463 CA PHE A 308 -3.327 -5.633 -1.946 1.00 15.00 C ATOM 464 C PHE A 308 -4.732 -5.066 -2.129 1.00 15.00 C ATOM 465 O PHE A 308 -5.066 -4.551 -3.197 1.00 15.00 O ATOM 466 CB PHE A 308 -3.137 -6.885 -2.810 1.00 15.00 C ATOM 467 CG PHE A 308 -1.740 -7.023 -3.352 1.00 15.00 C ATOM 468 CD1 PHE A 308 -1.035 -5.897 -3.754 1.00 15.00 C ATOM 469 CD2 PHE A 308 -1.132 -8.266 -3.482 1.00 15.00 C ATOM 470 CE1 PHE A 308 0.244 -6.006 -4.266 1.00 15.00 C ATOM 471 CE2 PHE A 308 0.142 -8.373 -3.990 1.00 15.00 C ATOM 472 CZ PHE A 308 0.831 -7.245 -4.383 1.00 15.00 C ATOM 0 H PHE A 308 -3.206 -6.858 -0.236 1.00 15.00 H new ATOM 0 HA PHE A 308 -2.611 -4.882 -2.281 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -3.379 -7.768 -2.218 1.00 15.00 H new ATOM 0 HB3 PHE A 308 -3.841 -6.856 -3.641 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -1.492 -4.923 -3.665 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.665 -9.156 -3.181 1.00 15.00 H new ATOM 0 HE1 PHE A 308 0.781 -5.121 -4.573 1.00 15.00 H new ATOM 0 HE2 PHE A 308 0.605 -9.345 -4.081 1.00 15.00 H new ATOM 0 HZ PHE A 308 1.831 -7.334 -4.782 1.00 15.00 H new ATOM 482 N THR A 309 -5.557 -5.181 -1.098 1.00 15.00 N ATOM 483 CA THR A 309 -6.905 -4.630 -1.132 1.00 15.00 C ATOM 484 C THR A 309 -6.881 -3.136 -0.805 1.00 15.00 C ATOM 485 O THR A 309 -6.470 -2.736 0.286 1.00 15.00 O ATOM 486 CB THR A 309 -7.821 -5.371 -0.142 1.00 15.00 C ATOM 487 OG1 THR A 309 -7.748 -6.784 -0.390 1.00 15.00 O ATOM 488 CG2 THR A 309 -9.265 -4.903 -0.271 1.00 15.00 C ATOM 0 H THR A 309 -5.316 -5.652 -0.226 1.00 15.00 H new ATOM 0 HA THR A 309 -7.301 -4.764 -2.139 1.00 15.00 H new ATOM 0 HB THR A 309 -7.482 -5.152 0.870 1.00 15.00 H new ATOM 0 HG1 THR A 309 -8.330 -7.257 0.241 1.00 15.00 H new ATOM 0 HG21 THR A 309 -9.888 -5.444 0.441 1.00 15.00 H new ATOM 0 HG22 THR A 309 -9.321 -3.834 -0.063 1.00 15.00 H new ATOM 0 HG23 THR A 309 -9.621 -5.095 -1.283 1.00 15.00 H new ATOM 496 N ASP A 310 -7.314 -2.320 -1.758 1.00 15.00 N ATOM 497 CA ASP A 310 -7.251 -0.867 -1.614 1.00 15.00 C ATOM 498 C ASP A 310 -8.640 -0.262 -1.499 1.00 15.00 C ATOM 499 O ASP A 310 -9.545 -0.621 -2.249 1.00 15.00 O ATOM 500 CB ASP A 310 -6.520 -0.259 -2.815 1.00 15.00 C ATOM 501 CG ASP A 310 -6.416 1.259 -2.754 1.00 15.00 C ATOM 502 OD1 ASP A 310 -6.192 1.808 -1.659 1.00 15.00 O1- ATOM 503 OD2 ASP A 310 -6.574 1.910 -3.807 1.00 15.00 O ATOM 0 H ASP A 310 -7.714 -2.638 -2.641 1.00 15.00 H new ATOM 0 HA ASP A 310 -6.706 -0.641 -0.698 1.00 15.00 H new ATOM 0 HB2 ASP A 310 -5.517 -0.682 -2.873 1.00 15.00 H new ATOM 0 HB3 ASP A 310 -7.040 -0.544 -3.730 1.00 15.00 H new ATOM 508 N PRO A 311 -8.837 0.638 -0.528 1.00 15.00 N ATOM 509 CA PRO A 311 -10.060 1.422 -0.411 1.00 15.00 C ATOM 510 C PRO A 311 -10.011 2.751 -1.182 1.00 15.00 C ATOM 511 O PRO A 311 -11.040 3.407 -1.362 1.00 15.00 O ATOM 512 CB PRO A 311 -10.146 1.676 1.089 1.00 15.00 C ATOM 513 CG PRO A 311 -8.723 1.765 1.537 1.00 15.00 C ATOM 514 CD PRO A 311 -7.905 0.923 0.583 1.00 15.00 C ATOM 0 HA PRO A 311 -10.919 0.902 -0.835 1.00 15.00 H new ATOM 0 HB2 PRO A 311 -10.688 2.597 1.305 1.00 15.00 H new ATOM 0 HB3 PRO A 311 -10.673 0.869 1.598 1.00 15.00 H new ATOM 0 HG2 PRO A 311 -8.380 2.800 1.529 1.00 15.00 H new ATOM 0 HG3 PRO A 311 -8.617 1.402 2.559 1.00 15.00 H new ATOM 0 HD2 PRO A 311 -7.021 1.458 0.236 1.00 15.00 H new ATOM 0 HD3 PRO A 311 -7.557 0.006 1.058 1.00 15.00 H new ATOM 522 N ARG A 312 -8.812 3.169 -1.594 1.00 15.00 N ATOM 523 CA ARG A 312 -8.615 4.503 -2.167 1.00 15.00 C ATOM 524 C ARG A 312 -8.983 4.581 -3.647 1.00 15.00 C ATOM 525 O ARG A 312 -9.497 5.606 -4.103 1.00 15.00 O ATOM 526 CB ARG A 312 -7.165 4.959 -1.990 1.00 15.00 C ATOM 527 CG ARG A 312 -6.755 5.150 -0.544 1.00 15.00 C ATOM 528 CD ARG A 312 -7.542 6.271 0.116 1.00 15.00 C ATOM 529 NE ARG A 312 -7.305 7.564 -0.525 1.00 15.00 N ATOM 530 CZ ARG A 312 -7.865 8.707 -0.132 1.00 15.00 C ATOM 531 NH1 ARG A 312 -8.750 8.716 0.856 1.00 15.00 N1+ ATOM 532 NH2 ARG A 312 -7.559 9.846 -0.742 1.00 15.00 N ATOM 0 H ARG A 312 -7.964 2.604 -1.542 1.00 15.00 H new ATOM 0 HA ARG A 312 -9.289 5.164 -1.622 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -6.504 4.225 -2.451 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -7.021 5.898 -2.525 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -6.912 4.222 0.005 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -5.689 5.374 -0.494 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -8.606 6.038 0.077 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -7.268 6.334 1.169 1.00 15.00 H new ATOM 0 HE ARG A 312 -6.671 7.592 -1.323 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -9.005 7.844 1.320 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -9.175 9.595 1.152 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -6.893 9.848 -1.515 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -7.990 10.719 -0.438 1.00 15.00 H new ATOM 546 N LEU A 313 -8.677 3.531 -4.397 1.00 15.00 N ATOM 547 CA LEU A 313 -8.882 3.522 -5.846 1.00 15.00 C ATOM 548 C LEU A 313 -10.326 3.863 -6.222 1.00 15.00 C ATOM 549 O LEU A 313 -11.262 3.392 -5.543 1.00 15.00 O ATOM 550 CB LEU A 313 -8.447 2.177 -6.461 1.00 15.00 C ATOM 551 CG LEU A 313 -9.409 0.985 -6.314 1.00 15.00 C ATOM 552 CD1 LEU A 313 -8.776 -0.266 -6.902 1.00 15.00 C ATOM 553 CD2 LEU A 313 -9.783 0.737 -4.864 1.00 15.00 C ATOM 0 H LEU A 313 -8.283 2.667 -4.026 1.00 15.00 H new ATOM 0 HA LEU A 313 -8.249 4.304 -6.266 1.00 15.00 H new ATOM 0 HB2 LEU A 313 -8.268 2.336 -7.524 1.00 15.00 H new ATOM 0 HB3 LEU A 313 -7.493 1.896 -6.015 1.00 15.00 H new ATOM 0 HG LEU A 313 -10.322 1.228 -6.857 1.00 15.00 H new ATOM 0 HD11 LEU A 313 -9.462 -1.106 -6.795 1.00 15.00 H new ATOM 0 HD12 LEU A 313 -8.563 -0.104 -7.959 1.00 15.00 H new ATOM 0 HD13 LEU A 313 -7.848 -0.486 -6.375 1.00 15.00 H new ATOM 0 HD21 LEU A 313 -10.463 -0.113 -4.804 1.00 15.00 H new ATOM 0 HD22 LEU A 313 -8.883 0.523 -4.288 1.00 15.00 H new ATOM 0 HD23 LEU A 313 -10.272 1.623 -4.458 1.00 15.00 H new TER 565 LEU A 313 ATOM 566 N ASP B 221 -2.330 -9.789 -7.935 1.00 15.00 N ATOM 567 CA ASP B 221 -0.899 -9.589 -8.257 1.00 15.00 C ATOM 568 C ASP B 221 -0.057 -10.563 -7.444 1.00 15.00 C ATOM 569 O ASP B 221 -0.574 -11.236 -6.553 1.00 15.00 O ATOM 570 CB ASP B 221 -0.485 -8.146 -7.941 1.00 15.00 C ATOM 571 CG ASP B 221 0.795 -7.735 -8.641 1.00 15.00 C ATOM 572 OD1 ASP B 221 1.888 -8.020 -8.113 1.00 15.00 O ATOM 573 OD2 ASP B 221 0.709 -7.117 -9.724 1.00 15.00 O1- ATOM 0 HA ASP B 221 -0.739 -9.773 -9.319 1.00 15.00 H new ATOM 0 HB2 ASP B 221 -1.288 -7.470 -8.235 1.00 15.00 H new ATOM 0 HB3 ASP B 221 -0.356 -8.038 -6.864 1.00 15.00 H new ATOM 578 N THR B 222 1.230 -10.629 -7.745 1.00 15.00 N ATOM 579 CA THR B 222 2.150 -11.498 -7.026 1.00 15.00 C ATOM 580 C THR B 222 2.311 -11.037 -5.582 1.00 15.00 C ATOM 581 O THR B 222 2.082 -9.871 -5.297 1.00 15.00 O ATOM 582 CB THR B 222 3.523 -11.511 -7.720 1.00 15.00 C ATOM 583 OG1 THR B 222 3.907 -10.167 -8.042 1.00 15.00 O ATOM 584 CG2 THR B 222 3.486 -12.355 -8.985 1.00 15.00 C ATOM 0 H THR B 222 1.665 -10.085 -8.490 1.00 15.00 H new ATOM 0 HA THR B 222 1.736 -12.506 -7.029 1.00 15.00 H new ATOM 0 HB THR B 222 4.253 -11.950 -7.040 1.00 15.00 H new ATOM 0 HG1 THR B 222 4.782 -10.174 -8.483 1.00 15.00 H new ATOM 0 HG21 THR B 222 4.469 -12.347 -9.456 1.00 15.00 H new ATOM 0 HG22 THR B 222 3.213 -13.379 -8.731 1.00 15.00 H new ATOM 0 HG23 THR B 222 2.749 -11.944 -9.675 1.00 15.00 H new ATOM 592 N PRO B 223 2.752 -11.932 -4.675 1.00 15.00 N ATOM 593 CA PRO B 223 2.780 -11.657 -3.229 1.00 15.00 C ATOM 594 C PRO B 223 3.423 -10.310 -2.886 1.00 15.00 C ATOM 595 O PRO B 223 4.448 -9.931 -3.465 1.00 15.00 O ATOM 596 CB PRO B 223 3.625 -12.805 -2.676 1.00 15.00 C ATOM 597 CG PRO B 223 3.409 -13.924 -3.632 1.00 15.00 C ATOM 598 CD PRO B 223 3.251 -13.287 -4.983 1.00 15.00 C ATOM 0 HA PRO B 223 1.775 -11.596 -2.811 1.00 15.00 H new ATOM 0 HB2 PRO B 223 4.678 -12.530 -2.619 1.00 15.00 H new ATOM 0 HB3 PRO B 223 3.312 -13.078 -1.668 1.00 15.00 H new ATOM 0 HG2 PRO B 223 4.252 -14.614 -3.622 1.00 15.00 H new ATOM 0 HG3 PRO B 223 2.523 -14.500 -3.366 1.00 15.00 H new ATOM 0 HD2 PRO B 223 4.198 -13.252 -5.522 1.00 15.00 H new ATOM 0 HD3 PRO B 223 2.549 -13.840 -5.607 1.00 15.00 H new ATOM 606 N PRO B 224 2.828 -9.576 -1.921 1.00 15.00 N ATOM 607 CA PRO B 224 3.242 -8.209 -1.601 1.00 15.00 C ATOM 608 C PRO B 224 4.656 -8.130 -1.036 1.00 15.00 C ATOM 609 O PRO B 224 5.065 -8.957 -0.219 1.00 15.00 O ATOM 610 CB PRO B 224 2.222 -7.751 -0.553 1.00 15.00 C ATOM 611 CG PRO B 224 1.676 -9.002 0.037 1.00 15.00 C ATOM 612 CD PRO B 224 1.723 -10.035 -1.052 1.00 15.00 C ATOM 0 HA PRO B 224 3.265 -7.585 -2.495 1.00 15.00 H new ATOM 0 HB2 PRO B 224 2.693 -7.130 0.209 1.00 15.00 H new ATOM 0 HB3 PRO B 224 1.432 -7.153 -1.008 1.00 15.00 H new ATOM 0 HG2 PRO B 224 2.267 -9.317 0.897 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.655 -8.853 0.388 1.00 15.00 H new ATOM 0 HD2 PRO B 224 1.915 -11.031 -0.652 1.00 15.00 H new ATOM 0 HD3 PRO B 224 0.780 -10.087 -1.596 1.00 15.00 H new ATOM 620 N PRO B 225 5.410 -7.113 -1.473 1.00 15.00 N ATOM 621 CA PRO B 225 6.764 -6.843 -0.981 1.00 15.00 C ATOM 622 C PRO B 225 6.764 -6.428 0.484 1.00 15.00 C ATOM 623 O PRO B 225 5.707 -6.315 1.103 1.00 15.00 O ATOM 624 CB PRO B 225 7.236 -5.656 -1.833 1.00 15.00 C ATOM 625 CG PRO B 225 6.279 -5.556 -2.968 1.00 15.00 C ATOM 626 CD PRO B 225 4.990 -6.144 -2.490 1.00 15.00 C ATOM 0 HA PRO B 225 7.397 -7.727 -1.054 1.00 15.00 H new ATOM 0 HB2 PRO B 225 7.245 -4.736 -1.249 1.00 15.00 H new ATOM 0 HB3 PRO B 225 8.252 -5.815 -2.193 1.00 15.00 H new ATOM 0 HG2 PRO B 225 6.143 -4.518 -3.270 1.00 15.00 H new ATOM 0 HG3 PRO B 225 6.652 -6.095 -3.839 1.00 15.00 H new ATOM 0 HD2 PRO B 225 4.333 -5.382 -2.071 1.00 15.00 H new ATOM 0 HD3 PRO B 225 4.444 -6.625 -3.301 1.00 15.00 H new ATOM 634 N ALA B 226 7.950 -6.183 1.030 1.00 15.00 N ATOM 635 CA ALA B 226 8.061 -5.583 2.351 1.00 15.00 C ATOM 636 C ALA B 226 7.502 -4.167 2.301 1.00 15.00 C ATOM 637 O ALA B 226 7.338 -3.601 1.215 1.00 15.00 O ATOM 638 CB ALA B 226 9.508 -5.576 2.820 1.00 15.00 C ATOM 0 H ALA B 226 8.842 -6.390 0.580 1.00 15.00 H new ATOM 0 HA ALA B 226 7.487 -6.173 3.066 1.00 15.00 H new ATOM 0 HB1 ALA B 226 9.568 -5.123 3.810 1.00 15.00 H new ATOM 0 HB2 ALA B 226 9.880 -6.599 2.866 1.00 15.00 H new ATOM 0 HB3 ALA B 226 10.114 -5.001 2.121 1.00 15.00 H new ATOM 644 N TYR B 227 7.224 -3.579 3.449 1.00 15.00 N ATOM 645 CA TYR B 227 6.557 -2.291 3.459 1.00 15.00 C ATOM 646 C TYR B 227 7.574 -1.148 3.429 1.00 15.00 C ATOM 647 O TYR B 227 8.505 -1.087 4.235 1.00 15.00 O ATOM 648 CB TYR B 227 5.612 -2.164 4.667 1.00 15.00 C ATOM 649 CG TYR B 227 6.257 -1.587 5.902 1.00 15.00 C ATOM 650 CD1 TYR B 227 6.933 -2.388 6.813 1.00 15.00 C ATOM 651 CD2 TYR B 227 6.204 -0.223 6.137 1.00 15.00 C ATOM 652 CE1 TYR B 227 7.542 -1.838 7.924 1.00 15.00 C ATOM 653 CE2 TYR B 227 6.806 0.334 7.244 1.00 15.00 C ATOM 654 CZ TYR B 227 7.477 -0.477 8.136 1.00 15.00 C ATOM 655 OH TYR B 227 8.091 0.073 9.237 1.00 15.00 O ATOM 0 H TYR B 227 7.444 -3.962 4.368 1.00 15.00 H new ATOM 0 HA TYR B 227 5.950 -2.221 2.557 1.00 15.00 H new ATOM 0 HB2 TYR B 227 4.766 -1.537 4.387 1.00 15.00 H new ATOM 0 HB3 TYR B 227 5.213 -3.150 4.907 1.00 15.00 H new ATOM 0 HD1 TYR B 227 6.983 -3.455 6.651 1.00 15.00 H new ATOM 0 HD2 TYR B 227 5.681 0.415 5.440 1.00 15.00 H new ATOM 0 HE1 TYR B 227 8.067 -2.471 8.624 1.00 15.00 H new ATOM 0 HE2 TYR B 227 6.753 1.399 7.413 1.00 15.00 H new ATOM 0 HH TYR B 227 7.952 1.043 9.239 1.00 15.00 H new ATOM 665 N LEU B 228 7.398 -0.279 2.452 1.00 15.00 N ATOM 666 CA LEU B 228 8.181 0.939 2.310 1.00 15.00 C ATOM 667 C LEU B 228 7.221 2.101 2.115 1.00 15.00 C ATOM 668 O LEU B 228 6.101 1.886 1.691 1.00 15.00 O ATOM 669 CB LEU B 228 9.150 0.855 1.115 1.00 15.00 C ATOM 670 CG LEU B 228 10.365 -0.069 1.279 1.00 15.00 C ATOM 671 CD1 LEU B 228 9.976 -1.525 1.092 1.00 15.00 C ATOM 672 CD2 LEU B 228 11.455 0.320 0.295 1.00 15.00 C ATOM 0 H LEU B 228 6.696 -0.399 1.722 1.00 15.00 H new ATOM 0 HA LEU B 228 8.783 1.081 3.208 1.00 15.00 H new ATOM 0 HB2 LEU B 228 8.587 0.525 0.242 1.00 15.00 H new ATOM 0 HB3 LEU B 228 9.513 1.860 0.899 1.00 15.00 H new ATOM 0 HG LEU B 228 10.746 0.048 2.293 1.00 15.00 H new ATOM 0 HD11 LEU B 228 10.857 -2.155 1.214 1.00 15.00 H new ATOM 0 HD12 LEU B 228 9.227 -1.800 1.835 1.00 15.00 H new ATOM 0 HD13 LEU B 228 9.564 -1.666 0.093 1.00 15.00 H new ATOM 0 HD21 LEU B 228 12.312 -0.342 0.421 1.00 15.00 H new ATOM 0 HD22 LEU B 228 11.075 0.232 -0.723 1.00 15.00 H new ATOM 0 HD23 LEU B 228 11.762 1.349 0.480 1.00 15.00 H new ATOM 684 N PRO B 229 7.635 3.352 2.344 1.00 15.00 N ATOM 685 CA PRO B 229 6.715 4.484 2.265 1.00 15.00 C ATOM 686 C PRO B 229 6.620 5.043 0.847 1.00 15.00 C ATOM 687 O PRO B 229 7.509 4.835 0.019 1.00 15.00 O ATOM 688 CB PRO B 229 7.369 5.532 3.188 1.00 15.00 C ATOM 689 CG PRO B 229 8.552 4.862 3.807 1.00 15.00 C ATOM 690 CD PRO B 229 8.930 3.744 2.886 1.00 15.00 C ATOM 0 HA PRO B 229 5.699 4.207 2.548 1.00 15.00 H new ATOM 0 HB2 PRO B 229 7.672 6.413 2.623 1.00 15.00 H new ATOM 0 HB3 PRO B 229 6.668 5.869 3.952 1.00 15.00 H new ATOM 0 HG2 PRO B 229 9.378 5.563 3.927 1.00 15.00 H new ATOM 0 HG3 PRO B 229 8.309 4.483 4.800 1.00 15.00 H new ATOM 0 HD2 PRO B 229 9.617 4.072 2.106 1.00 15.00 H new ATOM 0 HD3 PRO B 229 9.416 2.925 3.416 1.00 15.00 H new ATOM 698 N PRO B 230 5.536 5.788 0.556 1.00 15.00 N ATOM 699 CA PRO B 230 4.966 5.844 -0.783 1.00 15.00 C ATOM 700 C PRO B 230 5.524 6.929 -1.692 1.00 15.00 C ATOM 701 O PRO B 230 5.832 8.044 -1.268 1.00 15.00 O ATOM 702 CB PRO B 230 3.500 6.130 -0.474 1.00 15.00 C ATOM 703 CG PRO B 230 3.514 6.976 0.756 1.00 15.00 C ATOM 704 CD PRO B 230 4.788 6.656 1.494 1.00 15.00 C ATOM 0 HA PRO B 230 5.181 4.931 -1.338 1.00 15.00 H new ATOM 0 HB2 PRO B 230 3.017 6.649 -1.302 1.00 15.00 H new ATOM 0 HB3 PRO B 230 2.945 5.206 -0.310 1.00 15.00 H new ATOM 0 HG2 PRO B 230 3.473 8.034 0.497 1.00 15.00 H new ATOM 0 HG3 PRO B 230 2.644 6.766 1.379 1.00 15.00 H new ATOM 0 HD2 PRO B 230 5.348 7.560 1.735 1.00 15.00 H new ATOM 0 HD3 PRO B 230 4.586 6.146 2.436 1.00 15.00 H new ATOM 712 N GLU B 231 5.620 6.571 -2.965 1.00 15.00 N ATOM 713 CA GLU B 231 6.031 7.487 -4.009 1.00 15.00 C ATOM 714 C GLU B 231 4.900 7.633 -5.040 1.00 15.00 C ATOM 715 O GLU B 231 4.705 6.755 -5.878 1.00 15.00 O ATOM 716 CB GLU B 231 7.317 6.982 -4.678 1.00 15.00 C ATOM 717 CG GLU B 231 7.277 5.519 -5.113 1.00 15.00 C ATOM 718 CD GLU B 231 8.606 5.052 -5.658 1.00 15.00 C ATOM 719 OE1 GLU B 231 8.879 5.281 -6.853 1.00 15.00 O ATOM 720 OE2 GLU B 231 9.385 4.456 -4.887 1.00 15.00 O1- ATOM 0 H GLU B 231 5.413 5.630 -3.300 1.00 15.00 H new ATOM 0 HA GLU B 231 6.236 8.465 -3.574 1.00 15.00 H new ATOM 0 HB2 GLU B 231 7.524 7.601 -5.551 1.00 15.00 H new ATOM 0 HB3 GLU B 231 8.148 7.119 -3.986 1.00 15.00 H new ATOM 0 HG2 GLU B 231 6.995 4.896 -4.264 1.00 15.00 H new ATOM 0 HG3 GLU B 231 6.507 5.388 -5.874 1.00 15.00 H new ATOM 727 N ASP B 232 4.121 8.710 -4.955 1.00 15.00 N ATOM 728 CA ASP B 232 2.982 8.884 -5.847 1.00 15.00 C ATOM 729 C ASP B 232 2.840 10.346 -6.245 1.00 15.00 C ATOM 730 O ASP B 232 2.690 11.219 -5.386 1.00 15.00 O ATOM 731 CB ASP B 232 1.693 8.399 -5.171 1.00 15.00 C ATOM 732 CG ASP B 232 0.486 8.473 -6.090 1.00 15.00 C ATOM 733 OD1 ASP B 232 0.213 7.483 -6.809 1.00 15.00 O1- ATOM 734 OD2 ASP B 232 -0.195 9.519 -6.104 1.00 15.00 O ATOM 0 H ASP B 232 4.257 9.466 -4.284 1.00 15.00 H new ATOM 0 HA ASP B 232 3.154 8.289 -6.744 1.00 15.00 H new ATOM 0 HB2 ASP B 232 1.828 7.370 -4.837 1.00 15.00 H new ATOM 0 HB3 ASP B 232 1.505 9.001 -4.282 1.00 15.00 H new ATOM 739 N PRO B 233 2.917 10.639 -7.551 1.00 15.00 N ATOM 740 CA PRO B 233 2.778 11.995 -8.074 1.00 15.00 C ATOM 741 C PRO B 233 1.316 12.424 -8.160 1.00 15.00 C ATOM 742 O PRO B 233 0.657 12.224 -9.179 1.00 15.00 O ATOM 743 CB PRO B 233 3.400 11.911 -9.483 1.00 15.00 C ATOM 744 CG PRO B 233 3.917 10.512 -9.623 1.00 15.00 C ATOM 745 CD PRO B 233 3.157 9.680 -8.629 1.00 15.00 C ATOM 0 HA PRO B 233 3.260 12.732 -7.432 1.00 15.00 H new ATOM 0 HB2 PRO B 233 2.658 12.132 -10.251 1.00 15.00 H new ATOM 0 HB3 PRO B 233 4.204 12.638 -9.599 1.00 15.00 H new ATOM 0 HG2 PRO B 233 3.766 10.141 -10.637 1.00 15.00 H new ATOM 0 HG3 PRO B 233 4.988 10.472 -9.425 1.00 15.00 H new ATOM 0 HD2 PRO B 233 2.227 9.294 -9.046 1.00 15.00 H new ATOM 0 HD3 PRO B 233 3.735 8.821 -8.289 1.00 15.00 H new HETATM 753 N NH2 B 234 0.810 13.008 -7.086 1.00 15.00 N TER 756 NH2 B 234