USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 383 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 386 HIS : no HD1:sc= 2.11 K(o=1.8,f=-18!) USER MOD Set 1.2: B 211 TYR OH : rot 38:sc= -0.305 USER MOD Set 2.1: A 385 ASN : amide:sc= -1.98! C(o=-1.8!,f=-6.1!) USER MOD Set 2.2: A 388 ASN : amide:sc= -0.181 K(o=-1.8,f=-12!) USER MOD Set 2.3: A 390 THR OG1 : rot 5:sc= 0.369 USER MOD Single : A 369 SER OG : rot 39:sc= 0.0912 USER MOD Single : A 375 LYS NZ :NH3+ -158:sc= -1.12 (180deg=-2.06!) USER MOD Single : A 378 LYS NZ :NH3+ 161:sc= 2.08 (180deg=-0.0193!) USER MOD Single : A 381 THR OG1 : rot 50:sc= 0.246 USER MOD Single : A 382 TYR OH : rot -172:sc= 0.437 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 391 THR OG1 : rot 38:sc= 0.261 USER MOD Single : A 392 THR OG1 : rot 157:sc= -1.38 USER MOD Single : A 394 THR OG1 : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot 180:sc= 0.0034 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 157:sc= -0.16 (180deg=-0.844) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 365 -15.964 -2.959 -3.476 1.00 15.00 N ATOM 2 CA PRO A 365 -14.719 -2.639 -2.752 1.00 15.00 C ATOM 3 C PRO A 365 -14.731 -1.193 -2.274 1.00 15.00 C ATOM 4 O PRO A 365 -14.764 -0.262 -3.083 1.00 15.00 O ATOM 5 CB PRO A 365 -13.539 -2.871 -3.684 1.00 15.00 C ATOM 6 CG PRO A 365 -14.172 -3.283 -4.973 1.00 15.00 C ATOM 7 CD PRO A 365 -15.623 -2.852 -4.903 1.00 15.00 C ATOM 0 HA PRO A 365 -14.634 -3.282 -1.876 1.00 15.00 H new ATOM 0 HB2 PRO A 365 -12.941 -1.967 -3.804 1.00 15.00 H new ATOM 0 HB3 PRO A 365 -12.874 -3.645 -3.301 1.00 15.00 H new ATOM 0 HG2 PRO A 365 -13.669 -2.813 -5.818 1.00 15.00 H new ATOM 0 HG3 PRO A 365 -14.095 -4.361 -5.115 1.00 15.00 H new ATOM 0 HD2 PRO A 365 -15.754 -1.833 -5.268 1.00 15.00 H new ATOM 0 HD3 PRO A 365 -16.259 -3.493 -5.513 1.00 15.00 H new ATOM 17 N GLY A 366 -14.724 -1.007 -0.963 1.00 15.00 N ATOM 18 CA GLY A 366 -14.731 0.330 -0.407 1.00 15.00 C ATOM 19 C GLY A 366 -13.336 0.906 -0.288 1.00 15.00 C ATOM 20 O GLY A 366 -12.405 0.206 0.106 1.00 15.00 O ATOM 0 H GLY A 366 -14.714 -1.759 -0.273 1.00 15.00 H new ATOM 0 HA2 GLY A 366 -15.339 0.980 -1.036 1.00 15.00 H new ATOM 0 HA3 GLY A 366 -15.199 0.310 0.577 1.00 15.00 H new ATOM 24 N LEU A 367 -13.191 2.175 -0.642 1.00 15.00 N ATOM 25 CA LEU A 367 -11.913 2.860 -0.536 1.00 15.00 C ATOM 26 C LEU A 367 -11.925 3.754 0.701 1.00 15.00 C ATOM 27 O LEU A 367 -12.736 4.678 0.797 1.00 15.00 O ATOM 28 CB LEU A 367 -11.642 3.687 -1.808 1.00 15.00 C ATOM 29 CG LEU A 367 -10.204 4.208 -1.990 1.00 15.00 C ATOM 30 CD1 LEU A 367 -9.971 4.599 -3.439 1.00 15.00 C ATOM 31 CD2 LEU A 367 -9.925 5.401 -1.086 1.00 15.00 C ATOM 0 H LEU A 367 -13.948 2.753 -1.007 1.00 15.00 H new ATOM 0 HA LEU A 367 -11.112 2.127 -0.437 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -11.897 3.076 -2.674 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -12.318 4.542 -1.811 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.521 3.405 -1.713 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -8.952 4.966 -3.557 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -10.120 3.729 -4.079 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -10.674 5.383 -3.722 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -8.902 5.743 -1.240 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -10.617 6.208 -1.325 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -10.056 5.107 -0.045 1.00 15.00 H new ATOM 43 N PRO A 368 -11.031 3.491 1.664 1.00 15.00 N ATOM 44 CA PRO A 368 -10.946 4.271 2.890 1.00 15.00 C ATOM 45 C PRO A 368 -9.995 5.462 2.758 1.00 15.00 C ATOM 46 O PRO A 368 -8.929 5.365 2.145 1.00 15.00 O ATOM 47 CB PRO A 368 -10.400 3.253 3.888 1.00 15.00 C ATOM 48 CG PRO A 368 -9.560 2.320 3.077 1.00 15.00 C ATOM 49 CD PRO A 368 -10.065 2.377 1.657 1.00 15.00 C ATOM 0 HA PRO A 368 -11.902 4.711 3.175 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -9.810 3.740 4.664 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.208 2.720 4.389 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -8.510 2.610 3.123 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -9.627 1.305 3.468 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.253 2.557 0.952 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.539 1.440 1.364 1.00 15.00 H new ATOM 57 N SER A 369 -10.378 6.576 3.363 1.00 15.00 N ATOM 58 CA SER A 369 -9.607 7.806 3.277 1.00 15.00 C ATOM 59 C SER A 369 -8.300 7.675 4.051 1.00 15.00 C ATOM 60 O SER A 369 -8.297 7.314 5.229 1.00 15.00 O ATOM 61 CB SER A 369 -10.441 8.962 3.831 1.00 15.00 C ATOM 62 OG SER A 369 -10.966 8.630 5.108 1.00 15.00 O ATOM 0 H SER A 369 -11.226 6.653 3.924 1.00 15.00 H new ATOM 0 HA SER A 369 -9.362 8.004 2.233 1.00 15.00 H new ATOM 0 HB2 SER A 369 -9.826 9.859 3.906 1.00 15.00 H new ATOM 0 HB3 SER A 369 -11.256 9.192 3.145 1.00 15.00 H new ATOM 0 HG SER A 369 -10.293 8.135 5.620 1.00 15.00 H new ATOM 68 N GLY A 370 -7.197 7.984 3.385 1.00 15.00 N ATOM 69 CA GLY A 370 -5.891 7.807 3.981 1.00 15.00 C ATOM 70 C GLY A 370 -5.101 6.726 3.277 1.00 15.00 C ATOM 71 O GLY A 370 -3.872 6.694 3.344 1.00 15.00 O ATOM 0 H GLY A 370 -7.185 8.357 2.436 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.341 8.747 3.939 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -6.003 7.550 5.034 1.00 15.00 H new ATOM 75 N TRP A 371 -5.814 5.843 2.594 1.00 15.00 N ATOM 76 CA TRP A 371 -5.192 4.758 1.852 1.00 15.00 C ATOM 77 C TRP A 371 -5.001 5.144 0.392 1.00 15.00 C ATOM 78 O TRP A 371 -5.957 5.506 -0.294 1.00 15.00 O ATOM 79 CB TRP A 371 -6.055 3.496 1.923 1.00 15.00 C ATOM 80 CG TRP A 371 -6.052 2.807 3.257 1.00 15.00 C ATOM 81 CD1 TRP A 371 -6.634 3.239 4.417 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.449 1.541 3.559 1.00 15.00 C ATOM 83 NE1 TRP A 371 -6.441 2.312 5.414 1.00 15.00 N ATOM 84 CE2 TRP A 371 -5.711 1.264 4.914 1.00 15.00 C ATOM 85 CE3 TRP A 371 -4.712 0.616 2.814 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.265 0.101 5.538 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.267 -0.537 3.434 1.00 15.00 C ATOM 88 CH2 TRP A 371 -4.544 -0.787 4.784 1.00 15.00 C ATOM 0 H TRP A 371 -6.832 5.858 2.539 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.220 4.561 2.304 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.081 3.760 1.668 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.709 2.793 1.166 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -7.167 4.171 4.533 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -6.785 2.391 6.371 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.494 0.799 1.772 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -5.480 -0.093 6.578 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -3.696 -1.257 2.867 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -4.182 -1.697 5.239 1.00 15.00 H new ATOM 99 N GLU A 372 -3.770 5.072 -0.084 1.00 15.00 N ATOM 100 CA GLU A 372 -3.500 5.249 -1.501 1.00 15.00 C ATOM 101 C GLU A 372 -3.254 3.893 -2.149 1.00 15.00 C ATOM 102 O GLU A 372 -2.230 3.249 -1.910 1.00 15.00 O ATOM 103 CB GLU A 372 -2.315 6.189 -1.741 1.00 15.00 C ATOM 104 CG GLU A 372 -2.689 7.654 -1.865 1.00 15.00 C ATOM 105 CD GLU A 372 -1.474 8.527 -2.096 1.00 15.00 C ATOM 106 OE1 GLU A 372 -0.880 8.447 -3.191 1.00 15.00 O1- ATOM 107 OE2 GLU A 372 -1.099 9.281 -1.172 1.00 15.00 O ATOM 0 H GLU A 372 -2.944 4.893 0.487 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.373 5.713 -1.959 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.606 6.076 -0.921 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.801 5.880 -2.651 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -3.390 7.782 -2.690 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -3.201 7.976 -0.958 1.00 15.00 H new ATOM 114 N GLU A 373 -4.217 3.459 -2.938 1.00 15.00 N ATOM 115 CA GLU A 373 -4.180 2.150 -3.572 1.00 15.00 C ATOM 116 C GLU A 373 -3.576 2.289 -4.951 1.00 15.00 C ATOM 117 O GLU A 373 -4.191 2.861 -5.853 1.00 15.00 O ATOM 118 CB GLU A 373 -5.594 1.607 -3.668 1.00 15.00 C ATOM 119 CG GLU A 373 -6.461 2.117 -2.538 1.00 15.00 C ATOM 120 CD GLU A 373 -7.917 1.736 -2.679 1.00 15.00 C ATOM 121 OE1 GLU A 373 -8.369 1.486 -3.819 1.00 15.00 O1- ATOM 122 OE2 GLU A 373 -8.612 1.656 -1.650 1.00 15.00 O ATOM 0 H GLU A 373 -5.051 4.003 -3.160 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.573 1.460 -2.985 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -6.032 1.896 -4.623 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.569 0.518 -3.646 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -6.081 1.727 -1.594 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.380 3.203 -2.490 1.00 15.00 H new ATOM 129 N ARG A 374 -2.366 1.798 -5.111 1.00 15.00 N ATOM 130 CA ARG A 374 -1.590 2.122 -6.288 1.00 15.00 C ATOM 131 C ARG A 374 -0.924 0.890 -6.887 1.00 15.00 C ATOM 132 O ARG A 374 -0.152 0.192 -6.223 1.00 15.00 O ATOM 133 CB ARG A 374 -0.556 3.180 -5.906 1.00 15.00 C ATOM 134 CG ARG A 374 -1.193 4.473 -5.405 1.00 15.00 C ATOM 135 CD ARG A 374 -0.209 5.315 -4.608 1.00 15.00 C ATOM 136 NE ARG A 374 1.078 5.460 -5.286 1.00 15.00 N ATOM 137 CZ ARG A 374 1.806 6.576 -5.277 1.00 15.00 C ATOM 138 NH1 ARG A 374 1.348 7.677 -4.690 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 2.999 6.589 -5.858 1.00 15.00 N ATOM 0 H ARG A 374 -1.902 1.178 -4.447 1.00 15.00 H new ATOM 0 HA ARG A 374 -2.254 2.513 -7.059 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.099 2.779 -5.132 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.070 3.400 -6.771 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -1.561 5.050 -6.254 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -2.056 4.236 -4.783 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -0.638 6.302 -4.433 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -0.052 4.858 -3.631 1.00 15.00 H new ATOM 0 HE ARG A 374 1.442 4.656 -5.798 1.00 15.00 H new ATOM 0 HH11 ARG A 374 0.432 7.672 -4.241 1.00 15.00 H new ATOM 0 HH12 ARG A 374 1.913 8.527 -4.688 1.00 15.00 H new ATOM 0 HH21 ARG A 374 3.356 5.747 -6.309 1.00 15.00 H new ATOM 0 HH22 ARG A 374 3.559 7.441 -5.853 1.00 15.00 H new ATOM 153 N LYS A 375 -1.251 0.623 -8.143 1.00 15.00 N ATOM 154 CA LYS A 375 -0.624 -0.453 -8.892 1.00 15.00 C ATOM 155 C LYS A 375 0.535 0.108 -9.709 1.00 15.00 C ATOM 156 O LYS A 375 0.344 0.968 -10.572 1.00 15.00 O ATOM 157 CB LYS A 375 -1.634 -1.152 -9.818 1.00 15.00 C ATOM 158 CG LYS A 375 -2.700 -1.968 -9.091 1.00 15.00 C ATOM 159 CD LYS A 375 -3.797 -1.099 -8.488 1.00 15.00 C ATOM 160 CE LYS A 375 -4.902 -0.778 -9.490 1.00 15.00 C ATOM 161 NZ LYS A 375 -4.439 0.091 -10.607 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.954 1.143 -8.668 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.252 -1.195 -8.186 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -2.127 -0.398 -10.432 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -1.091 -1.810 -10.496 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -3.146 -2.678 -9.788 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -2.228 -2.551 -8.300 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -4.228 -1.609 -7.627 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -3.361 -0.169 -8.122 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -5.295 -1.708 -9.900 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -5.724 -0.286 -8.971 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -5.256 0.575 -11.032 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -3.769 0.798 -10.242 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -3.968 -0.492 -11.328 1.00 15.00 H new ATOM 175 N ASP A 376 1.728 -0.378 -9.423 1.00 15.00 N ATOM 176 CA ASP A 376 2.944 0.141 -10.034 1.00 15.00 C ATOM 177 C ASP A 376 3.270 -0.608 -11.325 1.00 15.00 C ATOM 178 O ASP A 376 2.980 -1.796 -11.449 1.00 15.00 O ATOM 179 CB ASP A 376 4.101 0.022 -9.051 1.00 15.00 C ATOM 180 CG ASP A 376 5.169 1.065 -9.294 1.00 15.00 C ATOM 181 OD1 ASP A 376 5.577 1.241 -10.457 1.00 15.00 O ATOM 182 OD2 ASP A 376 5.620 1.692 -8.317 1.00 15.00 O1- ATOM 0 H ASP A 376 1.885 -1.140 -8.764 1.00 15.00 H new ATOM 0 HA ASP A 376 2.787 1.190 -10.284 1.00 15.00 H new ATOM 0 HB2 ASP A 376 3.723 0.123 -8.034 1.00 15.00 H new ATOM 0 HB3 ASP A 376 4.542 -0.972 -9.130 1.00 15.00 H new ATOM 187 N ALA A 377 3.917 0.090 -12.259 1.00 15.00 N ATOM 188 CA ALA A 377 4.147 -0.408 -13.618 1.00 15.00 C ATOM 189 C ALA A 377 4.964 -1.704 -13.657 1.00 15.00 C ATOM 190 O ALA A 377 4.834 -2.491 -14.594 1.00 15.00 O ATOM 191 CB ALA A 377 4.838 0.661 -14.451 1.00 15.00 C ATOM 0 H ALA A 377 4.299 1.021 -12.094 1.00 15.00 H new ATOM 0 HA ALA A 377 3.167 -0.640 -14.036 1.00 15.00 H new ATOM 0 HB1 ALA A 377 5.006 0.284 -15.460 1.00 15.00 H new ATOM 0 HB2 ALA A 377 4.209 1.550 -14.496 1.00 15.00 H new ATOM 0 HB3 ALA A 377 5.795 0.916 -13.995 1.00 15.00 H new ATOM 197 N LYS A 378 5.801 -1.930 -12.646 1.00 15.00 N ATOM 198 CA LYS A 378 6.584 -3.171 -12.570 1.00 15.00 C ATOM 199 C LYS A 378 5.666 -4.351 -12.278 1.00 15.00 C ATOM 200 O LYS A 378 6.056 -5.510 -12.403 1.00 15.00 O ATOM 201 CB LYS A 378 7.668 -3.124 -11.486 1.00 15.00 C ATOM 202 CG LYS A 378 8.382 -1.793 -11.337 1.00 15.00 C ATOM 203 CD LYS A 378 7.687 -0.929 -10.305 1.00 15.00 C ATOM 204 CE LYS A 378 8.640 0.087 -9.691 1.00 15.00 C ATOM 205 NZ LYS A 378 8.106 0.658 -8.426 1.00 15.00 N1+ ATOM 0 H LYS A 378 5.957 -1.281 -11.875 1.00 15.00 H new ATOM 0 HA LYS A 378 7.074 -3.286 -13.537 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.213 -3.382 -10.530 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.410 -3.893 -11.704 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.418 -1.961 -11.041 1.00 15.00 H new ATOM 0 HG3 LYS A 378 8.404 -1.276 -12.297 1.00 15.00 H new ATOM 0 HD2 LYS A 378 6.850 -0.409 -10.770 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.273 -1.561 -9.520 1.00 15.00 H new ATOM 0 HE2 LYS A 378 9.601 -0.389 -9.497 1.00 15.00 H new ATOM 0 HE3 LYS A 378 8.821 0.891 -10.404 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 8.884 1.082 -7.881 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 7.399 1.389 -8.646 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 7.661 -0.096 -7.865 1.00 15.00 H new ATOM 219 N GLY A 379 4.454 -4.032 -11.859 1.00 15.00 N ATOM 220 CA GLY A 379 3.549 -5.025 -11.342 1.00 15.00 C ATOM 221 C GLY A 379 3.706 -5.168 -9.850 1.00 15.00 C ATOM 222 O GLY A 379 4.006 -6.245 -9.336 1.00 15.00 O ATOM 0 H GLY A 379 4.078 -3.084 -11.870 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.522 -4.746 -11.579 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.739 -5.983 -11.826 1.00 15.00 H new ATOM 226 N ARG A 380 3.515 -4.049 -9.164 1.00 15.00 N ATOM 227 CA ARG A 380 3.627 -3.984 -7.717 1.00 15.00 C ATOM 228 C ARG A 380 2.339 -3.408 -7.143 1.00 15.00 C ATOM 229 O ARG A 380 2.031 -2.236 -7.353 1.00 15.00 O ATOM 230 CB ARG A 380 4.811 -3.096 -7.315 1.00 15.00 C ATOM 231 CG ARG A 380 6.101 -3.416 -8.054 1.00 15.00 C ATOM 232 CD ARG A 380 6.701 -4.738 -7.611 1.00 15.00 C ATOM 233 NE ARG A 380 7.202 -4.684 -6.238 1.00 15.00 N ATOM 234 CZ ARG A 380 7.579 -5.755 -5.543 1.00 15.00 C ATOM 235 NH1 ARG A 380 7.509 -6.964 -6.087 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 8.038 -5.617 -4.307 1.00 15.00 N ATOM 0 H ARG A 380 3.277 -3.158 -9.600 1.00 15.00 H new ATOM 0 HA ARG A 380 3.793 -4.987 -7.324 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.549 -2.054 -7.497 1.00 15.00 H new ATOM 0 HB3 ARG A 380 4.983 -3.199 -6.244 1.00 15.00 H new ATOM 0 HG2 ARG A 380 5.906 -3.448 -9.126 1.00 15.00 H new ATOM 0 HG3 ARG A 380 6.822 -2.617 -7.886 1.00 15.00 H new ATOM 0 HD2 ARG A 380 5.948 -5.522 -7.691 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.515 -5.009 -8.283 1.00 15.00 H new ATOM 0 HE ARG A 380 7.266 -3.772 -5.786 1.00 15.00 H new ATOM 0 HH11 ARG A 380 7.165 -7.075 -7.041 1.00 15.00 H new ATOM 0 HH12 ARG A 380 7.799 -7.782 -5.551 1.00 15.00 H new ATOM 0 HH21 ARG A 380 8.103 -4.689 -3.888 1.00 15.00 H new ATOM 0 HH22 ARG A 380 8.327 -6.438 -3.775 1.00 15.00 H new ATOM 250 N THR A 381 1.568 -4.235 -6.462 1.00 15.00 N ATOM 251 CA THR A 381 0.302 -3.799 -5.902 1.00 15.00 C ATOM 252 C THR A 381 0.434 -3.504 -4.411 1.00 15.00 C ATOM 253 O THR A 381 0.279 -4.396 -3.578 1.00 15.00 O ATOM 254 CB THR A 381 -0.794 -4.862 -6.127 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.309 -6.154 -5.735 1.00 15.00 O ATOM 256 CG2 THR A 381 -1.220 -4.903 -7.587 1.00 15.00 C ATOM 0 H THR A 381 1.796 -5.213 -6.283 1.00 15.00 H new ATOM 0 HA THR A 381 0.015 -2.881 -6.416 1.00 15.00 H new ATOM 0 HB THR A 381 -1.658 -4.593 -5.519 1.00 15.00 H new ATOM 0 HG1 THR A 381 0.079 -6.099 -4.837 1.00 15.00 H new ATOM 0 HG21 THR A 381 -1.993 -5.660 -7.719 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.612 -3.929 -7.879 1.00 15.00 H new ATOM 0 HG23 THR A 381 -0.360 -5.150 -8.210 1.00 15.00 H new ATOM 264 N TYR A 382 0.742 -2.257 -4.074 1.00 15.00 N ATOM 265 CA TYR A 382 0.899 -1.879 -2.684 1.00 15.00 C ATOM 266 C TYR A 382 -0.217 -0.945 -2.229 1.00 15.00 C ATOM 267 O TYR A 382 -0.453 0.112 -2.816 1.00 15.00 O ATOM 268 CB TYR A 382 2.285 -1.254 -2.432 1.00 15.00 C ATOM 269 CG TYR A 382 2.709 -0.172 -3.411 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.228 1.130 -3.308 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.616 -0.451 -4.427 1.00 15.00 C ATOM 272 CE1 TYR A 382 2.632 2.115 -4.192 1.00 15.00 C ATOM 273 CE2 TYR A 382 4.028 0.531 -5.310 1.00 15.00 C ATOM 274 CZ TYR A 382 3.535 1.811 -5.190 1.00 15.00 C ATOM 275 OH TYR A 382 3.942 2.794 -6.069 1.00 15.00 O ATOM 0 H TYR A 382 0.886 -1.499 -4.742 1.00 15.00 H new ATOM 0 HA TYR A 382 0.828 -2.788 -2.087 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.296 -0.833 -1.427 1.00 15.00 H new ATOM 0 HB3 TYR A 382 3.031 -2.049 -2.452 1.00 15.00 H new ATOM 0 HD1 TYR A 382 1.527 1.376 -2.524 1.00 15.00 H new ATOM 0 HD2 TYR A 382 4.006 -1.453 -4.529 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.242 3.118 -4.101 1.00 15.00 H new ATOM 0 HE2 TYR A 382 4.735 0.294 -6.092 1.00 15.00 H new ATOM 0 HH TYR A 382 4.483 2.393 -6.781 1.00 15.00 H new ATOM 285 N TYR A 383 -0.925 -1.369 -1.195 1.00 15.00 N ATOM 286 CA TYR A 383 -1.908 -0.524 -0.542 1.00 15.00 C ATOM 287 C TYR A 383 -1.261 0.130 0.669 1.00 15.00 C ATOM 288 O TYR A 383 -0.997 -0.539 1.666 1.00 15.00 O ATOM 289 CB TYR A 383 -3.133 -1.341 -0.104 1.00 15.00 C ATOM 290 CG TYR A 383 -3.876 -2.015 -1.239 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.363 -3.151 -1.854 1.00 15.00 C ATOM 292 CD2 TYR A 383 -5.096 -1.521 -1.688 1.00 15.00 C ATOM 293 CE1 TYR A 383 -4.039 -3.773 -2.884 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.781 -2.139 -2.718 1.00 15.00 C ATOM 295 CZ TYR A 383 -5.247 -3.265 -3.312 1.00 15.00 C ATOM 296 OH TYR A 383 -5.922 -3.883 -4.340 1.00 15.00 O ATOM 0 H TYR A 383 -0.835 -2.300 -0.788 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.248 0.237 -1.245 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -2.811 -2.103 0.606 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -3.823 -0.683 0.425 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.418 -3.554 -1.520 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.515 -0.640 -1.225 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -3.624 -4.653 -3.352 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.728 -1.743 -3.056 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.756 -3.401 -4.520 1.00 15.00 H new ATOM 306 N VAL A 384 -0.951 1.412 0.560 1.00 15.00 N ATOM 307 CA VAL A 384 -0.274 2.120 1.640 1.00 15.00 C ATOM 308 C VAL A 384 -1.228 3.051 2.381 1.00 15.00 C ATOM 309 O VAL A 384 -1.891 3.900 1.780 1.00 15.00 O ATOM 310 CB VAL A 384 0.947 2.928 1.138 1.00 15.00 C ATOM 311 CG1 VAL A 384 2.121 2.018 0.826 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.581 3.747 -0.081 1.00 15.00 C ATOM 0 H VAL A 384 -1.155 1.983 -0.260 1.00 15.00 H new ATOM 0 HA VAL A 384 0.083 1.353 2.327 1.00 15.00 H new ATOM 0 HB VAL A 384 1.247 3.605 1.938 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.962 2.616 0.476 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.411 1.476 1.726 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.834 1.307 0.051 1.00 15.00 H new ATOM 0 HG21 VAL A 384 1.453 4.307 -0.418 1.00 15.00 H new ATOM 0 HG22 VAL A 384 0.246 3.083 -0.878 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.220 4.441 0.174 1.00 15.00 H new ATOM 322 N ASN A 385 -1.297 2.872 3.689 1.00 15.00 N ATOM 323 CA ASN A 385 -2.151 3.688 4.536 1.00 15.00 C ATOM 324 C ASN A 385 -1.349 4.789 5.211 1.00 15.00 C ATOM 325 O ASN A 385 -0.366 4.516 5.905 1.00 15.00 O ATOM 326 CB ASN A 385 -2.820 2.822 5.601 1.00 15.00 C ATOM 327 CG ASN A 385 -3.738 3.622 6.506 1.00 15.00 C ATOM 328 OD1 ASN A 385 -4.258 4.666 6.121 1.00 15.00 O ATOM 329 ND2 ASN A 385 -3.947 3.135 7.718 1.00 15.00 N ATOM 0 H ASN A 385 -0.766 2.161 4.192 1.00 15.00 H new ATOM 0 HA ASN A 385 -2.915 4.144 3.906 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.392 2.031 5.115 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -2.053 2.336 6.204 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -4.558 3.630 8.368 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -3.498 2.265 8.002 1.00 15.00 H new ATOM 336 N HIS A 386 -1.790 6.026 5.019 1.00 15.00 N ATOM 337 CA HIS A 386 -1.142 7.181 5.627 1.00 15.00 C ATOM 338 C HIS A 386 -1.576 7.351 7.081 1.00 15.00 C ATOM 339 O HIS A 386 -0.946 8.086 7.842 1.00 15.00 O ATOM 340 CB HIS A 386 -1.472 8.468 4.857 1.00 15.00 C ATOM 341 CG HIS A 386 -0.912 8.537 3.469 1.00 15.00 C ATOM 342 ND1 HIS A 386 0.423 8.360 3.192 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.508 8.804 2.283 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.633 8.524 1.903 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.523 8.790 1.326 1.00 15.00 N ATOM 0 H HIS A 386 -2.600 6.256 4.443 1.00 15.00 H new ATOM 0 HA HIS A 386 -0.067 7.002 5.589 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.556 8.572 4.801 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -1.099 9.320 5.426 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -2.559 8.992 2.120 1.00 15.00 H new ATOM 0 HE1 HIS A 386 1.588 8.453 1.403 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.663 8.958 0.330 1.00 15.00 H new ATOM 354 N ASN A 387 -2.663 6.680 7.455 1.00 15.00 N ATOM 355 CA ASN A 387 -3.251 6.846 8.783 1.00 15.00 C ATOM 356 C ASN A 387 -2.381 6.216 9.874 1.00 15.00 C ATOM 357 O ASN A 387 -2.017 6.877 10.845 1.00 15.00 O ATOM 358 CB ASN A 387 -4.658 6.240 8.829 1.00 15.00 C ATOM 359 CG ASN A 387 -5.370 6.506 10.143 1.00 15.00 C ATOM 360 OD1 ASN A 387 -5.184 7.551 10.767 1.00 15.00 O ATOM 361 ND2 ASN A 387 -6.186 5.560 10.574 1.00 15.00 N ATOM 0 H ASN A 387 -3.155 6.016 6.857 1.00 15.00 H new ATOM 0 HA ASN A 387 -3.312 7.917 8.976 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -5.251 6.648 8.010 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -4.591 5.164 8.669 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -6.689 5.682 11.453 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -6.313 4.708 10.028 1.00 15.00 H new ATOM 368 N ASN A 388 -2.052 4.939 9.712 1.00 15.00 N ATOM 369 CA ASN A 388 -1.291 4.211 10.732 1.00 15.00 C ATOM 370 C ASN A 388 0.137 3.923 10.265 1.00 15.00 C ATOM 371 O ASN A 388 0.984 3.514 11.061 1.00 15.00 O ATOM 372 CB ASN A 388 -1.998 2.906 11.137 1.00 15.00 C ATOM 373 CG ASN A 388 -1.858 1.789 10.119 1.00 15.00 C ATOM 374 OD1 ASN A 388 -1.758 2.026 8.913 1.00 15.00 O ATOM 375 ND2 ASN A 388 -1.855 0.558 10.601 1.00 15.00 N ATOM 0 H ASN A 388 -2.297 4.386 8.891 1.00 15.00 H new ATOM 0 HA ASN A 388 -1.237 4.854 11.611 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -1.595 2.567 12.091 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -3.057 3.111 11.293 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -1.768 -0.237 9.968 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -1.940 0.403 11.606 1.00 15.00 H new ATOM 382 N ARG A 389 0.367 4.092 8.958 1.00 15.00 N ATOM 383 CA ARG A 389 1.660 3.811 8.321 1.00 15.00 C ATOM 384 C ARG A 389 1.845 2.306 8.155 1.00 15.00 C ATOM 385 O ARG A 389 2.622 1.668 8.865 1.00 15.00 O ATOM 386 CB ARG A 389 2.842 4.432 9.088 1.00 15.00 C ATOM 387 CG ARG A 389 2.705 5.930 9.312 1.00 15.00 C ATOM 388 CD ARG A 389 3.864 6.490 10.119 1.00 15.00 C ATOM 389 NE ARG A 389 3.585 7.849 10.584 1.00 15.00 N ATOM 390 CZ ARG A 389 4.512 8.716 10.996 1.00 15.00 C ATOM 391 NH1 ARG A 389 5.802 8.400 10.951 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 4.139 9.912 11.441 1.00 15.00 N ATOM 0 H ARG A 389 -0.343 4.430 8.308 1.00 15.00 H new ATOM 0 HA ARG A 389 1.650 4.280 7.337 1.00 15.00 H new ATOM 0 HB2 ARG A 389 2.938 3.936 10.054 1.00 15.00 H new ATOM 0 HB3 ARG A 389 3.763 4.238 8.538 1.00 15.00 H new ATOM 0 HG2 ARG A 389 2.654 6.438 8.349 1.00 15.00 H new ATOM 0 HG3 ARG A 389 1.769 6.135 9.831 1.00 15.00 H new ATOM 0 HD2 ARG A 389 4.059 5.844 10.975 1.00 15.00 H new ATOM 0 HD3 ARG A 389 4.767 6.491 9.509 1.00 15.00 H new ATOM 0 HE ARG A 389 2.612 8.156 10.594 1.00 15.00 H new ATOM 0 HH11 ARG A 389 6.092 7.487 10.599 1.00 15.00 H new ATOM 0 HH12 ARG A 389 6.503 9.070 11.268 1.00 15.00 H new ATOM 0 HH21 ARG A 389 3.150 10.161 11.466 1.00 15.00 H new ATOM 0 HH22 ARG A 389 4.842 10.580 11.758 1.00 15.00 H new ATOM 406 N THR A 390 1.063 1.735 7.253 1.00 15.00 N ATOM 407 CA THR A 390 1.086 0.304 7.001 1.00 15.00 C ATOM 408 C THR A 390 0.719 0.015 5.550 1.00 15.00 C ATOM 409 O THR A 390 -0.141 0.682 4.980 1.00 15.00 O ATOM 410 CB THR A 390 0.115 -0.428 7.955 1.00 15.00 C ATOM 411 OG1 THR A 390 0.630 -0.381 9.291 1.00 15.00 O ATOM 412 CG2 THR A 390 -0.119 -1.876 7.541 1.00 15.00 C ATOM 0 H THR A 390 0.397 2.249 6.677 1.00 15.00 H new ATOM 0 HA THR A 390 2.096 -0.063 7.185 1.00 15.00 H new ATOM 0 HB THR A 390 -0.846 0.083 7.905 1.00 15.00 H new ATOM 0 HG1 THR A 390 1.436 0.176 9.311 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.808 -2.348 8.242 1.00 15.00 H new ATOM 0 HG22 THR A 390 -0.546 -1.903 6.538 1.00 15.00 H new ATOM 0 HG23 THR A 390 0.829 -2.414 7.546 1.00 15.00 H new ATOM 420 N THR A 391 1.389 -0.955 4.951 1.00 15.00 N ATOM 421 CA THR A 391 1.087 -1.353 3.592 1.00 15.00 C ATOM 422 C THR A 391 0.953 -2.871 3.512 1.00 15.00 C ATOM 423 O THR A 391 1.656 -3.602 4.214 1.00 15.00 O ATOM 424 CB THR A 391 2.153 -0.840 2.597 1.00 15.00 C ATOM 425 OG1 THR A 391 1.867 -1.315 1.277 1.00 15.00 O ATOM 426 CG2 THR A 391 3.554 -1.266 3.008 1.00 15.00 C ATOM 0 H THR A 391 2.146 -1.480 5.388 1.00 15.00 H new ATOM 0 HA THR A 391 0.138 -0.899 3.308 1.00 15.00 H new ATOM 0 HB THR A 391 2.116 0.249 2.606 1.00 15.00 H new ATOM 0 HG1 THR A 391 0.898 -1.309 1.130 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.276 -0.887 2.285 1.00 15.00 H new ATOM 0 HG22 THR A 391 3.782 -0.862 3.994 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.609 -2.354 3.040 1.00 15.00 H new ATOM 434 N THR A 392 0.033 -3.339 2.682 1.00 15.00 N ATOM 435 CA THR A 392 -0.282 -4.755 2.608 1.00 15.00 C ATOM 436 C THR A 392 -0.661 -5.165 1.185 1.00 15.00 C ATOM 437 O THR A 392 -1.164 -4.349 0.407 1.00 15.00 O ATOM 438 CB THR A 392 -1.423 -5.123 3.584 1.00 15.00 C ATOM 439 OG1 THR A 392 -1.657 -6.536 3.562 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.708 -4.379 3.241 1.00 15.00 C ATOM 0 H THR A 392 -0.510 -2.754 2.047 1.00 15.00 H new ATOM 0 HA THR A 392 0.615 -5.302 2.898 1.00 15.00 H new ATOM 0 HB THR A 392 -1.114 -4.824 4.586 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.086 -6.810 4.400 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.490 -4.660 3.946 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.534 -3.305 3.302 1.00 15.00 H new ATOM 0 HG23 THR A 392 -3.020 -4.639 2.230 1.00 15.00 H new ATOM 448 N TRP A 393 -0.376 -6.422 0.841 1.00 15.00 N ATOM 449 CA TRP A 393 -0.705 -6.961 -0.479 1.00 15.00 C ATOM 450 C TRP A 393 -2.205 -7.245 -0.601 1.00 15.00 C ATOM 451 O TRP A 393 -2.734 -7.381 -1.705 1.00 15.00 O ATOM 452 CB TRP A 393 0.066 -8.264 -0.749 1.00 15.00 C ATOM 453 CG TRP A 393 1.556 -8.162 -0.573 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.317 -8.797 0.371 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.467 -7.385 -1.359 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.637 -8.462 0.212 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.755 -7.591 -0.834 1.00 15.00 C ATOM 458 CE3 TRP A 393 2.318 -6.535 -2.452 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.885 -6.974 -1.361 1.00 15.00 C ATOM 460 CZ3 TRP A 393 3.440 -5.919 -2.979 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.711 -6.139 -2.431 1.00 15.00 C ATOM 0 H TRP A 393 0.084 -7.088 1.462 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.418 -6.208 -1.213 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.312 -9.039 -0.082 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.144 -8.590 -1.768 1.00 15.00 H new ATOM 0 HD1 TRP A 393 1.934 -9.464 1.129 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.408 -8.808 0.783 1.00 15.00 H new ATOM 0 HE3 TRP A 393 1.343 -6.359 -2.882 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.865 -7.148 -0.941 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 3.334 -5.258 -3.826 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.568 -5.641 -2.861 1.00 15.00 H new ATOM 472 N THR A 394 -2.884 -7.352 0.539 1.00 15.00 N ATOM 473 CA THR A 394 -4.287 -7.747 0.552 1.00 15.00 C ATOM 474 C THR A 394 -5.206 -6.536 0.375 1.00 15.00 C ATOM 475 O THR A 394 -4.858 -5.414 0.747 1.00 15.00 O ATOM 476 CB THR A 394 -4.654 -8.512 1.852 1.00 15.00 C ATOM 477 OG1 THR A 394 -5.934 -9.143 1.707 1.00 15.00 O ATOM 478 CG2 THR A 394 -4.683 -7.587 3.062 1.00 15.00 C ATOM 0 H THR A 394 -2.486 -7.171 1.461 1.00 15.00 H new ATOM 0 HA THR A 394 -4.436 -8.421 -0.292 1.00 15.00 H new ATOM 0 HB THR A 394 -3.884 -9.265 2.017 1.00 15.00 H new ATOM 0 HG1 THR A 394 -6.157 -9.625 2.531 1.00 15.00 H new ATOM 0 HG21 THR A 394 -4.944 -8.160 3.952 1.00 15.00 H new ATOM 0 HG22 THR A 394 -3.701 -7.134 3.197 1.00 15.00 H new ATOM 0 HG23 THR A 394 -5.425 -6.804 2.904 1.00 15.00 H new ATOM 486 N ARG A 395 -6.371 -6.773 -0.222 1.00 15.00 N ATOM 487 CA ARG A 395 -7.338 -5.714 -0.480 1.00 15.00 C ATOM 488 C ARG A 395 -8.142 -5.385 0.779 1.00 15.00 C ATOM 489 O ARG A 395 -8.890 -6.224 1.280 1.00 15.00 O ATOM 490 CB ARG A 395 -8.286 -6.133 -1.613 1.00 15.00 C ATOM 491 CG ARG A 395 -9.423 -5.149 -1.857 1.00 15.00 C ATOM 492 CD ARG A 395 -8.898 -3.786 -2.263 1.00 15.00 C ATOM 493 NE ARG A 395 -9.574 -2.703 -1.558 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.482 -1.423 -1.909 1.00 15.00 C ATOM 495 NH1 ARG A 395 -8.917 -1.086 -3.064 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -10.002 -0.486 -1.135 1.00 15.00 N ATOM 0 H ARG A 395 -6.668 -7.696 -0.537 1.00 15.00 H new ATOM 0 HA ARG A 395 -6.792 -4.820 -0.779 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -7.711 -6.245 -2.532 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -8.708 -7.111 -1.379 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -10.079 -5.535 -2.637 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -10.024 -5.054 -0.953 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.828 -3.736 -2.062 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -9.027 -3.654 -3.337 1.00 15.00 H new ATOM 0 HE ARG A 395 -10.150 -2.940 -0.750 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -8.553 -1.810 -3.684 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -8.848 -0.104 -3.331 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -10.474 -0.744 -0.268 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -9.931 0.495 -1.404 1.00 15.00 H new ATOM 510 N PRO A 396 -7.991 -4.159 1.306 1.00 15.00 N ATOM 511 CA PRO A 396 -8.773 -3.692 2.449 1.00 15.00 C ATOM 512 C PRO A 396 -10.192 -3.291 2.045 1.00 15.00 C ATOM 513 O PRO A 396 -10.387 -2.485 1.131 1.00 15.00 O ATOM 514 CB PRO A 396 -7.987 -2.475 2.937 1.00 15.00 C ATOM 515 CG PRO A 396 -7.304 -1.950 1.722 1.00 15.00 C ATOM 516 CD PRO A 396 -7.032 -3.139 0.837 1.00 15.00 C ATOM 0 HA PRO A 396 -8.899 -4.464 3.208 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -8.648 -1.726 3.374 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -7.267 -2.752 3.707 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -7.931 -1.220 1.209 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -6.376 -1.443 1.987 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.188 -2.898 -0.215 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -6.003 -3.483 0.936 1.00 15.00 H new ATOM 524 N ILE A 397 -11.180 -3.883 2.697 1.00 15.00 N ATOM 525 CA ILE A 397 -12.573 -3.552 2.430 1.00 15.00 C ATOM 526 C ILE A 397 -13.040 -2.416 3.331 1.00 15.00 C ATOM 527 O ILE A 397 -13.466 -1.364 2.854 1.00 15.00 O ATOM 528 CB ILE A 397 -13.498 -4.773 2.618 1.00 15.00 C ATOM 529 CG1 ILE A 397 -13.088 -5.895 1.660 1.00 15.00 C ATOM 530 CG2 ILE A 397 -14.955 -4.382 2.393 1.00 15.00 C ATOM 531 CD1 ILE A 397 -13.956 -7.131 1.762 1.00 15.00 C ATOM 0 H ILE A 397 -11.045 -4.595 3.415 1.00 15.00 H new ATOM 0 HA ILE A 397 -12.632 -3.235 1.389 1.00 15.00 H new ATOM 0 HB ILE A 397 -13.397 -5.133 3.642 1.00 15.00 H new ATOM 0 HG12 ILE A 397 -13.125 -5.519 0.638 1.00 15.00 H new ATOM 0 HG13 ILE A 397 -12.053 -6.171 1.860 1.00 15.00 H new ATOM 0 HG21 ILE A 397 -15.592 -5.256 2.530 1.00 15.00 H new ATOM 0 HG22 ILE A 397 -15.239 -3.610 3.108 1.00 15.00 H new ATOM 0 HG23 ILE A 397 -15.077 -4.000 1.380 1.00 15.00 H new ATOM 0 HD11 ILE A 397 -13.605 -7.882 1.054 1.00 15.00 H new ATOM 0 HD12 ILE A 397 -13.900 -7.532 2.774 1.00 15.00 H new ATOM 0 HD13 ILE A 397 -14.989 -6.870 1.532 1.00 15.00 H new ATOM 543 N GLY A 398 -12.962 -2.642 4.636 1.00 15.00 N ATOM 544 CA GLY A 398 -13.362 -1.628 5.586 1.00 15.00 C ATOM 545 C GLY A 398 -12.206 -0.730 5.968 1.00 15.00 C ATOM 546 O GLY A 398 -11.055 -1.209 5.968 1.00 15.00 O ATOM 547 OXT GLY A 398 -12.442 0.455 6.280 1.00 15.00 O ATOM 0 H GLY A 398 -12.628 -3.511 5.052 1.00 15.00 H new ATOM 0 HA2 GLY A 398 -14.164 -1.026 5.159 1.00 15.00 H new ATOM 0 HA3 GLY A 398 -13.763 -2.105 6.480 1.00 15.00 H new TER 551 GLY A 398 ATOM 552 N GLU B 203 0.549 -13.613 -4.086 1.00 15.00 N ATOM 553 CA GLU B 203 1.756 -12.788 -4.322 1.00 15.00 C ATOM 554 C GLU B 203 2.996 -13.486 -3.766 1.00 15.00 C ATOM 555 O GLU B 203 4.047 -13.482 -4.407 1.00 15.00 O ATOM 556 CB GLU B 203 1.604 -11.368 -3.721 1.00 15.00 C ATOM 557 CG GLU B 203 1.503 -11.298 -2.199 1.00 15.00 C ATOM 558 CD GLU B 203 0.362 -12.118 -1.631 1.00 15.00 C ATOM 559 OE1 GLU B 203 0.540 -13.347 -1.479 1.00 15.00 O1- ATOM 560 OE2 GLU B 203 -0.710 -11.558 -1.371 1.00 15.00 O ATOM 0 HA GLU B 203 1.876 -12.673 -5.399 1.00 15.00 H new ATOM 0 HB2 GLU B 203 2.456 -10.767 -4.038 1.00 15.00 H new ATOM 0 HB3 GLU B 203 0.713 -10.907 -4.147 1.00 15.00 H new ATOM 0 HG2 GLU B 203 2.441 -11.644 -1.764 1.00 15.00 H new ATOM 0 HG3 GLU B 203 1.377 -10.258 -1.898 1.00 15.00 H new ATOM 569 N LEU B 204 2.869 -14.075 -2.568 1.00 15.00 N ATOM 570 CA LEU B 204 3.963 -14.807 -1.919 1.00 15.00 C ATOM 571 C LEU B 204 5.207 -13.931 -1.797 1.00 15.00 C ATOM 572 O LEU B 204 6.327 -14.428 -1.681 1.00 15.00 O ATOM 573 CB LEU B 204 4.288 -16.086 -2.700 1.00 15.00 C ATOM 574 CG LEU B 204 3.152 -17.110 -2.778 1.00 15.00 C ATOM 575 CD1 LEU B 204 3.592 -18.337 -3.559 1.00 15.00 C ATOM 576 CD2 LEU B 204 2.690 -17.507 -1.384 1.00 15.00 C ATOM 0 H LEU B 204 2.006 -14.057 -2.024 1.00 15.00 H new ATOM 0 HA LEU B 204 3.639 -15.082 -0.915 1.00 15.00 H new ATOM 0 HB2 LEU B 204 4.577 -15.810 -3.714 1.00 15.00 H new ATOM 0 HB3 LEU B 204 5.154 -16.563 -2.241 1.00 15.00 H new ATOM 0 HG LEU B 204 2.314 -16.649 -3.300 1.00 15.00 H new ATOM 0 HD11 LEU B 204 2.772 -19.053 -3.604 1.00 15.00 H new ATOM 0 HD12 LEU B 204 3.873 -18.043 -4.570 1.00 15.00 H new ATOM 0 HD13 LEU B 204 4.448 -18.796 -3.064 1.00 15.00 H new ATOM 0 HD21 LEU B 204 1.883 -18.235 -1.462 1.00 15.00 H new ATOM 0 HD22 LEU B 204 3.523 -17.947 -0.836 1.00 15.00 H new ATOM 0 HD23 LEU B 204 2.333 -16.624 -0.854 1.00 15.00 H new ATOM 588 N GLU B 205 4.988 -12.627 -1.784 1.00 15.00 N ATOM 589 CA GLU B 205 6.069 -11.660 -1.742 1.00 15.00 C ATOM 590 C GLU B 205 6.453 -11.344 -0.309 1.00 15.00 C ATOM 591 O GLU B 205 5.647 -11.497 0.612 1.00 15.00 O ATOM 592 CB GLU B 205 5.637 -10.364 -2.434 1.00 15.00 C ATOM 593 CG GLU B 205 5.393 -10.508 -3.925 1.00 15.00 C ATOM 594 CD GLU B 205 6.655 -10.839 -4.687 1.00 15.00 C ATOM 595 OE1 GLU B 205 6.977 -12.034 -4.820 1.00 15.00 O ATOM 596 OE2 GLU B 205 7.332 -9.901 -5.165 1.00 15.00 O1- ATOM 0 H GLU B 205 4.057 -12.211 -1.802 1.00 15.00 H new ATOM 0 HA GLU B 205 6.928 -12.091 -2.257 1.00 15.00 H new ATOM 0 HB2 GLU B 205 4.725 -9.999 -1.961 1.00 15.00 H new ATOM 0 HB3 GLU B 205 6.404 -9.606 -2.274 1.00 15.00 H new ATOM 0 HG2 GLU B 205 4.654 -11.290 -4.095 1.00 15.00 H new ATOM 0 HG3 GLU B 205 4.971 -9.581 -4.312 1.00 15.00 H new ATOM 603 N SER B 206 7.684 -10.900 -0.130 1.00 15.00 N ATOM 604 CA SER B 206 8.101 -10.310 1.124 1.00 15.00 C ATOM 605 C SER B 206 7.222 -9.092 1.395 1.00 15.00 C ATOM 606 O SER B 206 6.782 -8.438 0.449 1.00 15.00 O ATOM 607 CB SER B 206 9.568 -9.898 1.022 1.00 15.00 C ATOM 608 OG SER B 206 10.354 -10.956 0.497 1.00 15.00 O ATOM 0 H SER B 206 8.413 -10.938 -0.842 1.00 15.00 H new ATOM 0 HA SER B 206 7.997 -11.024 1.941 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.660 -9.019 0.383 1.00 15.00 H new ATOM 0 HB3 SER B 206 9.941 -9.617 2.007 1.00 15.00 H new ATOM 0 HG SER B 206 11.290 -10.670 0.438 1.00 15.00 H new ATOM 614 N PRO B 207 6.950 -8.771 2.669 1.00 15.00 N ATOM 615 CA PRO B 207 6.110 -7.622 3.031 1.00 15.00 C ATOM 616 C PRO B 207 6.534 -6.352 2.295 1.00 15.00 C ATOM 617 O PRO B 207 7.732 -6.086 2.163 1.00 15.00 O ATOM 618 CB PRO B 207 6.353 -7.484 4.530 1.00 15.00 C ATOM 619 CG PRO B 207 6.646 -8.869 4.977 1.00 15.00 C ATOM 620 CD PRO B 207 7.416 -9.508 3.855 1.00 15.00 C ATOM 0 HA PRO B 207 5.063 -7.767 2.766 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.186 -6.813 4.739 1.00 15.00 H new ATOM 0 HB3 PRO B 207 5.480 -7.077 5.040 1.00 15.00 H new ATOM 0 HG2 PRO B 207 7.228 -8.867 5.899 1.00 15.00 H new ATOM 0 HG3 PRO B 207 5.726 -9.417 5.181 1.00 15.00 H new ATOM 0 HD2 PRO B 207 8.492 -9.407 3.996 1.00 15.00 H new ATOM 0 HD3 PRO B 207 7.204 -10.574 3.776 1.00 15.00 H new ATOM 628 N PRO B 208 5.553 -5.549 1.825 1.00 15.00 N ATOM 629 CA PRO B 208 5.810 -4.401 0.942 1.00 15.00 C ATOM 630 C PRO B 208 6.924 -3.478 1.433 1.00 15.00 C ATOM 631 O PRO B 208 7.148 -3.333 2.640 1.00 15.00 O ATOM 632 CB PRO B 208 4.480 -3.652 0.945 1.00 15.00 C ATOM 633 CG PRO B 208 3.455 -4.686 1.221 1.00 15.00 C ATOM 634 CD PRO B 208 4.112 -5.696 2.120 1.00 15.00 C ATOM 0 HA PRO B 208 6.147 -4.735 -0.039 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.468 -2.872 1.707 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.300 -3.164 -0.013 1.00 15.00 H new ATOM 0 HG2 PRO B 208 2.580 -4.248 1.701 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.113 -5.152 0.297 1.00 15.00 H new ATOM 0 HD2 PRO B 208 3.897 -5.497 3.170 1.00 15.00 H new ATOM 0 HD3 PRO B 208 3.762 -6.706 1.909 1.00 15.00 H new ATOM 642 N PRO B 209 7.610 -2.824 0.477 1.00 15.00 N ATOM 643 CA PRO B 209 8.732 -1.918 0.751 1.00 15.00 C ATOM 644 C PRO B 209 8.415 -0.895 1.847 1.00 15.00 C ATOM 645 O PRO B 209 7.302 -0.362 1.901 1.00 15.00 O ATOM 646 CB PRO B 209 8.966 -1.209 -0.595 1.00 15.00 C ATOM 647 CG PRO B 209 7.839 -1.615 -1.484 1.00 15.00 C ATOM 648 CD PRO B 209 7.346 -2.924 -0.962 1.00 15.00 C ATOM 0 HA PRO B 209 9.603 -2.461 1.119 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.989 -0.127 -0.466 1.00 15.00 H new ATOM 0 HB3 PRO B 209 9.925 -1.499 -1.026 1.00 15.00 H new ATOM 0 HG2 PRO B 209 7.046 -0.868 -1.472 1.00 15.00 H new ATOM 0 HG3 PRO B 209 8.173 -1.709 -2.517 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.286 -3.068 -1.169 1.00 15.00 H new ATOM 0 HD3 PRO B 209 7.875 -3.764 -1.412 1.00 15.00 H new ATOM 656 N PRO B 210 9.399 -0.609 2.731 1.00 15.00 N ATOM 657 CA PRO B 210 9.214 0.293 3.876 1.00 15.00 C ATOM 658 C PRO B 210 8.559 1.624 3.508 1.00 15.00 C ATOM 659 O PRO B 210 9.061 2.377 2.672 1.00 15.00 O ATOM 660 CB PRO B 210 10.638 0.534 4.377 1.00 15.00 C ATOM 661 CG PRO B 210 11.401 -0.672 3.961 1.00 15.00 C ATOM 662 CD PRO B 210 10.773 -1.152 2.681 1.00 15.00 C ATOM 0 HA PRO B 210 8.544 -0.149 4.614 1.00 15.00 H new ATOM 0 HB2 PRO B 210 11.062 1.439 3.942 1.00 15.00 H new ATOM 0 HB3 PRO B 210 10.660 0.661 5.459 1.00 15.00 H new ATOM 0 HG2 PRO B 210 12.454 -0.433 3.811 1.00 15.00 H new ATOM 0 HG3 PRO B 210 11.356 -1.444 4.729 1.00 15.00 H new ATOM 0 HD2 PRO B 210 11.315 -0.786 1.809 1.00 15.00 H new ATOM 0 HD3 PRO B 210 10.770 -2.240 2.621 1.00 15.00 H new ATOM 670 N TYR B 211 7.438 1.900 4.149 1.00 15.00 N ATOM 671 CA TYR B 211 6.712 3.138 3.941 1.00 15.00 C ATOM 672 C TYR B 211 6.930 4.091 5.113 1.00 15.00 C ATOM 673 O TYR B 211 6.736 3.714 6.270 1.00 15.00 O ATOM 674 CB TYR B 211 5.214 2.841 3.769 1.00 15.00 C ATOM 675 CG TYR B 211 4.332 4.036 4.045 1.00 15.00 C ATOM 676 CD1 TYR B 211 4.186 5.053 3.113 1.00 15.00 C ATOM 677 CD2 TYR B 211 3.667 4.160 5.259 1.00 15.00 C ATOM 678 CE1 TYR B 211 3.410 6.162 3.391 1.00 15.00 C ATOM 679 CE2 TYR B 211 2.887 5.260 5.532 1.00 15.00 C ATOM 680 CZ TYR B 211 2.764 6.254 4.605 1.00 15.00 C ATOM 681 OH TYR B 211 2.014 7.359 4.914 1.00 15.00 O ATOM 0 H TYR B 211 7.006 1.273 4.828 1.00 15.00 H new ATOM 0 HA TYR B 211 7.087 3.616 3.036 1.00 15.00 H new ATOM 0 HB2 TYR B 211 5.034 2.493 2.752 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.933 2.028 4.439 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.685 4.977 2.158 1.00 15.00 H new ATOM 0 HD2 TYR B 211 3.764 3.380 6.000 1.00 15.00 H new ATOM 0 HE1 TYR B 211 3.310 6.952 2.661 1.00 15.00 H new ATOM 0 HE2 TYR B 211 2.373 5.337 6.479 1.00 15.00 H new ATOM 0 HH TYR B 211 1.537 7.664 4.114 1.00 15.00 H new ATOM 691 N SER B 212 7.330 5.320 4.810 1.00 15.00 N ATOM 692 CA SER B 212 7.454 6.349 5.832 1.00 15.00 C ATOM 693 C SER B 212 6.341 7.388 5.667 1.00 15.00 C ATOM 694 O SER B 212 5.356 7.381 6.407 1.00 15.00 O ATOM 695 CB SER B 212 8.835 7.015 5.744 1.00 15.00 C ATOM 696 OG SER B 212 8.996 8.017 6.737 1.00 15.00 O ATOM 0 H SER B 212 7.573 5.627 3.868 1.00 15.00 H new ATOM 0 HA SER B 212 7.355 5.890 6.815 1.00 15.00 H new ATOM 0 HB2 SER B 212 9.612 6.259 5.859 1.00 15.00 H new ATOM 0 HB3 SER B 212 8.964 7.457 4.756 1.00 15.00 H new ATOM 0 HG SER B 212 9.886 8.420 6.654 1.00 15.00 H new ATOM 702 N ARG B 213 6.475 8.256 4.667 1.00 15.00 N ATOM 703 CA ARG B 213 5.434 9.239 4.375 1.00 15.00 C ATOM 704 C ARG B 213 4.883 9.077 2.959 1.00 15.00 C ATOM 705 O ARG B 213 3.672 9.143 2.747 1.00 15.00 O ATOM 706 CB ARG B 213 5.947 10.665 4.573 1.00 15.00 C ATOM 707 CG ARG B 213 4.859 11.719 4.455 1.00 15.00 C ATOM 708 CD ARG B 213 3.827 11.570 5.563 1.00 15.00 C ATOM 709 NE ARG B 213 2.677 12.450 5.368 1.00 15.00 N ATOM 710 CZ ARG B 213 2.001 13.026 6.364 1.00 15.00 C ATOM 711 NH1 ARG B 213 2.396 12.879 7.623 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 0.934 13.764 6.098 1.00 15.00 N ATOM 0 H ARG B 213 7.286 8.299 4.050 1.00 15.00 H new ATOM 0 HA ARG B 213 4.623 9.057 5.080 1.00 15.00 H new ATOM 0 HB2 ARG B 213 6.413 10.743 5.555 1.00 15.00 H new ATOM 0 HB3 ARG B 213 6.723 10.870 3.835 1.00 15.00 H new ATOM 0 HG2 ARG B 213 5.305 12.713 4.501 1.00 15.00 H new ATOM 0 HG3 ARG B 213 4.370 11.634 3.485 1.00 15.00 H new ATOM 0 HD2 ARG B 213 3.488 10.535 5.604 1.00 15.00 H new ATOM 0 HD3 ARG B 213 4.293 11.791 6.523 1.00 15.00 H new ATOM 0 HE ARG B 213 2.372 12.635 4.412 1.00 15.00 H new ATOM 0 HH11 ARG B 213 3.223 12.322 7.836 1.00 15.00 H new ATOM 0 HH12 ARG B 213 1.872 13.323 8.377 1.00 15.00 H new ATOM 0 HH21 ARG B 213 0.630 13.892 5.133 1.00 15.00 H new ATOM 0 HH22 ARG B 213 0.416 14.205 6.858 1.00 15.00 H new ATOM 726 N TYR B 214 5.770 8.920 1.987 1.00 15.00 N ATOM 727 CA TYR B 214 5.358 8.675 0.617 1.00 15.00 C ATOM 728 C TYR B 214 5.627 7.226 0.232 1.00 15.00 C ATOM 729 O TYR B 214 6.665 6.667 0.589 1.00 15.00 O ATOM 730 CB TYR B 214 6.092 9.615 -0.344 1.00 15.00 C ATOM 731 CG TYR B 214 5.666 11.060 -0.225 1.00 15.00 C ATOM 732 CD1 TYR B 214 4.473 11.498 -0.786 1.00 15.00 C ATOM 733 CD2 TYR B 214 6.454 11.984 0.448 1.00 15.00 C ATOM 734 CE1 TYR B 214 4.078 12.817 -0.681 1.00 15.00 C ATOM 735 CE2 TYR B 214 6.066 13.306 0.556 1.00 15.00 C ATOM 736 CZ TYR B 214 4.878 13.717 -0.009 1.00 15.00 C ATOM 737 OH TYR B 214 4.493 15.034 0.094 1.00 15.00 O ATOM 0 H TYR B 214 6.780 8.958 2.124 1.00 15.00 H new ATOM 0 HA TYR B 214 4.288 8.867 0.544 1.00 15.00 H new ATOM 0 HB2 TYR B 214 7.164 9.545 -0.159 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.923 9.279 -1.367 1.00 15.00 H new ATOM 0 HD1 TYR B 214 3.844 10.795 -1.313 1.00 15.00 H new ATOM 0 HD2 TYR B 214 7.384 11.665 0.894 1.00 15.00 H new ATOM 0 HE1 TYR B 214 3.148 13.142 -1.123 1.00 15.00 H new ATOM 0 HE2 TYR B 214 6.691 14.014 1.081 1.00 15.00 H new ATOM 0 HH TYR B 214 5.168 15.534 0.599 1.00 15.00 H new ATOM 747 N PRO B 215 4.700 6.608 -0.513 1.00 15.00 N ATOM 748 CA PRO B 215 4.852 5.229 -0.978 1.00 15.00 C ATOM 749 C PRO B 215 5.938 5.104 -2.039 1.00 15.00 C ATOM 750 O PRO B 215 5.975 5.875 -3.004 1.00 15.00 O ATOM 751 CB PRO B 215 3.482 4.899 -1.573 1.00 15.00 C ATOM 752 CG PRO B 215 2.897 6.214 -1.951 1.00 15.00 C ATOM 753 CD PRO B 215 3.430 7.209 -0.958 1.00 15.00 C ATOM 0 HA PRO B 215 5.152 4.555 -0.175 1.00 15.00 H new ATOM 0 HB2 PRO B 215 3.576 4.245 -2.440 1.00 15.00 H new ATOM 0 HB3 PRO B 215 2.852 4.381 -0.850 1.00 15.00 H new ATOM 0 HG2 PRO B 215 3.179 6.488 -2.967 1.00 15.00 H new ATOM 0 HG3 PRO B 215 1.808 6.179 -1.921 1.00 15.00 H new ATOM 0 HD2 PRO B 215 3.587 8.186 -1.415 1.00 15.00 H new ATOM 0 HD3 PRO B 215 2.741 7.353 -0.126 1.00 15.00 H new ATOM 761 N MET B 216 6.819 4.135 -1.855 1.00 15.00 N ATOM 762 CA MET B 216 7.936 3.935 -2.761 1.00 15.00 C ATOM 763 C MET B 216 8.214 2.447 -2.931 1.00 15.00 C ATOM 764 O MET B 216 8.178 1.689 -1.962 1.00 15.00 O ATOM 765 CB MET B 216 9.180 4.662 -2.234 1.00 15.00 C ATOM 766 CG MET B 216 9.712 4.118 -0.917 1.00 15.00 C ATOM 767 SD MET B 216 11.163 5.017 -0.335 1.00 15.00 S ATOM 768 CE MET B 216 10.484 6.664 -0.147 1.00 15.00 C ATOM 0 H MET B 216 6.781 3.471 -1.081 1.00 15.00 H new ATOM 0 HA MET B 216 7.681 4.351 -3.736 1.00 15.00 H new ATOM 0 HB2 MET B 216 9.968 4.599 -2.984 1.00 15.00 H new ATOM 0 HB3 MET B 216 8.943 5.718 -2.108 1.00 15.00 H new ATOM 0 HG2 MET B 216 8.928 4.172 -0.162 1.00 15.00 H new ATOM 0 HG3 MET B 216 9.965 3.065 -1.038 1.00 15.00 H new ATOM 0 HE1 MET B 216 11.089 7.228 0.563 1.00 15.00 H new ATOM 0 HE2 MET B 216 10.488 7.172 -1.112 1.00 15.00 H new ATOM 0 HE3 MET B 216 9.461 6.596 0.223 1.00 15.00 H new ATOM 778 N ASP B 217 8.494 2.041 -4.158 1.00 15.00 N ATOM 779 CA ASP B 217 8.760 0.642 -4.468 1.00 15.00 C ATOM 780 C ASP B 217 9.987 0.534 -5.362 1.00 15.00 C ATOM 781 O ASP B 217 11.016 0.005 -4.904 1.00 15.00 O ATOM 782 CB ASP B 217 7.547 0.001 -5.150 1.00 15.00 C ATOM 783 CG ASP B 217 7.829 -1.403 -5.651 1.00 15.00 C ATOM 784 OD1 ASP B 217 7.649 -2.372 -4.883 1.00 15.00 O ATOM 785 OD2 ASP B 217 8.219 -1.547 -6.829 1.00 15.00 O1- ATOM 786 OXT ASP B 217 9.931 1.024 -6.511 1.00 15.00 O ATOM 0 H ASP B 217 8.544 2.665 -4.964 1.00 15.00 H new ATOM 0 HA ASP B 217 8.951 0.108 -3.537 1.00 15.00 H new ATOM 0 HB2 ASP B 217 6.714 -0.029 -4.447 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.235 0.625 -5.987 1.00 15.00 H new TER 791 ASP B 217