USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 498 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 Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -61:sc= 0.126 USER MOD Single : A 48 SER OG : rot 130:sc= -0.288 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= -3.17 F(o=-5.3,f=-3.2) USER MOD Single : A 52 SER OG : rot 58:sc= 0.102 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.731 K(o=-0.73,f=-1.4!) USER MOD Single : A 60 ASN : amide:sc= -0.0012 X(o=-0.0012,f=-0.17) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -4.89! C(o=-4.9!,f=-7.2!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 162:sc= -0.0167 (180deg=-0.186) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 82 SER OG : rot -123:sc= 0.232 USER MOD Single : B 83 THR OG1 : rot -59:sc= 0.21 USER MOD Single : B 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N ARG A 19 -8.551 -5.612 2.591 1.00 0.00 N ATOM 51 CA ARG A 19 -7.733 -5.575 1.383 1.00 0.00 C ATOM 52 C ARG A 19 -7.743 -4.185 0.752 1.00 0.00 C ATOM 53 O ARG A 19 -8.029 -4.038 -0.437 1.00 0.00 O ATOM 54 CB ARG A 19 -8.239 -6.608 0.374 1.00 0.00 C ATOM 55 CG ARG A 19 -9.747 -6.576 0.174 1.00 0.00 C ATOM 56 CD ARG A 19 -10.168 -7.394 -1.038 1.00 0.00 C ATOM 57 NE ARG A 19 -9.678 -6.820 -2.288 1.00 0.00 N ATOM 58 CZ ARG A 19 -9.288 -7.548 -3.332 1.00 0.00 C ATOM 59 NH1 ARG A 19 -9.335 -8.872 -3.276 1.00 0.00 N ATOM 60 NH2 ARG A 19 -8.853 -6.951 -4.434 1.00 0.00 N ATOM 0 HA ARG A 19 -6.707 -5.815 1.663 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.750 -6.437 -0.585 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.946 -7.603 0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.241 -6.964 1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.077 -5.544 0.050 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.792 -8.412 -0.936 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.256 -7.458 -1.071 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.632 -5.804 -2.366 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.671 -9.335 -2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.036 -9.427 -4.077 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.817 -5.933 -4.482 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.554 -7.510 -5.233 1.00 0.00 H new ATOM 74 N TRP A 20 -7.445 -3.165 1.553 1.00 0.00 N ATOM 75 CA TRP A 20 -7.434 -1.795 1.074 1.00 0.00 C ATOM 76 C TRP A 20 -6.258 -1.025 1.652 1.00 0.00 C ATOM 77 O TRP A 20 -5.722 -1.388 2.697 1.00 0.00 O ATOM 78 CB TRP A 20 -8.751 -1.126 1.445 1.00 0.00 C ATOM 79 CG TRP A 20 -9.897 -1.724 0.713 1.00 0.00 C ATOM 80 CD1 TRP A 20 -10.613 -2.818 1.087 1.00 0.00 C ATOM 81 CD2 TRP A 20 -10.438 -1.281 -0.531 1.00 0.00 C ATOM 82 NE1 TRP A 20 -11.570 -3.095 0.139 1.00 0.00 N ATOM 83 CE2 TRP A 20 -11.484 -2.158 -0.864 1.00 0.00 C ATOM 84 CE3 TRP A 20 -10.139 -0.226 -1.395 1.00 0.00 C ATOM 85 CZ2 TRP A 20 -12.226 -2.012 -2.031 1.00 0.00 C ATOM 86 CZ3 TRP A 20 -10.881 -0.080 -2.550 1.00 0.00 C ATOM 87 CH2 TRP A 20 -11.913 -0.970 -2.860 1.00 0.00 C ATOM 0 H TRP A 20 -7.208 -3.267 2.540 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.322 -1.797 -0.010 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -8.917 -1.219 2.518 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.693 -0.061 1.222 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.454 -3.384 1.993 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -12.234 -3.868 0.174 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -9.341 0.464 -1.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -13.023 -2.699 -2.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -10.661 0.734 -3.224 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -12.475 -0.832 -3.772 1.00 0.00 H new ATOM 98 N ALA A 21 -5.849 0.035 0.967 1.00 0.00 N ATOM 99 CA ALA A 21 -4.744 0.848 1.426 1.00 0.00 C ATOM 100 C ALA A 21 -5.101 2.320 1.329 1.00 0.00 C ATOM 101 O ALA A 21 -5.087 2.902 0.245 1.00 0.00 O ATOM 102 CB ALA A 21 -3.498 0.553 0.607 1.00 0.00 C ATOM 0 H ALA A 21 -6.270 0.347 0.092 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.541 0.606 2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.674 1.171 0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.234 -0.499 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.691 0.775 -0.442 1.00 0.00 H new ATOM 108 N ARG A 22 -5.401 2.929 2.467 1.00 0.00 N ATOM 109 CA ARG A 22 -5.732 4.341 2.491 1.00 0.00 C ATOM 110 C ARG A 22 -4.578 5.112 3.095 1.00 0.00 C ATOM 111 O ARG A 22 -4.303 5.012 4.292 1.00 0.00 O ATOM 112 CB ARG A 22 -7.022 4.597 3.275 1.00 0.00 C ATOM 113 CG ARG A 22 -7.231 6.058 3.644 1.00 0.00 C ATOM 114 CD ARG A 22 -8.707 6.414 3.712 1.00 0.00 C ATOM 115 NE ARG A 22 -8.917 7.858 3.778 1.00 0.00 N ATOM 116 CZ ARG A 22 -10.116 8.432 3.790 1.00 0.00 C ATOM 117 NH1 ARG A 22 -11.212 7.685 3.740 1.00 0.00 N ATOM 118 NH2 ARG A 22 -10.220 9.752 3.852 1.00 0.00 N ATOM 0 H ARG A 22 -5.421 2.470 3.377 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.901 4.680 1.469 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.871 4.256 2.683 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.008 3.999 4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.763 6.261 4.607 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.737 6.693 2.909 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.218 6.013 2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.154 5.942 4.587 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.095 8.461 3.817 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.135 6.669 3.692 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.131 8.127 3.749 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.379 10.329 3.891 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.141 10.191 3.861 1.00 0.00 H new ATOM 132 N ALA A 23 -3.895 5.862 2.249 1.00 0.00 N ATOM 133 CA ALA A 23 -2.745 6.637 2.679 1.00 0.00 C ATOM 134 C ALA A 23 -3.155 7.880 3.448 1.00 0.00 C ATOM 135 O ALA A 23 -3.807 8.771 2.906 1.00 0.00 O ATOM 136 CB ALA A 23 -1.893 7.017 1.479 1.00 0.00 C ATOM 0 H ALA A 23 -4.118 5.951 1.258 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.160 6.013 3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.033 7.598 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.548 6.113 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.486 7.613 0.785 1.00 0.00 H new ATOM 142 N LEU A 24 -2.735 7.944 4.708 1.00 0.00 N ATOM 143 CA LEU A 24 -3.019 9.092 5.555 1.00 0.00 C ATOM 144 C LEU A 24 -1.934 10.134 5.334 1.00 0.00 C ATOM 145 O LEU A 24 -2.104 11.319 5.622 1.00 0.00 O ATOM 146 CB LEU A 24 -3.063 8.678 7.030 1.00 0.00 C ATOM 147 CG LEU A 24 -3.379 7.203 7.285 1.00 0.00 C ATOM 148 CD1 LEU A 24 -3.044 6.823 8.718 1.00 0.00 C ATOM 149 CD2 LEU A 24 -4.842 6.913 6.983 1.00 0.00 C ATOM 0 H LEU A 24 -2.194 7.209 5.164 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.993 9.506 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.100 8.910 7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.811 9.286 7.539 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.763 6.599 6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.276 5.770 8.879 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.983 6.993 8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.633 7.433 9.403 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.050 5.859 7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.475 7.527 7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.051 7.145 5.939 1.00 0.00 H new ATOM 161 N TYR A 25 -0.820 9.655 4.792 1.00 0.00 N ATOM 162 CA TYR A 25 0.332 10.485 4.478 1.00 0.00 C ATOM 163 C TYR A 25 0.827 10.139 3.078 1.00 0.00 C ATOM 164 O TYR A 25 0.277 9.249 2.429 1.00 0.00 O ATOM 165 CB TYR A 25 1.459 10.269 5.495 1.00 0.00 C ATOM 166 CG TYR A 25 0.985 10.002 6.908 1.00 0.00 C ATOM 167 CD1 TYR A 25 0.352 10.992 7.649 1.00 0.00 C ATOM 168 CD2 TYR A 25 1.182 8.761 7.503 1.00 0.00 C ATOM 169 CE1 TYR A 25 -0.071 10.754 8.944 1.00 0.00 C ATOM 170 CE2 TYR A 25 0.760 8.516 8.796 1.00 0.00 C ATOM 171 CZ TYR A 25 0.135 9.515 9.512 1.00 0.00 C ATOM 172 OH TYR A 25 -0.285 9.273 10.800 1.00 0.00 O ATOM 0 H TYR A 25 -0.692 8.671 4.557 1.00 0.00 H new ATOM 0 HA TYR A 25 0.034 11.532 4.522 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.073 9.430 5.166 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.100 11.150 5.501 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.188 11.963 7.207 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.672 7.976 6.946 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.560 11.535 9.507 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.919 7.546 9.244 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.065 8.351 11.048 1.00 0.00 H new ATOM 182 N ASP A 26 1.856 10.838 2.615 1.00 0.00 N ATOM 183 CA ASP A 26 2.417 10.587 1.287 1.00 0.00 C ATOM 184 C ASP A 26 2.771 9.108 1.106 1.00 0.00 C ATOM 185 O ASP A 26 2.538 8.285 1.990 1.00 0.00 O ATOM 186 CB ASP A 26 3.660 11.453 1.067 1.00 0.00 C ATOM 187 CG ASP A 26 3.919 11.735 -0.401 1.00 0.00 C ATOM 188 OD1 ASP A 26 2.938 11.860 -1.164 1.00 0.00 O ATOM 189 OD2 ASP A 26 5.103 11.832 -0.787 1.00 0.00 O ATOM 0 H ASP A 26 2.320 11.582 3.136 1.00 0.00 H new ATOM 0 HA ASP A 26 1.661 10.849 0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.540 12.397 1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.528 10.953 1.496 1.00 0.00 H new ATOM 194 N PHE A 27 3.326 8.777 -0.053 1.00 0.00 N ATOM 195 CA PHE A 27 3.696 7.399 -0.365 1.00 0.00 C ATOM 196 C PHE A 27 5.195 7.164 -0.185 1.00 0.00 C ATOM 197 O PHE A 27 6.009 8.059 -0.417 1.00 0.00 O ATOM 198 CB PHE A 27 3.295 7.071 -1.801 1.00 0.00 C ATOM 199 CG PHE A 27 4.188 7.703 -2.831 1.00 0.00 C ATOM 200 CD1 PHE A 27 3.955 8.997 -3.270 1.00 0.00 C ATOM 201 CD2 PHE A 27 5.259 7.002 -3.359 1.00 0.00 C ATOM 202 CE1 PHE A 27 4.774 9.581 -4.216 1.00 0.00 C ATOM 203 CE2 PHE A 27 6.082 7.581 -4.306 1.00 0.00 C ATOM 204 CZ PHE A 27 5.840 8.872 -4.735 1.00 0.00 C ATOM 0 H PHE A 27 3.531 9.445 -0.796 1.00 0.00 H new ATOM 0 HA PHE A 27 3.167 6.745 0.328 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.307 5.989 -1.935 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.270 7.401 -1.968 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.123 9.555 -2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.453 5.993 -3.027 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.582 10.590 -4.549 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.914 7.025 -4.711 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.483 9.326 -5.475 1.00 0.00 H new ATOM 214 N GLU A 28 5.549 5.951 0.238 1.00 0.00 N ATOM 215 CA GLU A 28 6.946 5.588 0.457 1.00 0.00 C ATOM 216 C GLU A 28 7.510 4.784 -0.708 1.00 0.00 C ATOM 217 O GLU A 28 8.591 4.207 -0.597 1.00 0.00 O ATOM 218 CB GLU A 28 7.089 4.766 1.735 1.00 0.00 C ATOM 219 CG GLU A 28 6.429 5.399 2.946 1.00 0.00 C ATOM 220 CD GLU A 28 7.422 5.722 4.046 1.00 0.00 C ATOM 221 OE1 GLU A 28 8.136 6.739 3.921 1.00 0.00 O ATOM 222 OE2 GLU A 28 7.486 4.957 5.031 1.00 0.00 O ATOM 0 H GLU A 28 4.885 5.202 0.436 1.00 0.00 H new ATOM 0 HA GLU A 28 7.507 6.518 0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.657 3.779 1.571 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.148 4.619 1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.919 6.313 2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.667 4.723 3.335 1.00 0.00 H new ATOM 229 N ALA A 29 6.783 4.731 -1.816 1.00 0.00 N ATOM 230 CA ALA A 29 7.245 3.974 -2.972 1.00 0.00 C ATOM 231 C ALA A 29 8.439 4.650 -3.634 1.00 0.00 C ATOM 232 O ALA A 29 8.289 5.629 -4.363 1.00 0.00 O ATOM 233 CB ALA A 29 6.117 3.795 -3.974 1.00 0.00 C ATOM 0 H ALA A 29 5.883 5.196 -1.939 1.00 0.00 H new ATOM 0 HA ALA A 29 7.565 2.992 -2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.479 3.228 -4.832 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.294 3.257 -3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.768 4.772 -4.307 1.00 0.00 H new ATOM 239 N LEU A 30 9.627 4.112 -3.384 1.00 0.00 N ATOM 240 CA LEU A 30 10.850 4.657 -3.962 1.00 0.00 C ATOM 241 C LEU A 30 11.384 3.725 -5.039 1.00 0.00 C ATOM 242 O LEU A 30 12.300 4.077 -5.784 1.00 0.00 O ATOM 243 CB LEU A 30 11.913 4.871 -2.881 1.00 0.00 C ATOM 244 CG LEU A 30 11.378 4.960 -1.449 1.00 0.00 C ATOM 245 CD1 LEU A 30 12.489 4.687 -0.447 1.00 0.00 C ATOM 246 CD2 LEU A 30 10.756 6.326 -1.200 1.00 0.00 C ATOM 0 H LEU A 30 9.770 3.299 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 30 10.614 5.622 -4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.631 4.053 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.458 5.788 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 30 10.606 4.201 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.091 4.754 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.891 3.688 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.283 5.423 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.380 6.374 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.509 7.101 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.933 6.483 -1.897 1.00 0.00 H new ATOM 258 N GLU A 31 10.804 2.531 -5.115 1.00 0.00 N ATOM 259 CA GLU A 31 11.221 1.541 -6.103 1.00 0.00 C ATOM 260 C GLU A 31 10.338 1.599 -7.346 1.00 0.00 C ATOM 261 O GLU A 31 9.397 2.390 -7.413 1.00 0.00 O ATOM 262 CB GLU A 31 11.178 0.136 -5.498 1.00 0.00 C ATOM 263 CG GLU A 31 12.287 -0.125 -4.492 1.00 0.00 C ATOM 264 CD GLU A 31 13.306 -1.129 -4.995 1.00 0.00 C ATOM 265 OE1 GLU A 31 12.892 -2.202 -5.482 1.00 0.00 O ATOM 266 OE2 GLU A 31 14.517 -0.841 -4.902 1.00 0.00 O ATOM 0 H GLU A 31 10.045 2.226 -4.506 1.00 0.00 H new ATOM 0 HA GLU A 31 12.244 1.772 -6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.214 -0.012 -5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.246 -0.599 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.791 0.813 -4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.851 -0.490 -3.562 1.00 0.00 H new ATOM 273 N GLU A 32 10.652 0.760 -8.329 1.00 0.00 N ATOM 274 CA GLU A 32 9.891 0.716 -9.573 1.00 0.00 C ATOM 275 C GLU A 32 8.699 -0.228 -9.453 1.00 0.00 C ATOM 276 O GLU A 32 7.599 0.087 -9.908 1.00 0.00 O ATOM 277 CB GLU A 32 10.792 0.276 -10.729 1.00 0.00 C ATOM 278 CG GLU A 32 11.584 -0.986 -10.435 1.00 0.00 C ATOM 279 CD GLU A 32 13.073 -0.802 -10.653 1.00 0.00 C ATOM 280 OE1 GLU A 32 13.483 -0.611 -11.816 1.00 0.00 O ATOM 281 OE2 GLU A 32 13.828 -0.847 -9.658 1.00 0.00 O ATOM 0 H GLU A 32 11.429 0.101 -8.288 1.00 0.00 H new ATOM 0 HA GLU A 32 9.515 1.719 -9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.178 0.112 -11.615 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.485 1.083 -10.966 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.406 -1.290 -9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.224 -1.794 -11.072 1.00 0.00 H new ATOM 288 N ASP A 33 8.922 -1.383 -8.832 1.00 0.00 N ATOM 289 CA ASP A 33 7.863 -2.372 -8.647 1.00 0.00 C ATOM 290 C ASP A 33 6.954 -1.979 -7.488 1.00 0.00 C ATOM 291 O ASP A 33 6.258 -2.820 -6.919 1.00 0.00 O ATOM 292 CB ASP A 33 8.465 -3.753 -8.380 1.00 0.00 C ATOM 293 CG ASP A 33 8.234 -4.718 -9.527 1.00 0.00 C ATOM 294 OD1 ASP A 33 9.074 -4.753 -10.451 1.00 0.00 O ATOM 295 OD2 ASP A 33 7.215 -5.439 -9.500 1.00 0.00 O ATOM 0 H ASP A 33 9.826 -1.658 -8.448 1.00 0.00 H new ATOM 0 HA ASP A 33 7.272 -2.408 -9.562 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.536 -3.651 -8.205 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.031 -4.165 -7.469 1.00 0.00 H new ATOM 300 N GLU A 34 6.974 -0.697 -7.137 1.00 0.00 N ATOM 301 CA GLU A 34 6.163 -0.189 -6.039 1.00 0.00 C ATOM 302 C GLU A 34 5.023 0.686 -6.544 1.00 0.00 C ATOM 303 O GLU A 34 4.938 0.994 -7.733 1.00 0.00 O ATOM 304 CB GLU A 34 7.038 0.616 -5.079 1.00 0.00 C ATOM 305 CG GLU A 34 7.219 -0.044 -3.726 1.00 0.00 C ATOM 306 CD GLU A 34 8.677 -0.212 -3.348 1.00 0.00 C ATOM 307 OE1 GLU A 34 9.259 0.741 -2.789 1.00 0.00 O ATOM 308 OE2 GLU A 34 9.236 -1.297 -3.610 1.00 0.00 O ATOM 0 H GLU A 34 7.545 0.010 -7.600 1.00 0.00 H new ATOM 0 HA GLU A 34 5.730 -1.044 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.017 0.768 -5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.595 1.602 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.717 0.553 -2.965 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.735 -1.021 -3.735 1.00 0.00 H new ATOM 315 N LEU A 35 4.155 1.094 -5.622 1.00 0.00 N ATOM 316 CA LEU A 35 3.023 1.947 -5.951 1.00 0.00 C ATOM 317 C LEU A 35 3.022 3.181 -5.059 1.00 0.00 C ATOM 318 O LEU A 35 3.292 3.090 -3.861 1.00 0.00 O ATOM 319 CB LEU A 35 1.710 1.181 -5.778 1.00 0.00 C ATOM 320 CG LEU A 35 0.445 2.029 -5.915 1.00 0.00 C ATOM 321 CD1 LEU A 35 0.188 2.369 -7.374 1.00 0.00 C ATOM 322 CD2 LEU A 35 -0.750 1.302 -5.317 1.00 0.00 C ATOM 0 H LEU A 35 4.217 0.844 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 35 3.114 2.258 -6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.674 0.380 -6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.709 0.709 -4.795 1.00 0.00 H new ATOM 0 HG LEU A 35 0.591 2.959 -5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.716 2.973 -7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.034 2.929 -7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.061 1.449 -7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.642 1.920 -5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.899 0.357 -5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.566 1.108 -4.260 1.00 0.00 H new ATOM 334 N GLY A 36 2.727 4.334 -5.646 1.00 0.00 N ATOM 335 CA GLY A 36 2.715 5.564 -4.884 1.00 0.00 C ATOM 336 C GLY A 36 1.364 6.246 -4.858 1.00 0.00 C ATOM 337 O GLY A 36 0.779 6.532 -5.904 1.00 0.00 O ATOM 0 H GLY A 36 2.497 4.438 -6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.025 5.351 -3.861 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.451 6.249 -5.304 1.00 0.00 H new ATOM 341 N PHE A 37 0.879 6.524 -3.652 1.00 0.00 N ATOM 342 CA PHE A 37 -0.399 7.197 -3.471 1.00 0.00 C ATOM 343 C PHE A 37 -0.204 8.536 -2.774 1.00 0.00 C ATOM 344 O PHE A 37 0.925 8.973 -2.551 1.00 0.00 O ATOM 345 CB PHE A 37 -1.358 6.343 -2.641 1.00 0.00 C ATOM 346 CG PHE A 37 -0.684 5.353 -1.733 1.00 0.00 C ATOM 347 CD1 PHE A 37 0.255 5.770 -0.803 1.00 0.00 C ATOM 348 CD2 PHE A 37 -1.005 4.007 -1.799 1.00 0.00 C ATOM 349 CE1 PHE A 37 0.864 4.862 0.040 1.00 0.00 C ATOM 350 CE2 PHE A 37 -0.401 3.096 -0.956 1.00 0.00 C ATOM 351 CZ PHE A 37 0.535 3.524 -0.036 1.00 0.00 C ATOM 0 H PHE A 37 1.357 6.291 -2.781 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.827 7.356 -4.461 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.983 7.002 -2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.022 5.804 -3.317 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.513 6.817 -0.737 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.736 3.667 -2.518 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.597 5.198 0.758 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.660 2.049 -1.016 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.009 2.812 0.624 1.00 0.00 H new ATOM 361 N ARG A 38 -1.312 9.176 -2.422 1.00 0.00 N ATOM 362 CA ARG A 38 -1.262 10.463 -1.735 1.00 0.00 C ATOM 363 C ARG A 38 -2.136 10.452 -0.484 1.00 0.00 C ATOM 364 O ARG A 38 -2.924 9.529 -0.276 1.00 0.00 O ATOM 365 CB ARG A 38 -1.704 11.583 -2.674 1.00 0.00 C ATOM 366 CG ARG A 38 -0.983 11.570 -4.010 1.00 0.00 C ATOM 367 CD ARG A 38 -0.666 12.979 -4.486 1.00 0.00 C ATOM 368 NE ARG A 38 -1.754 13.551 -5.274 1.00 0.00 N ATOM 369 CZ ARG A 38 -1.567 14.304 -6.355 1.00 0.00 C ATOM 370 NH1 ARG A 38 -0.338 14.570 -6.774 1.00 0.00 N ATOM 371 NH2 ARG A 38 -2.608 14.789 -7.016 1.00 0.00 N ATOM 0 H ARG A 38 -2.254 8.827 -2.600 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.231 10.642 -1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.777 11.499 -2.848 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.534 12.543 -2.187 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.059 10.999 -3.920 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.600 11.064 -4.753 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.469 13.617 -3.624 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.245 12.963 -5.085 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.712 13.363 -4.979 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.465 14.197 -6.268 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.195 15.147 -7.603 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.555 14.585 -6.696 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.462 15.366 -7.844 1.00 0.00 H new ATOM 385 N SER A 39 -1.989 11.483 0.345 1.00 0.00 N ATOM 386 CA SER A 39 -2.765 11.595 1.577 1.00 0.00 C ATOM 387 C SER A 39 -4.264 11.508 1.294 1.00 0.00 C ATOM 388 O SER A 39 -4.736 11.963 0.252 1.00 0.00 O ATOM 389 CB SER A 39 -2.445 12.913 2.284 1.00 0.00 C ATOM 390 OG SER A 39 -1.311 13.538 1.709 1.00 0.00 O ATOM 0 H SER A 39 -1.339 12.253 0.186 1.00 0.00 H new ATOM 0 HA SER A 39 -2.490 10.763 2.225 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.304 13.581 2.220 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.264 12.727 3.343 1.00 0.00 H new ATOM 0 HG SER A 39 -0.531 12.952 1.803 1.00 0.00 H new ATOM 396 N GLY A 40 -5.001 10.919 2.235 1.00 0.00 N ATOM 397 CA GLY A 40 -6.438 10.773 2.085 1.00 0.00 C ATOM 398 C GLY A 40 -6.833 10.146 0.761 1.00 0.00 C ATOM 399 O GLY A 40 -7.694 10.670 0.054 1.00 0.00 O ATOM 0 H GLY A 40 -4.624 10.539 3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.823 10.161 2.900 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.909 11.752 2.172 1.00 0.00 H new ATOM 403 N GLU A 41 -6.203 9.023 0.421 1.00 0.00 N ATOM 404 CA GLU A 41 -6.502 8.335 -0.833 1.00 0.00 C ATOM 405 C GLU A 41 -6.842 6.867 -0.595 1.00 0.00 C ATOM 406 O GLU A 41 -6.155 6.175 0.155 1.00 0.00 O ATOM 407 CB GLU A 41 -5.317 8.445 -1.793 1.00 0.00 C ATOM 408 CG GLU A 41 -5.122 9.841 -2.366 1.00 0.00 C ATOM 409 CD GLU A 41 -6.148 10.182 -3.431 1.00 0.00 C ATOM 410 OE1 GLU A 41 -6.637 9.251 -4.103 1.00 0.00 O ATOM 411 OE2 GLU A 41 -6.460 11.380 -3.591 1.00 0.00 O ATOM 0 H GLU A 41 -5.487 8.573 0.992 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.372 8.818 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.408 8.146 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.459 7.742 -2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.183 10.572 -1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.122 9.919 -2.792 1.00 0.00 H new ATOM 418 N VAL A 42 -7.903 6.397 -1.249 1.00 0.00 N ATOM 419 CA VAL A 42 -8.335 5.009 -1.119 1.00 0.00 C ATOM 420 C VAL A 42 -7.719 4.143 -2.214 1.00 0.00 C ATOM 421 O VAL A 42 -7.732 4.510 -3.389 1.00 0.00 O ATOM 422 CB VAL A 42 -9.870 4.887 -1.186 1.00 0.00 C ATOM 423 CG1 VAL A 42 -10.303 3.452 -0.929 1.00 0.00 C ATOM 424 CG2 VAL A 42 -10.528 5.837 -0.196 1.00 0.00 C ATOM 0 H VAL A 42 -8.479 6.959 -1.875 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.995 4.660 -0.144 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.194 5.166 -2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.390 3.385 -0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.863 2.799 -1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.967 3.142 0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.611 5.735 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.199 5.595 0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.245 6.863 -0.433 1.00 0.00 H new ATOM 434 N VAL A 43 -7.172 2.998 -1.817 1.00 0.00 N ATOM 435 CA VAL A 43 -6.541 2.081 -2.760 1.00 0.00 C ATOM 436 C VAL A 43 -7.045 0.651 -2.566 1.00 0.00 C ATOM 437 O VAL A 43 -7.232 0.200 -1.438 1.00 0.00 O ATOM 438 CB VAL A 43 -5.007 2.111 -2.603 1.00 0.00 C ATOM 439 CG1 VAL A 43 -4.347 1.004 -3.410 1.00 0.00 C ATOM 440 CG2 VAL A 43 -4.462 3.471 -3.008 1.00 0.00 C ATOM 0 H VAL A 43 -7.153 2.683 -0.847 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.808 2.411 -3.764 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.771 1.939 -1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.266 1.052 -3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.712 0.036 -3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.590 1.129 -4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.378 3.478 -2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.717 3.670 -4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.900 4.242 -2.374 1.00 0.00 H new ATOM 450 N GLU A 44 -7.252 -0.064 -3.671 1.00 0.00 N ATOM 451 CA GLU A 44 -7.721 -1.446 -3.607 1.00 0.00 C ATOM 452 C GLU A 44 -6.534 -2.406 -3.580 1.00 0.00 C ATOM 453 O GLU A 44 -5.774 -2.496 -4.544 1.00 0.00 O ATOM 454 CB GLU A 44 -8.626 -1.764 -4.800 1.00 0.00 C ATOM 455 CG GLU A 44 -9.620 -2.881 -4.527 1.00 0.00 C ATOM 456 CD GLU A 44 -10.775 -2.888 -5.509 1.00 0.00 C ATOM 457 OE1 GLU A 44 -11.249 -1.792 -5.876 1.00 0.00 O ATOM 458 OE2 GLU A 44 -11.205 -3.989 -5.913 1.00 0.00 O ATOM 0 H GLU A 44 -7.103 0.289 -4.616 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.298 -1.571 -2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.172 -0.864 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.006 -2.041 -5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.104 -3.840 -4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.010 -2.776 -3.514 1.00 0.00 H new ATOM 465 N VAL A 45 -6.374 -3.112 -2.464 1.00 0.00 N ATOM 466 CA VAL A 45 -5.268 -4.055 -2.303 1.00 0.00 C ATOM 467 C VAL A 45 -5.574 -5.394 -2.971 1.00 0.00 C ATOM 468 O VAL A 45 -6.693 -5.901 -2.891 1.00 0.00 O ATOM 469 CB VAL A 45 -4.945 -4.294 -0.814 1.00 0.00 C ATOM 470 CG1 VAL A 45 -3.935 -5.419 -0.647 1.00 0.00 C ATOM 471 CG2 VAL A 45 -4.436 -3.016 -0.168 1.00 0.00 C ATOM 0 H VAL A 45 -6.995 -3.050 -1.657 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.401 -3.606 -2.788 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.865 -4.593 -0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.726 -5.566 0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.342 -6.339 -1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.012 -5.160 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.213 -3.203 0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.531 -2.686 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.199 -2.241 -0.245 1.00 0.00 H new ATOM 481 N LEU A 46 -4.565 -5.959 -3.629 1.00 0.00 N ATOM 482 CA LEU A 46 -4.712 -7.239 -4.312 1.00 0.00 C ATOM 483 C LEU A 46 -4.091 -8.371 -3.496 1.00 0.00 C ATOM 484 O LEU A 46 -4.372 -9.545 -3.734 1.00 0.00 O ATOM 485 CB LEU A 46 -4.058 -7.176 -5.695 1.00 0.00 C ATOM 486 CG LEU A 46 -5.028 -6.998 -6.863 1.00 0.00 C ATOM 487 CD1 LEU A 46 -4.362 -6.229 -7.995 1.00 0.00 C ATOM 488 CD2 LEU A 46 -5.523 -8.351 -7.353 1.00 0.00 C ATOM 0 H LEU A 46 -3.634 -5.548 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.777 -7.442 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.345 -6.351 -5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.488 -8.092 -5.852 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.887 -6.423 -6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.066 -6.111 -8.818 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.055 -5.246 -7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.487 -6.778 -8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.213 -8.207 -8.185 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.675 -8.950 -7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.036 -8.866 -6.541 1.00 0.00 H new ATOM 500 N ASP A 47 -3.242 -8.010 -2.535 1.00 0.00 N ATOM 501 CA ASP A 47 -2.579 -8.996 -1.688 1.00 0.00 C ATOM 502 C ASP A 47 -2.075 -8.363 -0.392 1.00 0.00 C ATOM 503 O ASP A 47 -1.068 -7.657 -0.386 1.00 0.00 O ATOM 504 CB ASP A 47 -1.408 -9.634 -2.439 1.00 0.00 C ATOM 505 CG ASP A 47 -1.600 -11.122 -2.653 1.00 0.00 C ATOM 506 OD1 ASP A 47 -1.259 -11.902 -1.741 1.00 0.00 O ATOM 507 OD2 ASP A 47 -2.089 -11.508 -3.736 1.00 0.00 O ATOM 0 H ASP A 47 -2.998 -7.042 -2.325 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.310 -9.764 -1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.289 -9.143 -3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.487 -9.466 -1.881 1.00 0.00 H new ATOM 512 N SER A 48 -2.780 -8.631 0.704 1.00 0.00 N ATOM 513 CA SER A 48 -2.409 -8.101 2.015 1.00 0.00 C ATOM 514 C SER A 48 -1.606 -9.110 2.799 1.00 0.00 C ATOM 515 O SER A 48 -1.214 -8.845 3.936 1.00 0.00 O ATOM 516 CB SER A 48 -3.659 -7.698 2.801 1.00 0.00 C ATOM 517 OG SER A 48 -4.662 -7.189 1.939 1.00 0.00 O ATOM 0 H SER A 48 -3.616 -9.215 0.711 1.00 0.00 H new ATOM 0 HA SER A 48 -1.790 -7.218 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.045 -8.561 3.343 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.398 -6.945 3.544 1.00 0.00 H new ATOM 0 HG SER A 48 -5.512 -7.640 2.124 1.00 0.00 H new ATOM 523 N SER A 49 -1.325 -10.256 2.195 1.00 0.00 N ATOM 524 CA SER A 49 -0.530 -11.240 2.889 1.00 0.00 C ATOM 525 C SER A 49 0.926 -10.816 2.830 1.00 0.00 C ATOM 526 O SER A 49 1.531 -10.782 1.760 1.00 0.00 O ATOM 527 CB SER A 49 -0.703 -12.622 2.257 1.00 0.00 C ATOM 528 OG SER A 49 -2.065 -13.014 2.251 1.00 0.00 O ATOM 0 H SER A 49 -1.627 -10.516 1.256 1.00 0.00 H new ATOM 0 HA SER A 49 -0.858 -11.304 3.926 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.321 -12.609 1.236 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.113 -13.354 2.809 1.00 0.00 H new ATOM 0 HG SER A 49 -2.149 -13.900 1.840 1.00 0.00 H new ATOM 534 N ASN A 50 1.457 -10.491 3.999 1.00 0.00 N ATOM 535 CA ASN A 50 2.835 -10.041 4.170 1.00 0.00 C ATOM 536 C ASN A 50 2.963 -9.361 5.529 1.00 0.00 C ATOM 537 O ASN A 50 1.960 -8.936 6.103 1.00 0.00 O ATOM 538 CB ASN A 50 3.220 -9.057 3.071 1.00 0.00 C ATOM 539 CG ASN A 50 4.020 -9.691 1.955 1.00 0.00 C ATOM 540 OD1 ASN A 50 3.613 -9.416 0.721 1.00 0.00 O flip ATOM 541 ND2 ASN A 50 4.988 -10.414 2.195 1.00 0.00 N flip ATOM 0 H ASN A 50 0.934 -10.533 4.874 1.00 0.00 H new ATOM 0 HA ASN A 50 3.502 -10.901 4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.315 -8.616 2.654 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.800 -8.244 3.508 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.262 -10.596 3.161 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.516 -10.831 1.428 1.00 0.00 H new ATOM 548 N PRO A 51 4.179 -9.259 6.084 1.00 0.00 N ATOM 549 CA PRO A 51 4.383 -8.644 7.384 1.00 0.00 C ATOM 550 C PRO A 51 4.695 -7.149 7.320 1.00 0.00 C ATOM 551 O PRO A 51 5.025 -6.544 8.340 1.00 0.00 O ATOM 552 CB PRO A 51 5.581 -9.419 7.920 1.00 0.00 C ATOM 553 CG PRO A 51 6.384 -9.780 6.708 1.00 0.00 C ATOM 554 CD PRO A 51 5.445 -9.752 5.519 1.00 0.00 C ATOM 0 HA PRO A 51 3.486 -8.693 8.002 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.164 -8.813 8.614 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.264 -10.309 8.463 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.204 -9.076 6.567 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.829 -10.768 6.823 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.815 -9.095 4.732 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.328 -10.742 5.078 1.00 0.00 H new ATOM 562 N SER A 52 4.588 -6.548 6.135 1.00 0.00 N ATOM 563 CA SER A 52 4.867 -5.119 6.000 1.00 0.00 C ATOM 564 C SER A 52 4.486 -4.578 4.624 1.00 0.00 C ATOM 565 O SER A 52 3.722 -3.622 4.520 1.00 0.00 O ATOM 566 CB SER A 52 6.346 -4.844 6.271 1.00 0.00 C ATOM 567 OG SER A 52 6.517 -4.111 7.473 1.00 0.00 O ATOM 0 H SER A 52 4.316 -7.017 5.271 1.00 0.00 H new ATOM 0 HA SER A 52 4.252 -4.602 6.737 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.888 -5.787 6.336 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.774 -4.287 5.438 1.00 0.00 H new ATOM 0 HG SER A 52 6.121 -4.608 8.219 1.00 0.00 H new ATOM 573 N TRP A 53 5.035 -5.174 3.573 1.00 0.00 N ATOM 574 CA TRP A 53 4.756 -4.721 2.213 1.00 0.00 C ATOM 575 C TRP A 53 3.685 -5.579 1.541 1.00 0.00 C ATOM 576 O TRP A 53 3.911 -6.756 1.263 1.00 0.00 O ATOM 577 CB TRP A 53 6.034 -4.761 1.374 1.00 0.00 C ATOM 578 CG TRP A 53 6.908 -3.553 1.525 1.00 0.00 C ATOM 579 CD1 TRP A 53 7.968 -3.407 2.374 1.00 0.00 C ATOM 580 CD2 TRP A 53 6.807 -2.326 0.796 1.00 0.00 C ATOM 581 NE1 TRP A 53 8.531 -2.163 2.216 1.00 0.00 N ATOM 582 CE2 TRP A 53 7.836 -1.480 1.252 1.00 0.00 C ATOM 583 CE3 TRP A 53 5.946 -1.861 -0.198 1.00 0.00 C ATOM 584 CZ2 TRP A 53 8.025 -0.197 0.744 1.00 0.00 C ATOM 585 CZ3 TRP A 53 6.134 -0.588 -0.699 1.00 0.00 C ATOM 586 CH2 TRP A 53 7.166 0.231 -0.228 1.00 0.00 C ATOM 0 H TRP A 53 5.673 -5.968 3.633 1.00 0.00 H new ATOM 0 HA TRP A 53 4.385 -3.698 2.278 1.00 0.00 H new ATOM 0 HB2 TRP A 53 6.607 -5.647 1.648 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.762 -4.870 0.324 1.00 0.00 H new ATOM 0 HD1 TRP A 53 8.313 -4.159 3.068 1.00 0.00 H new ATOM 0 HE1 TRP A 53 9.335 -1.806 2.732 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.147 -2.485 -0.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 8.822 0.436 1.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.472 -0.218 -1.468 1.00 0.00 H new ATOM 0 HH2 TRP A 53 7.286 1.222 -0.641 1.00 0.00 H new ATOM 597 N TRP A 54 2.531 -4.977 1.258 1.00 0.00 N ATOM 598 CA TRP A 54 1.445 -5.691 0.590 1.00 0.00 C ATOM 599 C TRP A 54 1.313 -5.228 -0.856 1.00 0.00 C ATOM 600 O TRP A 54 1.592 -4.072 -1.175 1.00 0.00 O ATOM 601 CB TRP A 54 0.102 -5.480 1.299 1.00 0.00 C ATOM 602 CG TRP A 54 0.091 -5.833 2.752 1.00 0.00 C ATOM 603 CD1 TRP A 54 0.992 -6.604 3.415 1.00 0.00 C ATOM 604 CD2 TRP A 54 -0.893 -5.441 3.717 1.00 0.00 C ATOM 605 NE1 TRP A 54 0.627 -6.730 4.730 1.00 0.00 N ATOM 606 CE2 TRP A 54 -0.523 -6.019 4.943 1.00 0.00 C ATOM 607 CE3 TRP A 54 -2.049 -4.659 3.661 1.00 0.00 C ATOM 608 CZ2 TRP A 54 -1.268 -5.841 6.106 1.00 0.00 C ATOM 609 CZ3 TRP A 54 -2.787 -4.480 4.817 1.00 0.00 C ATOM 610 CH2 TRP A 54 -2.394 -5.069 6.025 1.00 0.00 C ATOM 0 H TRP A 54 2.325 -4.003 1.479 1.00 0.00 H new ATOM 0 HA TRP A 54 1.695 -6.751 0.623 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.187 -4.435 1.193 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.657 -6.074 0.791 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.868 -7.052 2.971 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.131 -7.267 5.436 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.361 -4.203 2.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.967 -6.296 7.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.682 -3.876 4.787 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.992 -4.911 6.910 1.00 0.00 H new ATOM 621 N THR A 55 0.880 -6.132 -1.728 1.00 0.00 N ATOM 622 CA THR A 55 0.701 -5.810 -3.140 1.00 0.00 C ATOM 623 C THR A 55 -0.697 -5.252 -3.403 1.00 0.00 C ATOM 624 O THR A 55 -1.697 -5.927 -3.169 1.00 0.00 O ATOM 625 CB THR A 55 0.926 -7.049 -4.029 1.00 0.00 C ATOM 626 OG1 THR A 55 2.222 -7.605 -3.776 1.00 0.00 O ATOM 627 CG2 THR A 55 0.802 -6.692 -5.503 1.00 0.00 C ATOM 0 H THR A 55 0.646 -7.094 -1.482 1.00 0.00 H new ATOM 0 HA THR A 55 1.443 -5.053 -3.391 1.00 0.00 H new ATOM 0 HB THR A 55 0.160 -7.785 -3.785 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.356 -8.393 -4.343 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.965 -7.584 -6.108 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.195 -6.298 -5.699 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.547 -5.939 -5.759 1.00 0.00 H new ATOM 635 N GLY A 56 -0.757 -4.016 -3.891 1.00 0.00 N ATOM 636 CA GLY A 56 -2.036 -3.385 -4.180 1.00 0.00 C ATOM 637 C GLY A 56 -1.945 -2.418 -5.347 1.00 0.00 C ATOM 638 O GLY A 56 -0.856 -2.171 -5.861 1.00 0.00 O ATOM 0 H GLY A 56 0.059 -3.438 -4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.776 -4.153 -4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.385 -2.853 -3.295 1.00 0.00 H new ATOM 642 N ARG A 57 -3.080 -1.867 -5.773 1.00 0.00 N ATOM 643 CA ARG A 57 -3.083 -0.926 -6.890 1.00 0.00 C ATOM 644 C ARG A 57 -3.951 0.297 -6.602 1.00 0.00 C ATOM 645 O ARG A 57 -5.072 0.182 -6.102 1.00 0.00 O ATOM 646 CB ARG A 57 -3.543 -1.611 -8.180 1.00 0.00 C ATOM 647 CG ARG A 57 -4.907 -2.273 -8.082 1.00 0.00 C ATOM 648 CD ARG A 57 -5.594 -2.319 -9.438 1.00 0.00 C ATOM 649 NE ARG A 57 -6.392 -3.530 -9.611 1.00 0.00 N ATOM 650 CZ ARG A 57 -7.102 -3.794 -10.705 1.00 0.00 C ATOM 651 NH1 ARG A 57 -7.110 -2.937 -11.718 1.00 0.00 N ATOM 652 NH2 ARG A 57 -7.803 -4.916 -10.785 1.00 0.00 N ATOM 0 H ARG A 57 -3.997 -2.053 -5.368 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.057 -0.582 -7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.567 -0.873 -8.981 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.806 -2.363 -8.461 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.796 -3.285 -7.693 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.530 -1.726 -7.374 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.235 -1.444 -9.548 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.843 -2.265 -10.226 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.406 -4.211 -8.852 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.571 -2.073 -11.659 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.655 -3.142 -12.555 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.798 -5.577 -10.008 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.347 -5.119 -11.623 1.00 0.00 H new ATOM 666 N LEU A 58 -3.409 1.472 -6.924 1.00 0.00 N ATOM 667 CA LEU A 58 -4.102 2.740 -6.708 1.00 0.00 C ATOM 668 C LEU A 58 -4.750 3.228 -7.998 1.00 0.00 C ATOM 669 O LEU A 58 -4.059 3.518 -8.973 1.00 0.00 O ATOM 670 CB LEU A 58 -3.103 3.787 -6.191 1.00 0.00 C ATOM 671 CG LEU A 58 -3.336 5.233 -6.656 1.00 0.00 C ATOM 672 CD1 LEU A 58 -3.380 6.173 -5.463 1.00 0.00 C ATOM 673 CD2 LEU A 58 -2.243 5.657 -7.626 1.00 0.00 C ATOM 0 H LEU A 58 -2.483 1.570 -7.339 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.888 2.590 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.122 3.770 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.101 3.486 -6.497 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.296 5.283 -7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.546 7.193 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.192 5.879 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.434 6.122 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.420 6.683 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.273 5.594 -7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.251 4.998 -8.494 1.00 0.00 H new ATOM 685 N HIS A 59 -6.079 3.324 -7.990 1.00 0.00 N ATOM 686 CA HIS A 59 -6.822 3.788 -9.159 1.00 0.00 C ATOM 687 C HIS A 59 -6.646 2.820 -10.334 1.00 0.00 C ATOM 688 O HIS A 59 -7.526 2.004 -10.608 1.00 0.00 O ATOM 689 CB HIS A 59 -6.364 5.205 -9.527 1.00 0.00 C ATOM 690 CG HIS A 59 -6.718 5.640 -10.914 1.00 0.00 C ATOM 691 ND1 HIS A 59 -7.864 5.244 -11.570 1.00 0.00 N ATOM 692 CD2 HIS A 59 -6.059 6.455 -11.768 1.00 0.00 C ATOM 693 CE1 HIS A 59 -7.894 5.797 -12.769 1.00 0.00 C ATOM 694 NE2 HIS A 59 -6.810 6.538 -12.915 1.00 0.00 N ATOM 0 H HIS A 59 -6.662 3.087 -7.187 1.00 0.00 H new ATOM 0 HA HIS A 59 -7.885 3.817 -8.921 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -6.801 5.908 -8.818 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -5.282 5.264 -9.408 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.117 6.949 -11.583 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -8.673 5.666 -13.506 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -6.570 7.082 -13.744 1.00 0.00 H new ATOM 703 N ASN A 60 -5.507 2.907 -11.018 1.00 0.00 N ATOM 704 CA ASN A 60 -5.228 2.031 -12.151 1.00 0.00 C ATOM 705 C ASN A 60 -3.741 1.696 -12.230 1.00 0.00 C ATOM 706 O ASN A 60 -3.256 1.208 -13.252 1.00 0.00 O ATOM 707 CB ASN A 60 -5.689 2.681 -13.455 1.00 0.00 C ATOM 708 CG ASN A 60 -6.240 1.670 -14.442 1.00 0.00 C ATOM 709 OD1 ASN A 60 -5.810 0.516 -14.469 1.00 0.00 O ATOM 710 ND2 ASN A 60 -7.194 2.098 -15.258 1.00 0.00 N ATOM 0 H ASN A 60 -4.765 3.574 -10.807 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.782 1.104 -12.003 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.455 3.425 -13.236 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.851 3.210 -13.910 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.602 1.462 -15.943 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.520 3.063 -15.200 1.00 0.00 H new ATOM 717 N LYS A 61 -3.029 1.955 -11.140 1.00 0.00 N ATOM 718 CA LYS A 61 -1.601 1.679 -11.068 1.00 0.00 C ATOM 719 C LYS A 61 -1.337 0.580 -10.051 1.00 0.00 C ATOM 720 O LYS A 61 -1.800 0.660 -8.919 1.00 0.00 O ATOM 721 CB LYS A 61 -0.836 2.946 -10.681 1.00 0.00 C ATOM 722 CG LYS A 61 -1.035 4.096 -11.654 1.00 0.00 C ATOM 723 CD LYS A 61 -0.572 5.415 -11.063 1.00 0.00 C ATOM 724 CE LYS A 61 0.741 5.870 -11.680 1.00 0.00 C ATOM 725 NZ LYS A 61 0.728 7.323 -12.004 1.00 0.00 N ATOM 0 H LYS A 61 -3.421 2.358 -10.289 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.256 1.348 -12.048 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.153 3.263 -9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.227 2.714 -10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.484 3.895 -12.573 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.089 4.167 -11.923 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.335 6.176 -11.226 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.452 5.310 -9.985 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.558 5.659 -10.991 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.933 5.297 -12.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.641 7.594 -12.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.036 7.521 -12.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.570 7.871 -11.134 1.00 0.00 H new ATOM 739 N LEU A 62 -0.605 -0.451 -10.457 1.00 0.00 N ATOM 740 CA LEU A 62 -0.309 -1.566 -9.563 1.00 0.00 C ATOM 741 C LEU A 62 1.112 -1.484 -9.020 1.00 0.00 C ATOM 742 O LEU A 62 2.033 -1.054 -9.715 1.00 0.00 O ATOM 743 CB LEU A 62 -0.510 -2.899 -10.288 1.00 0.00 C ATOM 744 CG LEU A 62 -1.469 -2.857 -11.480 1.00 0.00 C ATOM 745 CD1 LEU A 62 -0.732 -3.193 -12.769 1.00 0.00 C ATOM 746 CD2 LEU A 62 -2.628 -3.816 -11.261 1.00 0.00 C ATOM 0 H LEU A 62 -0.208 -0.539 -11.392 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.999 -1.505 -8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.460 -3.255 -10.635 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.880 -3.632 -9.571 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.869 -1.847 -11.568 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.429 -3.158 -13.606 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.066 -2.469 -12.931 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.305 -4.193 -12.694 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.301 -3.775 -12.117 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.245 -4.830 -11.149 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.170 -3.532 -10.359 1.00 0.00 H new ATOM 758 N GLY A 63 1.280 -1.907 -7.770 1.00 0.00 N ATOM 759 CA GLY A 63 2.586 -1.884 -7.142 1.00 0.00 C ATOM 760 C GLY A 63 2.520 -2.076 -5.637 1.00 0.00 C ATOM 761 O GLY A 63 1.482 -1.843 -5.019 1.00 0.00 O ATOM 0 H GLY A 63 0.530 -2.267 -7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.207 -2.668 -7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.073 -0.934 -7.361 1.00 0.00 H new ATOM 765 N LEU A 64 3.632 -2.507 -5.048 1.00 0.00 N ATOM 766 CA LEU A 64 3.701 -2.737 -3.607 1.00 0.00 C ATOM 767 C LEU A 64 3.576 -1.427 -2.832 1.00 0.00 C ATOM 768 O LEU A 64 4.065 -0.387 -3.272 1.00 0.00 O ATOM 769 CB LEU A 64 5.017 -3.433 -3.252 1.00 0.00 C ATOM 770 CG LEU A 64 5.552 -4.389 -4.320 1.00 0.00 C ATOM 771 CD1 LEU A 64 6.951 -4.861 -3.960 1.00 0.00 C ATOM 772 CD2 LEU A 64 4.615 -5.575 -4.491 1.00 0.00 C ATOM 0 H LEU A 64 4.499 -2.704 -5.547 1.00 0.00 H new ATOM 0 HA LEU A 64 2.866 -3.378 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.772 -2.672 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.878 -3.989 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 64 5.604 -3.853 -5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.315 -5.540 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.618 -4.002 -3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.925 -5.380 -3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.011 -6.245 -5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.531 -6.112 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.630 -5.220 -4.795 1.00 0.00 H new ATOM 784 N PHE A 65 2.923 -1.484 -1.672 1.00 0.00 N ATOM 785 CA PHE A 65 2.741 -0.300 -0.837 1.00 0.00 C ATOM 786 C PHE A 65 3.089 -0.601 0.621 1.00 0.00 C ATOM 787 O PHE A 65 3.098 -1.760 1.038 1.00 0.00 O ATOM 788 CB PHE A 65 1.295 0.215 -0.933 1.00 0.00 C ATOM 789 CG PHE A 65 0.363 -0.401 0.072 1.00 0.00 C ATOM 790 CD1 PHE A 65 0.273 0.122 1.348 1.00 0.00 C ATOM 791 CD2 PHE A 65 -0.408 -1.504 -0.253 1.00 0.00 C ATOM 792 CE1 PHE A 65 -0.562 -0.436 2.286 1.00 0.00 C ATOM 793 CE2 PHE A 65 -1.249 -2.074 0.681 1.00 0.00 C ATOM 794 CZ PHE A 65 -1.327 -1.540 1.956 1.00 0.00 C ATOM 0 H PHE A 65 2.512 -2.336 -1.291 1.00 0.00 H new ATOM 0 HA PHE A 65 3.416 0.473 -1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.295 1.297 -0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.915 0.018 -1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.869 0.983 1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.351 -1.922 -1.247 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.621 -0.014 3.278 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.845 -2.935 0.418 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.983 -1.984 2.690 1.00 0.00 H new ATOM 804 N PRO A 66 3.374 0.444 1.422 1.00 0.00 N ATOM 805 CA PRO A 66 3.715 0.288 2.842 1.00 0.00 C ATOM 806 C PRO A 66 2.485 0.073 3.723 1.00 0.00 C ATOM 807 O PRO A 66 1.699 0.996 3.938 1.00 0.00 O ATOM 808 CB PRO A 66 4.352 1.633 3.170 1.00 0.00 C ATOM 809 CG PRO A 66 3.589 2.586 2.322 1.00 0.00 C ATOM 810 CD PRO A 66 3.389 1.870 1.017 1.00 0.00 C ATOM 0 HA PRO A 66 4.349 -0.580 3.021 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.261 1.874 4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.415 1.644 2.931 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.635 2.845 2.780 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.139 3.517 2.181 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.457 2.163 0.534 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.193 2.082 0.312 1.00 0.00 H new ATOM 818 N ALA A 67 2.322 -1.141 4.240 1.00 0.00 N ATOM 819 CA ALA A 67 1.184 -1.445 5.101 1.00 0.00 C ATOM 820 C ALA A 67 1.341 -0.776 6.460 1.00 0.00 C ATOM 821 O ALA A 67 0.421 -0.785 7.279 1.00 0.00 O ATOM 822 CB ALA A 67 1.022 -2.949 5.265 1.00 0.00 C ATOM 0 H ALA A 67 2.957 -1.923 4.080 1.00 0.00 H new ATOM 0 HA ALA A 67 0.285 -1.051 4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.168 -3.155 5.910 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.858 -3.406 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.924 -3.365 5.713 1.00 0.00 H new ATOM 828 N ASN A 68 2.514 -0.195 6.693 1.00 0.00 N ATOM 829 CA ASN A 68 2.795 0.484 7.950 1.00 0.00 C ATOM 830 C ASN A 68 2.470 1.970 7.841 1.00 0.00 C ATOM 831 O ASN A 68 2.151 2.620 8.837 1.00 0.00 O ATOM 832 CB ASN A 68 4.264 0.282 8.344 1.00 0.00 C ATOM 833 CG ASN A 68 4.982 1.583 8.658 1.00 0.00 C ATOM 834 OD1 ASN A 68 5.305 1.862 9.812 1.00 0.00 O ATOM 835 ND2 ASN A 68 5.240 2.383 7.627 1.00 0.00 N ATOM 0 H ASN A 68 3.285 -0.182 6.026 1.00 0.00 H new ATOM 0 HA ASN A 68 2.163 0.053 8.727 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.314 -0.372 9.214 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.785 -0.227 7.533 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.724 3.268 7.777 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.954 2.111 6.686 1.00 0.00 H new ATOM 842 N TYR A 69 2.555 2.504 6.626 1.00 0.00 N ATOM 843 CA TYR A 69 2.272 3.914 6.392 1.00 0.00 C ATOM 844 C TYR A 69 0.773 4.158 6.259 1.00 0.00 C ATOM 845 O TYR A 69 0.257 5.161 6.753 1.00 0.00 O ATOM 846 CB TYR A 69 2.997 4.406 5.137 1.00 0.00 C ATOM 847 CG TYR A 69 3.720 5.720 5.331 1.00 0.00 C ATOM 848 CD1 TYR A 69 4.746 5.841 6.261 1.00 0.00 C ATOM 849 CD2 TYR A 69 3.379 6.839 4.584 1.00 0.00 C ATOM 850 CE1 TYR A 69 5.409 7.040 6.442 1.00 0.00 C ATOM 851 CE2 TYR A 69 4.038 8.041 4.757 1.00 0.00 C ATOM 852 CZ TYR A 69 5.051 8.136 5.687 1.00 0.00 C ATOM 853 OH TYR A 69 5.709 9.332 5.864 1.00 0.00 O ATOM 0 H TYR A 69 2.817 1.981 5.790 1.00 0.00 H new ATOM 0 HA TYR A 69 2.636 4.475 7.253 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.715 3.649 4.822 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.274 4.515 4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.030 4.983 6.852 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.585 6.769 3.855 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.203 7.118 7.170 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.761 8.902 4.167 1.00 0.00 H new ATOM 0 HH TYR A 69 5.337 10.003 5.254 1.00 0.00 H new ATOM 863 N VAL A 70 0.076 3.247 5.582 1.00 0.00 N ATOM 864 CA VAL A 70 -1.365 3.395 5.387 1.00 0.00 C ATOM 865 C VAL A 70 -2.140 2.190 5.931 1.00 0.00 C ATOM 866 O VAL A 70 -1.592 1.096 6.068 1.00 0.00 O ATOM 867 CB VAL A 70 -1.701 3.602 3.894 1.00 0.00 C ATOM 868 CG1 VAL A 70 -0.492 4.145 3.147 1.00 0.00 C ATOM 869 CG2 VAL A 70 -2.190 2.311 3.251 1.00 0.00 C ATOM 0 H VAL A 70 0.479 2.409 5.164 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.673 4.278 5.947 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.508 4.332 3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.746 4.285 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.196 5.101 3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.334 3.439 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.418 2.491 2.200 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.414 1.549 3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.089 1.967 3.763 1.00 0.00 H new ATOM 879 N ALA A 71 -3.421 2.408 6.240 1.00 0.00 N ATOM 880 CA ALA A 71 -4.280 1.349 6.772 1.00 0.00 C ATOM 881 C ALA A 71 -5.462 1.078 5.841 1.00 0.00 C ATOM 882 O ALA A 71 -5.911 1.975 5.126 1.00 0.00 O ATOM 883 CB ALA A 71 -4.774 1.722 8.162 1.00 0.00 C ATOM 0 H ALA A 71 -3.886 3.309 6.130 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.690 0.435 6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.412 0.926 8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.921 1.857 8.827 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.343 2.650 8.109 1.00 0.00 H new ATOM 889 N PRO A 72 -5.975 -0.170 5.815 1.00 0.00 N ATOM 890 CA PRO A 72 -7.091 -0.550 4.943 1.00 0.00 C ATOM 891 C PRO A 72 -8.392 0.177 5.241 1.00 0.00 C ATOM 892 O PRO A 72 -8.801 0.321 6.393 1.00 0.00 O ATOM 893 CB PRO A 72 -7.270 -2.049 5.194 1.00 0.00 C ATOM 894 CG PRO A 72 -5.990 -2.492 5.800 1.00 0.00 C ATOM 895 CD PRO A 72 -5.497 -1.319 6.604 1.00 0.00 C ATOM 0 HA PRO A 72 -6.862 -0.288 3.910 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.110 -2.240 5.862 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.473 -2.583 4.266 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.138 -3.367 6.433 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.269 -2.772 5.032 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.908 -1.317 7.614 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.411 -1.321 6.702 1.00 0.00 H new ATOM 903 N MET A 73 -9.037 0.609 4.169 1.00 0.00 N ATOM 904 CA MET A 73 -10.307 1.305 4.240 1.00 0.00 C ATOM 905 C MET A 73 -11.451 0.311 4.428 1.00 0.00 C ATOM 906 O MET A 73 -11.884 -0.333 3.472 1.00 0.00 O ATOM 907 CB MET A 73 -10.516 2.084 2.948 1.00 0.00 C ATOM 908 CG MET A 73 -11.282 3.385 3.132 1.00 0.00 C ATOM 909 SD MET A 73 -12.471 3.687 1.811 1.00 0.00 S ATOM 910 CE MET A 73 -13.705 2.442 2.176 1.00 0.00 C ATOM 0 H MET A 73 -8.689 0.484 3.218 1.00 0.00 H new ATOM 0 HA MET A 73 -10.296 1.986 5.091 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.544 2.305 2.507 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.053 1.455 2.238 1.00 0.00 H new ATOM 0 HG2 MET A 73 -11.806 3.361 4.088 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.576 4.214 3.176 1.00 0.00 H new ATOM 0 HE1 MET A 73 -14.636 2.693 1.668 1.00 0.00 H new ATOM 0 HE2 MET A 73 -13.354 1.470 1.831 1.00 0.00 H new ATOM 0 HE3 MET A 73 -13.877 2.404 3.252 1.00 0.00 H new ATOM 975 N PRO B 77 5.503 6.497 10.581 1.00 0.00 N ATOM 976 CA PRO B 77 5.614 5.047 10.382 1.00 0.00 C ATOM 977 C PRO B 77 6.815 4.670 9.516 1.00 0.00 C ATOM 978 O PRO B 77 6.984 5.189 8.414 1.00 0.00 O ATOM 979 CB PRO B 77 4.308 4.681 9.674 1.00 0.00 C ATOM 980 CG PRO B 77 3.352 5.755 10.059 1.00 0.00 C ATOM 981 CD PRO B 77 4.174 7.006 10.191 1.00 0.00 C ATOM 0 HA PRO B 77 5.765 4.519 11.323 1.00 0.00 H new ATOM 0 HB2 PRO B 77 4.442 4.640 8.593 1.00 0.00 H new ATOM 0 HB3 PRO B 77 3.949 3.701 9.988 1.00 0.00 H new ATOM 0 HG2 PRO B 77 2.575 5.876 9.304 1.00 0.00 H new ATOM 0 HG3 PRO B 77 2.851 5.515 10.997 1.00 0.00 H new ATOM 0 HD2 PRO B 77 4.215 7.562 9.254 1.00 0.00 H new ATOM 0 HD3 PRO B 77 3.764 7.680 10.944 1.00 0.00 H new ATOM 989 N SER B 78 7.646 3.764 10.026 1.00 0.00 N ATOM 990 CA SER B 78 8.832 3.318 9.303 1.00 0.00 C ATOM 991 C SER B 78 8.590 1.976 8.632 1.00 0.00 C ATOM 992 O SER B 78 8.149 1.018 9.268 1.00 0.00 O ATOM 993 CB SER B 78 10.028 3.223 10.249 1.00 0.00 C ATOM 994 OG SER B 78 11.232 3.573 9.590 1.00 0.00 O ATOM 0 H SER B 78 7.519 3.325 10.938 1.00 0.00 H new ATOM 0 HA SER B 78 9.050 4.054 8.529 1.00 0.00 H new ATOM 0 HB2 SER B 78 9.873 3.883 11.103 1.00 0.00 H new ATOM 0 HB3 SER B 78 10.106 2.209 10.640 1.00 0.00 H new ATOM 0 HG SER B 78 11.981 3.505 10.219 1.00 0.00 H new ATOM 1000 N ILE B 79 8.880 1.919 7.338 1.00 0.00 N ATOM 1001 CA ILE B 79 8.693 0.702 6.568 1.00 0.00 C ATOM 1002 C ILE B 79 10.023 0.156 6.054 1.00 0.00 C ATOM 1003 O ILE B 79 10.868 0.903 5.559 1.00 0.00 O ATOM 1004 CB ILE B 79 7.720 0.942 5.388 1.00 0.00 C ATOM 1005 CG1 ILE B 79 6.395 0.219 5.649 1.00 0.00 C ATOM 1006 CG2 ILE B 79 8.325 0.503 4.059 1.00 0.00 C ATOM 1007 CD1 ILE B 79 6.482 -1.289 5.532 1.00 0.00 C ATOM 0 H ILE B 79 9.246 2.705 6.801 1.00 0.00 H new ATOM 0 HA ILE B 79 8.258 -0.043 7.234 1.00 0.00 H new ATOM 0 HB ILE B 79 7.532 2.013 5.317 1.00 0.00 H new ATOM 0 HG12 ILE B 79 6.044 0.476 6.648 1.00 0.00 H new ATOM 0 HG13 ILE B 79 5.648 0.585 4.945 1.00 0.00 H new ATOM 0 HG21 ILE B 79 7.612 0.688 3.256 1.00 0.00 H new ATOM 0 HG22 ILE B 79 9.238 1.068 3.871 1.00 0.00 H new ATOM 0 HG23 ILE B 79 8.559 -0.561 4.099 1.00 0.00 H new ATOM 0 HD11 ILE B 79 5.504 -1.726 5.731 1.00 0.00 H new ATOM 0 HD12 ILE B 79 6.802 -1.558 4.525 1.00 0.00 H new ATOM 0 HD13 ILE B 79 7.203 -1.669 6.256 1.00 0.00 H new ATOM 1019 N ASP B 80 10.190 -1.154 6.173 1.00 0.00 N ATOM 1020 CA ASP B 80 11.406 -1.820 5.717 1.00 0.00 C ATOM 1021 C ASP B 80 11.140 -2.586 4.424 1.00 0.00 C ATOM 1022 O ASP B 80 10.337 -3.518 4.397 1.00 0.00 O ATOM 1023 CB ASP B 80 11.929 -2.773 6.795 1.00 0.00 C ATOM 1024 CG ASP B 80 13.407 -2.580 7.072 1.00 0.00 C ATOM 1025 OD1 ASP B 80 13.933 -1.490 6.765 1.00 0.00 O ATOM 1026 OD2 ASP B 80 14.041 -3.521 7.594 1.00 0.00 O ATOM 0 H ASP B 80 9.497 -1.780 6.583 1.00 0.00 H new ATOM 0 HA ASP B 80 12.163 -1.060 5.524 1.00 0.00 H new ATOM 0 HB2 ASP B 80 11.367 -2.619 7.716 1.00 0.00 H new ATOM 0 HB3 ASP B 80 11.752 -3.802 6.482 1.00 0.00 H new ATOM 1031 N ARG B 81 11.813 -2.177 3.353 1.00 0.00 N ATOM 1032 CA ARG B 81 11.646 -2.815 2.051 1.00 0.00 C ATOM 1033 C ARG B 81 12.337 -4.176 2.006 1.00 0.00 C ATOM 1034 O ARG B 81 12.227 -4.906 1.021 1.00 0.00 O ATOM 1035 CB ARG B 81 12.200 -1.911 0.947 1.00 0.00 C ATOM 1036 CG ARG B 81 11.893 -0.437 1.161 1.00 0.00 C ATOM 1037 CD ARG B 81 11.804 0.314 -0.156 1.00 0.00 C ATOM 1038 NE ARG B 81 13.040 0.216 -0.928 1.00 0.00 N ATOM 1039 CZ ARG B 81 14.179 0.808 -0.576 1.00 0.00 C ATOM 1040 NH1 ARG B 81 14.240 1.536 0.531 1.00 0.00 N ATOM 1041 NH2 ARG B 81 15.259 0.671 -1.334 1.00 0.00 N ATOM 0 H ARG B 81 12.480 -1.405 3.361 1.00 0.00 H new ATOM 0 HA ARG B 81 10.580 -2.972 1.889 1.00 0.00 H new ATOM 0 HB2 ARG B 81 13.280 -2.044 0.887 1.00 0.00 H new ATOM 0 HB3 ARG B 81 11.786 -2.225 -0.011 1.00 0.00 H new ATOM 0 HG2 ARG B 81 10.952 -0.336 1.702 1.00 0.00 H new ATOM 0 HG3 ARG B 81 12.668 0.010 1.783 1.00 0.00 H new ATOM 0 HD2 ARG B 81 10.977 -0.083 -0.744 1.00 0.00 H new ATOM 0 HD3 ARG B 81 11.581 1.363 0.039 1.00 0.00 H new ATOM 0 HE ARG B 81 13.030 -0.337 -1.785 1.00 0.00 H new ATOM 0 HH11 ARG B 81 13.412 1.644 1.117 1.00 0.00 H new ATOM 0 HH12 ARG B 81 15.115 1.988 0.797 1.00 0.00 H new ATOM 0 HH21 ARG B 81 15.216 0.112 -2.186 1.00 0.00 H new ATOM 0 HH22 ARG B 81 16.132 1.125 -1.065 1.00 0.00 H new ATOM 1055 N SER B 82 13.051 -4.512 3.073 1.00 0.00 N ATOM 1056 CA SER B 82 13.761 -5.785 3.145 1.00 0.00 C ATOM 1057 C SER B 82 12.795 -6.953 3.340 1.00 0.00 C ATOM 1058 O SER B 82 13.220 -8.104 3.444 1.00 0.00 O ATOM 1059 CB SER B 82 14.781 -5.759 4.285 1.00 0.00 C ATOM 1060 OG SER B 82 14.183 -5.332 5.497 1.00 0.00 O ATOM 0 H SER B 82 13.154 -3.923 3.899 1.00 0.00 H new ATOM 0 HA SER B 82 14.281 -5.929 2.198 1.00 0.00 H new ATOM 0 HB2 SER B 82 15.208 -6.753 4.417 1.00 0.00 H new ATOM 0 HB3 SER B 82 15.603 -5.091 4.026 1.00 0.00 H new ATOM 0 HG SER B 82 14.663 -4.550 5.841 1.00 0.00 H new ATOM 1066 N THR B 83 11.499 -6.655 3.393 1.00 0.00 N ATOM 1067 CA THR B 83 10.486 -7.690 3.581 1.00 0.00 C ATOM 1068 C THR B 83 9.374 -7.589 2.535 1.00 0.00 C ATOM 1069 O THR B 83 8.244 -8.015 2.773 1.00 0.00 O ATOM 1070 CB THR B 83 9.870 -7.619 4.992 1.00 0.00 C ATOM 1071 OG1 THR B 83 8.904 -8.663 5.164 1.00 0.00 O ATOM 1072 CG2 THR B 83 9.214 -6.269 5.231 1.00 0.00 C ATOM 0 H THR B 83 11.127 -5.709 3.309 1.00 0.00 H new ATOM 0 HA THR B 83 10.991 -8.648 3.461 1.00 0.00 H new ATOM 0 HB THR B 83 10.673 -7.748 5.718 1.00 0.00 H new ATOM 0 HG1 THR B 83 8.203 -8.576 4.484 1.00 0.00 H new ATOM 0 HG21 THR B 83 8.787 -6.244 6.234 1.00 0.00 H new ATOM 0 HG22 THR B 83 9.960 -5.480 5.135 1.00 0.00 H new ATOM 0 HG23 THR B 83 8.424 -6.113 4.496 1.00 0.00 H new ATOM 1080 N LYS B 84 9.704 -7.028 1.373 1.00 0.00 N ATOM 1081 CA LYS B 84 8.734 -6.880 0.289 1.00 0.00 C ATOM 1082 C LYS B 84 8.114 -8.231 -0.073 1.00 0.00 C ATOM 1083 O LYS B 84 8.686 -9.278 0.229 1.00 0.00 O ATOM 1084 CB LYS B 84 9.413 -6.270 -0.939 1.00 0.00 C ATOM 1085 CG LYS B 84 9.316 -4.755 -0.998 1.00 0.00 C ATOM 1086 CD LYS B 84 10.642 -4.126 -1.394 1.00 0.00 C ATOM 1087 CE LYS B 84 10.765 -3.988 -2.903 1.00 0.00 C ATOM 1088 NZ LYS B 84 11.858 -4.839 -3.450 1.00 0.00 N ATOM 0 H LYS B 84 10.634 -6.669 1.158 1.00 0.00 H new ATOM 0 HA LYS B 84 7.938 -6.216 0.627 1.00 0.00 H new ATOM 0 HB2 LYS B 84 10.464 -6.559 -0.944 1.00 0.00 H new ATOM 0 HB3 LYS B 84 8.963 -6.690 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS B 84 8.547 -4.466 -1.715 1.00 0.00 H new ATOM 0 HG3 LYS B 84 9.006 -4.371 -0.026 1.00 0.00 H new ATOM 0 HD2 LYS B 84 10.733 -3.144 -0.929 1.00 0.00 H new ATOM 0 HD3 LYS B 84 11.462 -4.736 -1.015 1.00 0.00 H new ATOM 0 HE2 LYS B 84 9.820 -4.265 -3.371 1.00 0.00 H new ATOM 0 HE3 LYS B 84 10.954 -2.945 -3.158 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 11.910 -4.717 -4.482 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 12.764 -4.559 -3.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 11.665 -5.837 -3.229 1.00 0.00 H new ATOM 1102 N PRO B 85 6.928 -8.231 -0.724 1.00 0.00 N ATOM 1103 CA PRO B 85 6.244 -9.469 -1.115 1.00 0.00 C ATOM 1104 C PRO B 85 7.172 -10.457 -1.808 1.00 0.00 C ATOM 1105 O PRO B 85 7.523 -10.284 -2.975 1.00 0.00 O ATOM 1106 CB PRO B 85 5.163 -8.981 -2.079 1.00 0.00 C ATOM 1107 CG PRO B 85 4.858 -7.598 -1.621 1.00 0.00 C ATOM 1108 CD PRO B 85 6.161 -7.033 -1.124 1.00 0.00 C ATOM 0 HA PRO B 85 5.856 -10.010 -0.252 1.00 0.00 H new ATOM 0 HB2 PRO B 85 5.516 -8.990 -3.110 1.00 0.00 H new ATOM 0 HB3 PRO B 85 4.279 -9.617 -2.040 1.00 0.00 H new ATOM 0 HG2 PRO B 85 4.457 -6.996 -2.436 1.00 0.00 H new ATOM 0 HG3 PRO B 85 4.108 -7.605 -0.830 1.00 0.00 H new ATOM 0 HD2 PRO B 85 6.676 -6.468 -1.901 1.00 0.00 H new ATOM 0 HD3 PRO B 85 6.010 -6.355 -0.284 1.00 0.00 H new ATOM 1116 N ALA B 86 7.567 -11.493 -1.078 1.00 0.00 N ATOM 1117 CA ALA B 86 8.457 -12.513 -1.620 1.00 0.00 C ATOM 1118 C ALA B 86 7.966 -13.912 -1.265 1.00 0.00 C ATOM 1119 O ALA B 86 7.500 -14.624 -2.179 1.00 0.00 O ATOM 1120 CB ALA B 86 9.873 -12.301 -1.107 1.00 0.00 C ATOM 1121 OXT ALA B 86 8.052 -14.285 -0.076 1.00 0.00 O ATOM 0 H ALA B 86 7.286 -11.649 -0.110 1.00 0.00 H new ATOM 0 HA ALA B 86 8.459 -12.422 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA B 86 10.528 -13.069 -1.519 1.00 0.00 H new ATOM 0 HB2 ALA B 86 10.228 -11.318 -1.415 1.00 0.00 H new ATOM 0 HB3 ALA B 86 9.879 -12.364 -0.019 1.00 0.00 H new