USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 377 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 5 GLN : amide:sc= -0.495 K(o=-0.42,f=0.34) USER MOD Set 1.2: A 37 ASN : amide:sc= 0.0138 K(o=-0.42,f=0.34) USER MOD Set 1.3: A 48 TYR OH : rot 180:sc= 0.0643 USER MOD Set 2.1: A 18 ASN : amide:sc= 1.12 K(o=2.1,f=0.71) USER MOD Set 2.2: A 35 SER OG : rot 180:sc= 0.953 USER MOD Set 3.1: A 10 THR OG1 : rot 100:sc= 0.605 USER MOD Set 3.2: A 24 GLN : amide:sc= -1.46 K(o=-0.85,f=-4.1!) USER MOD Single : A 1 GLN : amide:sc= -0.563 K(o=-0.56,f=0) USER MOD Single : A 1 GLN N :NH3+ -165:sc= 1.22 (180deg=1.01) USER MOD Single : A 2 LYS NZ :NH3+ -169:sc= 0.381 (180deg=0.263) USER MOD Single : A 8 SER OG : rot 143:sc= 0.72 USER MOD Single : A 12 SER OG : rot 44:sc= 0.0732 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -1.17 K(o=-1.2,f=-7.9!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.471 K(o=0.47,f=-5.9!) USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= -0.0959 (180deg=-0.487) USER MOD Single : A 33 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-0.76) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-0.47) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 11.146 -7.039 -9.730 1.00 0.00 N ATOM 2 CA GLN A 1 10.519 -5.740 -9.927 1.00 0.00 C ATOM 3 C GLN A 1 9.092 -5.911 -10.387 1.00 0.00 C ATOM 4 O GLN A 1 8.829 -6.120 -11.574 1.00 0.00 O ATOM 5 CB GLN A 1 11.285 -4.863 -10.932 1.00 0.00 C ATOM 6 CG GLN A 1 12.684 -4.464 -10.497 1.00 0.00 C ATOM 7 CD GLN A 1 13.356 -3.487 -11.459 1.00 0.00 C ATOM 8 OE1 GLN A 1 14.156 -2.655 -11.045 1.00 0.00 O ATOM 9 NE2 GLN A 1 13.063 -3.584 -12.736 1.00 0.00 N ATOM 0 H1 GLN A 1 12.022 -6.922 -9.181 1.00 0.00 H new ATOM 0 H2 GLN A 1 10.495 -7.664 -9.214 1.00 0.00 H new ATOM 0 H3 GLN A 1 11.370 -7.460 -10.654 1.00 0.00 H new ATOM 0 HA GLN A 1 10.539 -5.230 -8.964 1.00 0.00 H new ATOM 0 HB2 GLN A 1 11.354 -5.397 -11.880 1.00 0.00 H new ATOM 0 HB3 GLN A 1 10.706 -3.958 -11.117 1.00 0.00 H new ATOM 0 HG2 GLN A 1 12.635 -4.013 -9.506 1.00 0.00 H new ATOM 0 HG3 GLN A 1 13.300 -5.359 -10.409 1.00 0.00 H new ATOM 0 HE21 GLN A 1 12.394 -4.285 -13.054 1.00 0.00 H new ATOM 0 HE22 GLN A 1 13.505 -2.958 -13.410 1.00 0.00 H new ATOM 20 N LYS A 2 8.197 -5.891 -9.451 1.00 0.00 N ATOM 21 CA LYS A 2 6.782 -5.942 -9.680 1.00 0.00 C ATOM 22 C LYS A 2 6.130 -5.445 -8.430 1.00 0.00 C ATOM 23 O LYS A 2 6.656 -5.662 -7.344 1.00 0.00 O ATOM 24 CB LYS A 2 6.279 -7.376 -9.972 1.00 0.00 C ATOM 25 CG LYS A 2 4.757 -7.448 -10.136 1.00 0.00 C ATOM 26 CD LYS A 2 4.241 -8.854 -10.330 1.00 0.00 C ATOM 27 CE LYS A 2 2.716 -8.866 -10.386 1.00 0.00 C ATOM 28 NZ LYS A 2 2.091 -8.438 -9.102 1.00 0.00 N ATOM 0 H LYS A 2 8.440 -5.836 -8.462 1.00 0.00 H new ATOM 0 HA LYS A 2 6.538 -5.337 -10.554 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.756 -7.746 -10.880 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.584 -8.036 -9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.283 -7.013 -9.256 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.462 -6.839 -10.991 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.647 -9.272 -11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.585 -9.489 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.380 -8.207 -11.186 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.373 -9.870 -10.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.071 -8.639 -9.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.526 -8.958 -8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.239 -7.417 -8.967 1.00 0.00 H new ATOM 42 N LEU A 3 5.044 -4.762 -8.559 1.00 0.00 N ATOM 43 CA LEU A 3 4.318 -4.338 -7.415 1.00 0.00 C ATOM 44 C LEU A 3 3.485 -5.486 -6.919 1.00 0.00 C ATOM 45 O LEU A 3 2.556 -5.951 -7.605 1.00 0.00 O ATOM 46 CB LEU A 3 3.458 -3.125 -7.717 1.00 0.00 C ATOM 47 CG LEU A 3 4.209 -1.868 -8.140 1.00 0.00 C ATOM 48 CD1 LEU A 3 3.239 -0.733 -8.384 1.00 0.00 C ATOM 49 CD2 LEU A 3 5.243 -1.477 -7.088 1.00 0.00 C ATOM 0 H LEU A 3 4.638 -4.485 -9.453 1.00 0.00 H new ATOM 0 HA LEU A 3 5.020 -4.035 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.755 -3.389 -8.507 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.868 -2.892 -6.831 1.00 0.00 H new ATOM 0 HG LEU A 3 4.736 -2.078 -9.071 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.790 0.158 -8.685 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.542 -1.013 -9.174 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.685 -0.525 -7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.767 -0.577 -7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.742 -1.285 -6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.959 -2.289 -6.962 1.00 0.00 H new ATOM 61 N CYS A 4 3.857 -5.979 -5.799 1.00 0.00 N ATOM 62 CA CYS A 4 3.182 -7.057 -5.167 1.00 0.00 C ATOM 63 C CYS A 4 2.328 -6.510 -4.050 1.00 0.00 C ATOM 64 O CYS A 4 2.794 -5.677 -3.255 1.00 0.00 O ATOM 65 CB CYS A 4 4.197 -8.096 -4.668 1.00 0.00 C ATOM 66 SG CYS A 4 5.607 -7.403 -3.734 1.00 0.00 S ATOM 0 H CYS A 4 4.664 -5.636 -5.277 1.00 0.00 H new ATOM 0 HA CYS A 4 2.530 -7.566 -5.877 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.678 -8.815 -4.034 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.583 -8.647 -5.526 1.00 0.00 H new ATOM 71 N GLN A 5 1.072 -6.903 -4.026 1.00 0.00 N ATOM 72 CA GLN A 5 0.170 -6.414 -3.017 1.00 0.00 C ATOM 73 C GLN A 5 0.379 -7.136 -1.706 1.00 0.00 C ATOM 74 O GLN A 5 0.628 -8.344 -1.671 1.00 0.00 O ATOM 75 CB GLN A 5 -1.301 -6.491 -3.450 1.00 0.00 C ATOM 76 CG GLN A 5 -1.837 -7.888 -3.722 1.00 0.00 C ATOM 77 CD GLN A 5 -3.347 -7.915 -3.947 1.00 0.00 C ATOM 78 OE1 GLN A 5 -4.008 -8.912 -3.650 1.00 0.00 O ATOM 79 NE2 GLN A 5 -3.913 -6.831 -4.435 1.00 0.00 N ATOM 0 H GLN A 5 0.659 -7.556 -4.692 1.00 0.00 H new ATOM 0 HA GLN A 5 0.405 -5.359 -2.876 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.913 -6.032 -2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.427 -5.892 -4.352 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.337 -8.298 -4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.589 -8.536 -2.882 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.342 -6.020 -4.672 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.923 -6.802 -4.576 1.00 0.00 H new ATOM 88 N ARG A 6 0.301 -6.401 -0.658 1.00 0.00 N ATOM 89 CA ARG A 6 0.457 -6.908 0.661 1.00 0.00 C ATOM 90 C ARG A 6 -0.594 -6.284 1.530 1.00 0.00 C ATOM 91 O ARG A 6 -0.776 -5.040 1.484 1.00 0.00 O ATOM 92 CB ARG A 6 1.845 -6.565 1.202 1.00 0.00 C ATOM 93 CG ARG A 6 2.096 -7.028 2.634 1.00 0.00 C ATOM 94 CD ARG A 6 3.502 -6.686 3.075 1.00 0.00 C ATOM 95 NE ARG A 6 4.498 -7.301 2.191 1.00 0.00 N ATOM 96 CZ ARG A 6 5.775 -6.928 2.087 1.00 0.00 C ATOM 97 NH1 ARG A 6 6.273 -5.981 2.884 1.00 0.00 N ATOM 98 NH2 ARG A 6 6.555 -7.519 1.198 1.00 0.00 N ATOM 0 H ARG A 6 0.121 -5.398 -0.693 1.00 0.00 H new ATOM 0 HA ARG A 6 0.351 -7.993 0.655 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.596 -7.013 0.551 1.00 0.00 H new ATOM 0 HB3 ARG A 6 1.984 -5.485 1.153 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.376 -6.557 3.304 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.940 -8.105 2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.632 -5.604 3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.659 -7.028 4.098 1.00 0.00 H new ATOM 0 HE ARG A 6 4.189 -8.078 1.607 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.676 -5.535 3.581 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.250 -5.703 2.797 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.179 -8.254 0.598 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.532 -7.240 1.112 1.00 0.00 H new ATOM 112 N PRO A 7 -1.366 -7.121 2.268 1.00 0.00 N ATOM 113 CA PRO A 7 -2.343 -6.643 3.231 1.00 0.00 C ATOM 114 C PRO A 7 -1.688 -5.668 4.182 1.00 0.00 C ATOM 115 O PRO A 7 -0.846 -6.044 5.007 1.00 0.00 O ATOM 116 CB PRO A 7 -2.777 -7.903 3.973 1.00 0.00 C ATOM 117 CG PRO A 7 -2.552 -9.000 3.002 1.00 0.00 C ATOM 118 CD PRO A 7 -1.351 -8.599 2.193 1.00 0.00 C ATOM 0 HA PRO A 7 -3.182 -6.122 2.769 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.192 -8.050 4.881 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.823 -7.847 4.273 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.378 -9.946 3.515 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.424 -9.140 2.363 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.431 -9.013 2.606 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.424 -8.950 1.164 1.00 0.00 H new ATOM 126 N SER A 8 -2.013 -4.438 3.976 1.00 0.00 N ATOM 127 CA SER A 8 -1.492 -3.316 4.667 1.00 0.00 C ATOM 128 C SER A 8 -1.643 -3.471 6.177 1.00 0.00 C ATOM 129 O SER A 8 -2.712 -3.858 6.670 1.00 0.00 O ATOM 130 CB SER A 8 -2.304 -2.171 4.176 1.00 0.00 C ATOM 131 OG SER A 8 -2.551 -2.340 2.796 1.00 0.00 O ATOM 0 H SER A 8 -2.699 -4.175 3.269 1.00 0.00 H new ATOM 0 HA SER A 8 -0.425 -3.186 4.486 1.00 0.00 H new ATOM 0 HB2 SER A 8 -3.245 -2.115 4.723 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.777 -1.233 4.352 1.00 0.00 H new ATOM 0 HG SER A 8 -3.458 -2.034 2.586 1.00 0.00 H new ATOM 137 N GLY A 9 -0.591 -3.191 6.897 1.00 0.00 N ATOM 138 CA GLY A 9 -0.641 -3.321 8.318 1.00 0.00 C ATOM 139 C GLY A 9 -0.898 -1.999 8.968 1.00 0.00 C ATOM 140 O GLY A 9 -1.531 -1.930 10.018 1.00 0.00 O ATOM 0 H GLY A 9 0.303 -2.874 6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.426 -4.025 8.595 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.300 -3.733 8.683 1.00 0.00 H new ATOM 144 N THR A 10 -0.409 -0.944 8.351 1.00 0.00 N ATOM 145 CA THR A 10 -0.626 0.380 8.864 1.00 0.00 C ATOM 146 C THR A 10 -2.078 0.836 8.599 1.00 0.00 C ATOM 147 O THR A 10 -2.700 1.499 9.447 1.00 0.00 O ATOM 148 CB THR A 10 0.412 1.400 8.318 1.00 0.00 C ATOM 149 OG1 THR A 10 0.164 2.677 8.878 1.00 0.00 O ATOM 150 CG2 THR A 10 0.382 1.498 6.796 1.00 0.00 C ATOM 0 H THR A 10 0.141 -0.984 7.493 1.00 0.00 H new ATOM 0 HA THR A 10 -0.478 0.344 9.943 1.00 0.00 H new ATOM 0 HB THR A 10 1.401 1.045 8.606 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.786 2.836 9.618 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.125 2.223 6.463 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.608 0.523 6.364 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.608 1.818 6.471 1.00 0.00 H new ATOM 158 N TRP A 11 -2.599 0.473 7.438 1.00 0.00 N ATOM 159 CA TRP A 11 -3.989 0.706 7.074 1.00 0.00 C ATOM 160 C TRP A 11 -4.946 0.038 8.053 1.00 0.00 C ATOM 161 O TRP A 11 -4.769 -1.132 8.434 1.00 0.00 O ATOM 162 CB TRP A 11 -4.253 0.233 5.618 1.00 0.00 C ATOM 163 CG TRP A 11 -5.665 -0.272 5.331 1.00 0.00 C ATOM 164 CD1 TRP A 11 -6.763 0.458 4.977 1.00 0.00 C ATOM 165 CD2 TRP A 11 -6.108 -1.650 5.369 1.00 0.00 C ATOM 166 NE1 TRP A 11 -7.852 -0.365 4.840 1.00 0.00 N ATOM 167 CE2 TRP A 11 -7.472 -1.656 5.068 1.00 0.00 C ATOM 168 CE3 TRP A 11 -5.479 -2.871 5.644 1.00 0.00 C ATOM 169 CZ2 TRP A 11 -8.216 -2.826 5.030 1.00 0.00 C ATOM 170 CZ3 TRP A 11 -6.216 -4.030 5.599 1.00 0.00 C ATOM 171 CH2 TRP A 11 -7.572 -4.001 5.294 1.00 0.00 C ATOM 0 H TRP A 11 -2.061 0.001 6.711 1.00 0.00 H new ATOM 0 HA TRP A 11 -4.175 1.779 7.127 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -4.039 1.061 4.942 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -3.547 -0.563 5.381 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.773 1.527 4.827 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.797 -0.060 4.605 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -4.427 -2.901 5.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -9.271 -2.808 4.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.736 -4.975 5.803 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -8.128 -4.927 5.265 1.00 0.00 H new ATOM 182 N SER A 12 -5.916 0.797 8.461 1.00 0.00 N ATOM 183 CA SER A 12 -6.974 0.355 9.306 1.00 0.00 C ATOM 184 C SER A 12 -8.162 1.271 9.096 1.00 0.00 C ATOM 185 O SER A 12 -8.197 2.395 9.607 1.00 0.00 O ATOM 186 CB SER A 12 -6.521 0.318 10.776 1.00 0.00 C ATOM 187 OG SER A 12 -5.804 1.502 11.130 1.00 0.00 O ATOM 0 H SER A 12 -5.992 1.781 8.202 1.00 0.00 H new ATOM 0 HA SER A 12 -7.263 -0.664 9.050 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.391 0.210 11.424 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.890 -0.555 10.942 1.00 0.00 H new ATOM 0 HG SER A 12 -6.269 2.286 10.770 1.00 0.00 H new ATOM 193 N GLY A 13 -9.077 0.843 8.275 1.00 0.00 N ATOM 194 CA GLY A 13 -10.228 1.632 7.989 1.00 0.00 C ATOM 195 C GLY A 13 -10.645 1.476 6.560 1.00 0.00 C ATOM 196 O GLY A 13 -10.319 0.471 5.922 1.00 0.00 O ATOM 0 H GLY A 13 -9.043 -0.055 7.792 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.047 1.337 8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.015 2.681 8.197 1.00 0.00 H new ATOM 200 N VAL A 14 -11.341 2.441 6.044 1.00 0.00 N ATOM 201 CA VAL A 14 -11.807 2.384 4.679 1.00 0.00 C ATOM 202 C VAL A 14 -10.778 3.041 3.764 1.00 0.00 C ATOM 203 O VAL A 14 -10.011 3.910 4.199 1.00 0.00 O ATOM 204 CB VAL A 14 -13.192 3.095 4.518 1.00 0.00 C ATOM 205 CG1 VAL A 14 -13.086 4.602 4.756 1.00 0.00 C ATOM 206 CG2 VAL A 14 -13.820 2.797 3.158 1.00 0.00 C ATOM 0 H VAL A 14 -11.605 3.288 6.547 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.934 1.337 4.404 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.851 2.687 5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -14.068 5.059 4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.722 4.786 5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.392 5.036 4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -14.780 3.307 3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.158 3.149 2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.970 1.722 3.054 1.00 0.00 H new ATOM 216 N CYS A 15 -10.715 2.600 2.546 1.00 0.00 N ATOM 217 CA CYS A 15 -9.890 3.232 1.575 1.00 0.00 C ATOM 218 C CYS A 15 -10.757 4.228 0.849 1.00 0.00 C ATOM 219 O CYS A 15 -11.591 3.848 0.029 1.00 0.00 O ATOM 220 CB CYS A 15 -9.330 2.210 0.593 1.00 0.00 C ATOM 221 SG CYS A 15 -8.097 2.875 -0.564 1.00 0.00 S ATOM 0 H CYS A 15 -11.235 1.793 2.201 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.041 3.721 2.053 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.878 1.393 1.156 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.155 1.785 0.021 1.00 0.00 H new ATOM 226 N GLY A 16 -10.633 5.474 1.206 1.00 0.00 N ATOM 227 CA GLY A 16 -11.431 6.484 0.586 1.00 0.00 C ATOM 228 C GLY A 16 -10.764 7.047 -0.624 1.00 0.00 C ATOM 229 O GLY A 16 -11.418 7.379 -1.607 1.00 0.00 O ATOM 0 H GLY A 16 -9.988 5.811 1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.397 6.064 0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.625 7.284 1.300 1.00 0.00 H new ATOM 233 N ASN A 17 -9.463 7.163 -0.565 1.00 0.00 N ATOM 234 CA ASN A 17 -8.709 7.670 -1.684 1.00 0.00 C ATOM 235 C ASN A 17 -7.517 6.816 -1.955 1.00 0.00 C ATOM 236 O ASN A 17 -6.716 6.535 -1.051 1.00 0.00 O ATOM 237 CB ASN A 17 -8.276 9.130 -1.501 1.00 0.00 C ATOM 238 CG ASN A 17 -9.396 10.128 -1.662 1.00 0.00 C ATOM 239 OD1 ASN A 17 -9.677 10.576 -2.766 1.00 0.00 O ATOM 240 ND2 ASN A 17 -10.028 10.496 -0.577 1.00 0.00 N ATOM 0 H ASN A 17 -8.901 6.913 0.249 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.380 7.637 -2.542 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.839 9.247 -0.509 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.493 9.359 -2.223 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.784 11.179 -0.634 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.765 10.100 0.325 1.00 0.00 H new ATOM 247 N ASN A 18 -7.396 6.416 -3.204 1.00 0.00 N ATOM 248 CA ASN A 18 -6.298 5.589 -3.688 1.00 0.00 C ATOM 249 C ASN A 18 -4.990 6.314 -3.471 1.00 0.00 C ATOM 250 O ASN A 18 -4.049 5.764 -2.919 1.00 0.00 O ATOM 251 CB ASN A 18 -6.479 5.311 -5.188 1.00 0.00 C ATOM 252 CG ASN A 18 -7.722 4.505 -5.519 1.00 0.00 C ATOM 253 OD1 ASN A 18 -8.819 5.057 -5.631 1.00 0.00 O ATOM 254 ND2 ASN A 18 -7.565 3.227 -5.764 1.00 0.00 N ATOM 0 H ASN A 18 -8.070 6.659 -3.930 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.292 4.645 -3.143 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.521 6.261 -5.721 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.603 4.777 -5.557 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.362 2.662 -6.056 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.645 2.798 -5.663 1.00 0.00 H new ATOM 261 N ASN A 19 -4.964 7.583 -3.862 1.00 0.00 N ATOM 262 CA ASN A 19 -3.776 8.425 -3.709 1.00 0.00 C ATOM 263 C ASN A 19 -3.401 8.633 -2.245 1.00 0.00 C ATOM 264 O ASN A 19 -2.223 8.627 -1.889 1.00 0.00 O ATOM 265 CB ASN A 19 -3.901 9.787 -4.460 1.00 0.00 C ATOM 266 CG ASN A 19 -5.151 10.614 -4.141 1.00 0.00 C ATOM 267 OD1 ASN A 19 -5.745 10.512 -3.073 1.00 0.00 O ATOM 268 ND2 ASN A 19 -5.551 11.447 -5.063 1.00 0.00 N ATOM 0 H ASN A 19 -5.758 8.058 -4.291 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.961 7.877 -4.181 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.022 10.389 -4.230 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.882 9.592 -5.532 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.373 12.029 -4.902 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.042 11.515 -5.944 1.00 0.00 H new ATOM 275 N ALA A 20 -4.405 8.750 -1.404 1.00 0.00 N ATOM 276 CA ALA A 20 -4.213 8.987 0.007 1.00 0.00 C ATOM 277 C ALA A 20 -3.629 7.776 0.693 1.00 0.00 C ATOM 278 O ALA A 20 -2.660 7.895 1.428 1.00 0.00 O ATOM 279 CB ALA A 20 -5.520 9.392 0.668 1.00 0.00 C ATOM 0 H ALA A 20 -5.384 8.683 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.503 9.807 0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.352 9.566 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.894 10.306 0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.253 8.596 0.542 1.00 0.00 H new ATOM 285 N CYS A 21 -4.182 6.600 0.437 1.00 0.00 N ATOM 286 CA CYS A 21 -3.684 5.424 1.116 1.00 0.00 C ATOM 287 C CYS A 21 -2.359 4.977 0.506 1.00 0.00 C ATOM 288 O CYS A 21 -1.546 4.359 1.174 1.00 0.00 O ATOM 289 CB CYS A 21 -4.695 4.292 1.141 1.00 0.00 C ATOM 290 SG CYS A 21 -4.880 3.402 -0.416 1.00 0.00 S ATOM 0 H CYS A 21 -4.950 6.440 -0.215 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.511 5.699 2.156 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.404 3.582 1.916 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.665 4.698 1.428 1.00 0.00 H new ATOM 295 N LYS A 22 -2.143 5.327 -0.772 1.00 0.00 N ATOM 296 CA LYS A 22 -0.874 5.107 -1.451 1.00 0.00 C ATOM 297 C LYS A 22 0.209 5.763 -0.612 1.00 0.00 C ATOM 298 O LYS A 22 1.131 5.101 -0.100 1.00 0.00 O ATOM 299 CB LYS A 22 -0.926 5.794 -2.825 1.00 0.00 C ATOM 300 CG LYS A 22 0.274 5.562 -3.737 1.00 0.00 C ATOM 301 CD LYS A 22 0.245 6.517 -4.938 1.00 0.00 C ATOM 302 CE LYS A 22 -1.036 6.399 -5.754 1.00 0.00 C ATOM 303 NZ LYS A 22 -1.122 7.420 -6.822 1.00 0.00 N ATOM 0 H LYS A 22 -2.851 5.771 -1.357 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.675 4.043 -1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.822 5.455 -3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.035 6.867 -2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.196 5.707 -3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.274 4.530 -4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.352 7.542 -4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.101 6.311 -5.581 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.089 5.406 -6.200 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.896 6.497 -5.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.011 7.298 -7.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.099 8.369 -6.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.317 7.311 -7.472 1.00 0.00 H new ATOM 317 N ASN A 23 0.026 7.056 -0.403 1.00 0.00 N ATOM 318 CA ASN A 23 0.920 7.870 0.381 1.00 0.00 C ATOM 319 C ASN A 23 0.964 7.398 1.833 1.00 0.00 C ATOM 320 O ASN A 23 2.019 7.404 2.454 1.00 0.00 O ATOM 321 CB ASN A 23 0.492 9.338 0.276 1.00 0.00 C ATOM 322 CG ASN A 23 1.226 10.258 1.223 1.00 0.00 C ATOM 323 OD1 ASN A 23 2.318 10.750 0.928 1.00 0.00 O ATOM 324 ND2 ASN A 23 0.627 10.525 2.341 1.00 0.00 N ATOM 0 H ASN A 23 -0.766 7.573 -0.784 1.00 0.00 H new ATOM 0 HA ASN A 23 1.932 7.773 -0.012 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.653 9.681 -0.746 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.578 9.409 0.472 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.058 11.161 3.011 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.276 10.099 2.550 1.00 0.00 H new ATOM 331 N GLN A 24 -0.177 6.962 2.346 1.00 0.00 N ATOM 332 CA GLN A 24 -0.288 6.450 3.708 1.00 0.00 C ATOM 333 C GLN A 24 0.613 5.218 3.876 1.00 0.00 C ATOM 334 O GLN A 24 1.331 5.105 4.869 1.00 0.00 O ATOM 335 CB GLN A 24 -1.772 6.141 4.035 1.00 0.00 C ATOM 336 CG GLN A 24 -2.104 5.878 5.508 1.00 0.00 C ATOM 337 CD GLN A 24 -1.680 4.517 6.028 1.00 0.00 C ATOM 338 OE1 GLN A 24 -1.666 3.533 5.303 1.00 0.00 O ATOM 339 NE2 GLN A 24 -1.326 4.463 7.285 1.00 0.00 N ATOM 0 H GLN A 24 -1.056 6.952 1.829 1.00 0.00 H new ATOM 0 HA GLN A 24 0.053 7.204 4.418 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.379 6.979 3.692 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.075 5.269 3.455 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.627 6.647 6.115 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.180 5.984 5.647 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.351 5.306 7.859 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.025 3.578 7.692 1.00 0.00 H new ATOM 348 N CYS A 25 0.631 4.343 2.878 1.00 0.00 N ATOM 349 CA CYS A 25 1.477 3.172 2.938 1.00 0.00 C ATOM 350 C CYS A 25 2.926 3.625 2.941 1.00 0.00 C ATOM 351 O CYS A 25 3.682 3.387 3.917 1.00 0.00 O ATOM 352 CB CYS A 25 1.232 2.227 1.739 1.00 0.00 C ATOM 353 SG CYS A 25 -0.377 1.372 1.691 1.00 0.00 S ATOM 0 H CYS A 25 0.073 4.426 2.028 1.00 0.00 H new ATOM 0 HA CYS A 25 1.242 2.618 3.847 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.338 2.806 0.822 1.00 0.00 H new ATOM 0 HB3 CYS A 25 2.019 1.473 1.733 1.00 0.00 H new ATOM 358 N ILE A 26 3.258 4.393 1.907 1.00 0.00 N ATOM 359 CA ILE A 26 4.598 4.907 1.629 1.00 0.00 C ATOM 360 C ILE A 26 5.188 5.671 2.825 1.00 0.00 C ATOM 361 O ILE A 26 6.382 5.576 3.109 1.00 0.00 O ATOM 362 CB ILE A 26 4.528 5.821 0.377 1.00 0.00 C ATOM 363 CG1 ILE A 26 4.112 4.995 -0.840 1.00 0.00 C ATOM 364 CG2 ILE A 26 5.850 6.526 0.113 1.00 0.00 C ATOM 365 CD1 ILE A 26 3.640 5.824 -2.000 1.00 0.00 C ATOM 0 H ILE A 26 2.573 4.687 1.211 1.00 0.00 H new ATOM 0 HA ILE A 26 5.262 4.063 1.443 1.00 0.00 H new ATOM 0 HB ILE A 26 3.783 6.594 0.566 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.957 4.386 -1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.317 4.309 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.756 7.155 -0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.110 7.144 0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.632 5.784 -0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.362 5.169 -2.826 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.775 6.414 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.440 6.492 -2.320 1.00 0.00 H new ATOM 377 N ARG A 27 4.356 6.385 3.533 1.00 0.00 N ATOM 378 CA ARG A 27 4.814 7.147 4.660 1.00 0.00 C ATOM 379 C ARG A 27 4.848 6.373 5.959 1.00 0.00 C ATOM 380 O ARG A 27 5.632 6.715 6.850 1.00 0.00 O ATOM 381 CB ARG A 27 4.015 8.412 4.847 1.00 0.00 C ATOM 382 CG ARG A 27 4.255 9.448 3.783 1.00 0.00 C ATOM 383 CD ARG A 27 3.554 10.717 4.149 1.00 0.00 C ATOM 384 NE ARG A 27 3.741 11.762 3.147 1.00 0.00 N ATOM 385 CZ ARG A 27 4.134 13.019 3.411 1.00 0.00 C ATOM 386 NH1 ARG A 27 4.446 13.385 4.652 1.00 0.00 N ATOM 387 NH2 ARG A 27 4.227 13.900 2.434 1.00 0.00 N ATOM 0 H ARG A 27 3.355 6.454 3.348 1.00 0.00 H new ATOM 0 HA ARG A 27 5.845 7.401 4.413 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.954 8.161 4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.256 8.842 5.819 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.324 9.630 3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.893 9.086 2.821 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.489 10.519 4.270 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.924 11.069 5.112 1.00 0.00 H new ATOM 0 HE ARG A 27 3.560 11.519 2.173 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.388 12.708 5.413 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.743 14.342 4.842 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.000 13.627 1.478 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.525 14.854 2.635 1.00 0.00 H new ATOM 401 N LEU A 28 4.045 5.334 6.102 1.00 0.00 N ATOM 402 CA LEU A 28 3.997 4.682 7.402 1.00 0.00 C ATOM 403 C LEU A 28 4.740 3.368 7.448 1.00 0.00 C ATOM 404 O LEU A 28 5.582 3.172 8.325 1.00 0.00 O ATOM 405 CB LEU A 28 2.585 4.607 8.031 1.00 0.00 C ATOM 406 CG LEU A 28 1.983 5.940 8.566 1.00 0.00 C ATOM 407 CD1 LEU A 28 1.543 6.887 7.463 1.00 0.00 C ATOM 408 CD2 LEU A 28 0.861 5.692 9.559 1.00 0.00 C ATOM 0 H LEU A 28 3.446 4.938 5.378 1.00 0.00 H new ATOM 0 HA LEU A 28 4.552 5.355 8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.902 4.201 7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.618 3.894 8.855 1.00 0.00 H new ATOM 0 HG LEU A 28 2.796 6.441 9.092 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.133 7.795 7.905 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.400 7.142 6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.780 6.405 6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.467 6.646 9.909 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.065 5.127 9.075 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.244 5.125 10.407 1.00 0.00 H new ATOM 420 N GLU A 29 4.472 2.476 6.514 1.00 0.00 N ATOM 421 CA GLU A 29 5.217 1.220 6.486 1.00 0.00 C ATOM 422 C GLU A 29 6.155 1.194 5.305 1.00 0.00 C ATOM 423 O GLU A 29 6.851 0.220 5.062 1.00 0.00 O ATOM 424 CB GLU A 29 4.324 -0.027 6.555 1.00 0.00 C ATOM 425 CG GLU A 29 3.294 -0.195 5.455 1.00 0.00 C ATOM 426 CD GLU A 29 2.515 -1.481 5.651 1.00 0.00 C ATOM 427 OE1 GLU A 29 1.525 -1.486 6.427 1.00 0.00 O ATOM 428 OE2 GLU A 29 2.915 -2.520 5.098 1.00 0.00 O ATOM 0 H GLU A 29 3.768 2.585 5.784 1.00 0.00 H new ATOM 0 HA GLU A 29 5.813 1.181 7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.968 -0.906 6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.801 -0.017 7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.611 0.655 5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.789 -0.207 4.484 1.00 0.00 H new ATOM 435 N LYS A 30 6.140 2.298 4.585 1.00 0.00 N ATOM 436 CA LYS A 30 7.012 2.591 3.465 1.00 0.00 C ATOM 437 C LYS A 30 6.911 1.600 2.332 1.00 0.00 C ATOM 438 O LYS A 30 7.865 0.868 2.016 1.00 0.00 O ATOM 439 CB LYS A 30 8.458 2.851 3.889 1.00 0.00 C ATOM 440 CG LYS A 30 8.590 3.964 4.919 1.00 0.00 C ATOM 441 CD LYS A 30 10.038 4.341 5.171 1.00 0.00 C ATOM 442 CE LYS A 30 10.651 5.041 3.972 1.00 0.00 C ATOM 443 NZ LYS A 30 9.947 6.308 3.658 1.00 0.00 N ATOM 0 H LYS A 30 5.484 3.055 4.776 1.00 0.00 H new ATOM 0 HA LYS A 30 6.635 3.529 3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.880 1.933 4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.047 3.108 3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.042 4.842 4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.130 3.647 5.855 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.098 4.992 6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.613 3.444 5.402 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.703 5.248 4.170 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.614 4.380 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.558 6.908 3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.068 6.098 3.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.721 6.808 4.542 1.00 0.00 H new ATOM 457 N ALA A 31 5.745 1.546 1.756 1.00 0.00 N ATOM 458 CA ALA A 31 5.511 0.733 0.596 1.00 0.00 C ATOM 459 C ALA A 31 5.977 1.480 -0.647 1.00 0.00 C ATOM 460 O ALA A 31 6.458 2.617 -0.555 1.00 0.00 O ATOM 461 CB ALA A 31 4.040 0.389 0.486 1.00 0.00 C ATOM 0 H ALA A 31 4.928 2.065 2.077 1.00 0.00 H new ATOM 0 HA ALA A 31 6.074 -0.196 0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.876 -0.228 -0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.727 -0.159 1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.457 1.306 0.402 1.00 0.00 H new ATOM 467 N ARG A 32 5.836 0.868 -1.788 1.00 0.00 N ATOM 468 CA ARG A 32 6.234 1.493 -3.026 1.00 0.00 C ATOM 469 C ARG A 32 5.014 2.180 -3.638 1.00 0.00 C ATOM 470 O ARG A 32 5.125 3.216 -4.305 1.00 0.00 O ATOM 471 CB ARG A 32 6.798 0.434 -3.988 1.00 0.00 C ATOM 472 CG ARG A 32 7.377 0.986 -5.282 1.00 0.00 C ATOM 473 CD ARG A 32 8.634 1.806 -5.035 1.00 0.00 C ATOM 474 NE ARG A 32 9.152 2.400 -6.269 1.00 0.00 N ATOM 475 CZ ARG A 32 10.312 3.071 -6.379 1.00 0.00 C ATOM 476 NH1 ARG A 32 11.095 3.248 -5.308 1.00 0.00 N ATOM 477 NH2 ARG A 32 10.680 3.566 -7.558 1.00 0.00 N ATOM 0 H ARG A 32 5.446 -0.069 -1.891 1.00 0.00 H new ATOM 0 HA ARG A 32 7.013 2.233 -2.841 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.575 -0.129 -3.470 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.004 -0.271 -4.234 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.608 0.162 -5.957 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.631 1.606 -5.779 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.416 2.596 -4.316 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.399 1.171 -4.589 1.00 0.00 H new ATOM 0 HE ARG A 32 8.588 2.297 -7.112 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.813 2.873 -4.402 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.974 3.758 -5.397 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.083 3.436 -8.375 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.559 4.076 -7.645 1.00 0.00 H new ATOM 491 N HIS A 33 3.857 1.605 -3.366 1.00 0.00 N ATOM 492 CA HIS A 33 2.588 2.071 -3.868 1.00 0.00 C ATOM 493 C HIS A 33 1.492 1.564 -2.904 1.00 0.00 C ATOM 494 O HIS A 33 1.800 0.827 -1.971 1.00 0.00 O ATOM 495 CB HIS A 33 2.402 1.523 -5.320 1.00 0.00 C ATOM 496 CG HIS A 33 1.143 1.932 -6.028 1.00 0.00 C ATOM 497 ND1 HIS A 33 0.967 3.153 -6.617 1.00 0.00 N ATOM 498 CD2 HIS A 33 -0.016 1.247 -6.229 1.00 0.00 C ATOM 499 CE1 HIS A 33 -0.256 3.190 -7.143 1.00 0.00 C ATOM 500 NE2 HIS A 33 -0.901 2.052 -6.936 1.00 0.00 N ATOM 0 H HIS A 33 3.777 0.779 -2.773 1.00 0.00 H new ATOM 0 HA HIS A 33 2.532 3.159 -3.915 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.253 1.847 -5.920 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.435 0.434 -5.282 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.216 0.240 -5.893 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.668 4.038 -7.670 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.848 1.816 -7.233 1.00 0.00 H new ATOM 508 N GLY A 34 0.271 1.974 -3.106 1.00 0.00 N ATOM 509 CA GLY A 34 -0.850 1.530 -2.312 1.00 0.00 C ATOM 510 C GLY A 34 -2.105 1.906 -3.038 1.00 0.00 C ATOM 511 O GLY A 34 -2.076 2.880 -3.817 1.00 0.00 O ATOM 0 H GLY A 34 0.018 2.637 -3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.806 0.452 -2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.826 1.993 -1.326 1.00 0.00 H new ATOM 515 N SER A 35 -3.173 1.158 -2.866 1.00 0.00 N ATOM 516 CA SER A 35 -4.400 1.475 -3.573 1.00 0.00 C ATOM 517 C SER A 35 -5.590 0.712 -3.020 1.00 0.00 C ATOM 518 O SER A 35 -5.440 -0.391 -2.458 1.00 0.00 O ATOM 519 CB SER A 35 -4.238 1.136 -5.066 1.00 0.00 C ATOM 520 OG SER A 35 -5.388 1.497 -5.826 1.00 0.00 O ATOM 0 H SER A 35 -3.221 0.342 -2.256 1.00 0.00 H new ATOM 0 HA SER A 35 -4.589 2.540 -3.439 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.365 1.654 -5.462 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.052 0.068 -5.177 1.00 0.00 H new ATOM 0 HG SER A 35 -5.243 1.267 -6.767 1.00 0.00 H new ATOM 526 N CYS A 36 -6.769 1.316 -3.162 1.00 0.00 N ATOM 527 CA CYS A 36 -8.020 0.654 -2.885 1.00 0.00 C ATOM 528 C CYS A 36 -8.106 -0.476 -3.886 1.00 0.00 C ATOM 529 O CYS A 36 -8.074 -0.234 -5.096 1.00 0.00 O ATOM 530 CB CYS A 36 -9.205 1.609 -3.122 1.00 0.00 C ATOM 531 SG CYS A 36 -9.111 3.229 -2.273 1.00 0.00 S ATOM 0 H CYS A 36 -6.872 2.282 -3.474 1.00 0.00 H new ATOM 0 HA CYS A 36 -8.062 0.314 -1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.294 1.787 -4.194 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -10.119 1.107 -2.805 1.00 0.00 H new ATOM 536 N ASN A 37 -8.133 -1.684 -3.414 1.00 0.00 N ATOM 537 CA ASN A 37 -8.119 -2.817 -4.326 1.00 0.00 C ATOM 538 C ASN A 37 -9.360 -3.666 -4.182 1.00 0.00 C ATOM 539 O ASN A 37 -9.752 -4.380 -5.106 1.00 0.00 O ATOM 540 CB ASN A 37 -6.824 -3.637 -4.157 1.00 0.00 C ATOM 541 CG ASN A 37 -6.714 -4.825 -5.105 1.00 0.00 C ATOM 542 OD1 ASN A 37 -7.079 -5.951 -4.763 1.00 0.00 O ATOM 543 ND2 ASN A 37 -6.226 -4.589 -6.297 1.00 0.00 N ATOM 0 H ASN A 37 -8.164 -1.923 -2.423 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.130 -2.431 -5.345 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.968 -2.981 -4.313 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.766 -3.998 -3.130 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.139 -5.349 -6.972 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.932 -3.646 -6.550 1.00 0.00 H new ATOM 550 N TYR A 38 -10.009 -3.571 -3.042 1.00 0.00 N ATOM 551 CA TYR A 38 -11.217 -4.329 -2.849 1.00 0.00 C ATOM 552 C TYR A 38 -12.409 -3.458 -3.258 1.00 0.00 C ATOM 553 O TYR A 38 -12.234 -2.288 -3.625 1.00 0.00 O ATOM 554 CB TYR A 38 -11.337 -4.869 -1.399 1.00 0.00 C ATOM 555 CG TYR A 38 -12.410 -5.951 -1.215 1.00 0.00 C ATOM 556 CD1 TYR A 38 -12.273 -7.192 -1.807 1.00 0.00 C ATOM 557 CD2 TYR A 38 -13.547 -5.722 -0.456 1.00 0.00 C ATOM 558 CE1 TYR A 38 -13.231 -8.170 -1.653 1.00 0.00 C ATOM 559 CE2 TYR A 38 -14.510 -6.693 -0.296 1.00 0.00 C ATOM 560 CZ TYR A 38 -14.345 -7.916 -0.899 1.00 0.00 C ATOM 561 OH TYR A 38 -15.296 -8.889 -0.746 1.00 0.00 O ATOM 0 H TYR A 38 -9.726 -2.989 -2.253 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.198 -5.216 -3.482 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.372 -5.275 -1.094 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -11.559 -4.037 -0.731 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -11.397 -7.400 -2.403 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -13.680 -4.762 0.020 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -13.104 -9.133 -2.125 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -15.389 -6.494 0.299 1.00 0.00 H new ATOM 0 HH TYR A 38 -16.022 -8.551 -0.182 1.00 0.00 H new ATOM 571 N VAL A 39 -13.577 -4.002 -3.163 1.00 0.00 N ATOM 572 CA VAL A 39 -14.784 -3.399 -3.642 1.00 0.00 C ATOM 573 C VAL A 39 -15.785 -3.311 -2.502 1.00 0.00 C ATOM 574 O VAL A 39 -15.405 -3.404 -1.340 1.00 0.00 O ATOM 575 CB VAL A 39 -15.374 -4.249 -4.807 1.00 0.00 C ATOM 576 CG1 VAL A 39 -14.465 -4.188 -6.022 1.00 0.00 C ATOM 577 CG2 VAL A 39 -15.559 -5.707 -4.379 1.00 0.00 C ATOM 0 H VAL A 39 -13.726 -4.915 -2.733 1.00 0.00 H new ATOM 0 HA VAL A 39 -14.570 -2.397 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 39 -16.347 -3.832 -5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -14.892 -4.787 -6.826 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -14.368 -3.154 -6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.482 -4.579 -5.761 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -15.972 -6.280 -5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -14.595 -6.127 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -16.242 -5.753 -3.531 1.00 0.00 H new ATOM 587 N PHE A 40 -17.039 -3.120 -2.836 1.00 0.00 N ATOM 588 CA PHE A 40 -18.110 -3.076 -1.864 1.00 0.00 C ATOM 589 C PHE A 40 -18.145 -4.432 -1.110 1.00 0.00 C ATOM 590 O PHE A 40 -17.878 -5.480 -1.710 1.00 0.00 O ATOM 591 CB PHE A 40 -19.443 -2.799 -2.605 1.00 0.00 C ATOM 592 CG PHE A 40 -20.630 -2.555 -1.715 1.00 0.00 C ATOM 593 CD1 PHE A 40 -20.834 -1.310 -1.145 1.00 0.00 C ATOM 594 CD2 PHE A 40 -21.533 -3.567 -1.440 1.00 0.00 C ATOM 595 CE1 PHE A 40 -21.913 -1.077 -0.321 1.00 0.00 C ATOM 596 CE2 PHE A 40 -22.615 -3.342 -0.613 1.00 0.00 C ATOM 597 CZ PHE A 40 -22.804 -2.095 -0.053 1.00 0.00 C ATOM 0 H PHE A 40 -17.350 -2.989 -3.799 1.00 0.00 H new ATOM 0 HA PHE A 40 -17.954 -2.280 -1.136 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -19.308 -1.931 -3.250 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -19.663 -3.647 -3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -20.137 -0.510 -1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -21.389 -4.544 -1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -22.061 -0.100 0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -23.312 -4.140 -0.405 1.00 0.00 H new ATOM 0 HZ PHE A 40 -23.649 -1.916 0.595 1.00 0.00 H new ATOM 607 N PRO A 41 -18.466 -4.441 0.197 1.00 0.00 N ATOM 608 CA PRO A 41 -18.869 -3.259 0.953 1.00 0.00 C ATOM 609 C PRO A 41 -17.706 -2.462 1.543 1.00 0.00 C ATOM 610 O PRO A 41 -17.880 -1.294 1.917 1.00 0.00 O ATOM 611 CB PRO A 41 -19.732 -3.845 2.087 1.00 0.00 C ATOM 612 CG PRO A 41 -19.650 -5.343 1.947 1.00 0.00 C ATOM 613 CD PRO A 41 -18.486 -5.625 1.044 1.00 0.00 C ATOM 0 HA PRO A 41 -19.379 -2.544 0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -19.364 -3.524 3.062 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -20.764 -3.503 2.008 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -19.510 -5.816 2.919 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -20.572 -5.744 1.527 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -17.557 -5.744 1.601 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -18.630 -6.538 0.466 1.00 0.00 H new ATOM 621 N ALA A 42 -16.537 -3.051 1.592 1.00 0.00 N ATOM 622 CA ALA A 42 -15.417 -2.416 2.242 1.00 0.00 C ATOM 623 C ALA A 42 -14.206 -2.333 1.339 1.00 0.00 C ATOM 624 O ALA A 42 -13.442 -3.286 1.219 1.00 0.00 O ATOM 625 CB ALA A 42 -15.074 -3.128 3.547 1.00 0.00 C ATOM 0 H ALA A 42 -16.336 -3.967 1.191 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.716 -1.393 2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.226 -2.632 4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.934 -3.095 4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.817 -4.166 3.338 1.00 0.00 H new ATOM 631 N HIS A 43 -14.072 -1.217 0.657 1.00 0.00 N ATOM 632 CA HIS A 43 -12.910 -0.951 -0.174 1.00 0.00 C ATOM 633 C HIS A 43 -11.677 -0.851 0.710 1.00 0.00 C ATOM 634 O HIS A 43 -11.491 0.136 1.432 1.00 0.00 O ATOM 635 CB HIS A 43 -13.075 0.356 -0.973 1.00 0.00 C ATOM 636 CG HIS A 43 -14.243 0.369 -1.916 1.00 0.00 C ATOM 637 ND1 HIS A 43 -15.486 0.869 -1.598 1.00 0.00 N ATOM 638 CD2 HIS A 43 -14.336 -0.065 -3.187 1.00 0.00 C ATOM 639 CE1 HIS A 43 -16.279 0.726 -2.659 1.00 0.00 C ATOM 640 NE2 HIS A 43 -15.629 0.162 -3.660 1.00 0.00 N ATOM 0 H HIS A 43 -14.763 -0.466 0.660 1.00 0.00 H new ATOM 0 HA HIS A 43 -12.803 -1.770 -0.885 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -13.182 1.184 -0.272 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -12.163 0.536 -1.542 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -13.535 -0.518 -3.752 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -17.315 1.031 -2.695 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -15.995 -0.061 -4.585 1.00 0.00 H new ATOM 648 N LYS A 44 -10.878 -1.879 0.690 1.00 0.00 N ATOM 649 CA LYS A 44 -9.674 -1.933 1.488 1.00 0.00 C ATOM 650 C LYS A 44 -8.513 -1.425 0.668 1.00 0.00 C ATOM 651 O LYS A 44 -8.510 -1.581 -0.572 1.00 0.00 O ATOM 652 CB LYS A 44 -9.365 -3.374 1.901 1.00 0.00 C ATOM 653 CG LYS A 44 -10.520 -4.125 2.575 1.00 0.00 C ATOM 654 CD LYS A 44 -10.156 -5.581 2.914 1.00 0.00 C ATOM 655 CE LYS A 44 -9.858 -6.409 1.664 1.00 0.00 C ATOM 656 NZ LYS A 44 -9.548 -7.820 1.982 1.00 0.00 N ATOM 0 H LYS A 44 -11.039 -2.709 0.120 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.823 -1.321 2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.059 -3.931 1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.513 -3.365 2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.805 -3.603 3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.389 -4.115 1.917 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.286 -5.593 3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.977 -6.040 3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.716 -6.371 0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.017 -5.966 1.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.353 -8.339 1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.713 -7.861 2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.360 -8.253 2.467 1.00 0.00 H new ATOM 670 N CYS A 45 -7.544 -0.828 1.316 1.00 0.00 N ATOM 671 CA CYS A 45 -6.357 -0.404 0.630 1.00 0.00 C ATOM 672 C CYS A 45 -5.311 -1.436 0.857 1.00 0.00 C ATOM 673 O CYS A 45 -5.110 -1.883 1.987 1.00 0.00 O ATOM 674 CB CYS A 45 -5.839 0.948 1.106 1.00 0.00 C ATOM 675 SG CYS A 45 -4.389 1.525 0.154 1.00 0.00 S ATOM 0 H CYS A 45 -7.557 -0.627 2.316 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.599 -0.289 -0.427 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.637 1.686 1.027 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.572 0.879 2.160 1.00 0.00 H new ATOM 680 N ILE A 46 -4.683 -1.851 -0.184 1.00 0.00 N ATOM 681 CA ILE A 46 -3.661 -2.831 -0.084 1.00 0.00 C ATOM 682 C ILE A 46 -2.366 -2.127 -0.455 1.00 0.00 C ATOM 683 O ILE A 46 -2.359 -1.304 -1.398 1.00 0.00 O ATOM 684 CB ILE A 46 -3.925 -4.034 -1.045 1.00 0.00 C ATOM 685 CG1 ILE A 46 -5.397 -4.498 -0.986 1.00 0.00 C ATOM 686 CG2 ILE A 46 -3.045 -5.197 -0.653 1.00 0.00 C ATOM 687 CD1 ILE A 46 -5.845 -5.059 0.354 1.00 0.00 C ATOM 0 H ILE A 46 -4.863 -1.520 -1.132 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.621 -3.246 0.923 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.702 -3.700 -2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.038 -3.654 -1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.552 -5.259 -1.751 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.230 -6.036 -1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.998 -4.901 -0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.271 -5.495 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.892 -5.356 0.292 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.236 -5.927 0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.729 -4.297 1.125 1.00 0.00 H new ATOM 699 N CYS A 47 -1.308 -2.384 0.278 1.00 0.00 N ATOM 700 CA CYS A 47 -0.059 -1.715 0.023 1.00 0.00 C ATOM 701 C CYS A 47 0.728 -2.520 -0.976 1.00 0.00 C ATOM 702 O CYS A 47 0.704 -3.745 -0.954 1.00 0.00 O ATOM 703 CB CYS A 47 0.759 -1.499 1.315 1.00 0.00 C ATOM 704 SG CYS A 47 -0.005 -0.415 2.596 1.00 0.00 S ATOM 0 H CYS A 47 -1.289 -3.049 1.052 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.272 -0.725 -0.380 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.953 -2.473 1.763 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.725 -1.076 1.041 1.00 0.00 H new ATOM 709 N TYR A 48 1.387 -1.850 -1.862 1.00 0.00 N ATOM 710 CA TYR A 48 2.143 -2.493 -2.890 1.00 0.00 C ATOM 711 C TYR A 48 3.612 -2.283 -2.674 1.00 0.00 C ATOM 712 O TYR A 48 4.080 -1.150 -2.506 1.00 0.00 O ATOM 713 CB TYR A 48 1.710 -2.007 -4.272 1.00 0.00 C ATOM 714 CG TYR A 48 0.367 -2.541 -4.709 1.00 0.00 C ATOM 715 CD1 TYR A 48 -0.819 -1.974 -4.260 1.00 0.00 C ATOM 716 CD2 TYR A 48 0.290 -3.633 -5.556 1.00 0.00 C ATOM 717 CE1 TYR A 48 -2.038 -2.484 -4.646 1.00 0.00 C ATOM 718 CE2 TYR A 48 -0.922 -4.148 -5.943 1.00 0.00 C ATOM 719 CZ TYR A 48 -2.080 -3.573 -5.485 1.00 0.00 C ATOM 720 OH TYR A 48 -3.279 -4.094 -5.860 1.00 0.00 O ATOM 0 H TYR A 48 1.418 -0.831 -1.895 1.00 0.00 H new ATOM 0 HA TYR A 48 1.946 -3.564 -2.841 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.675 -0.918 -4.270 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.463 -2.300 -5.003 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.784 -1.121 -3.599 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.200 -4.088 -5.919 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.954 -2.033 -4.293 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.964 -5.001 -6.604 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.132 -4.859 -6.454 1.00 0.00 H new ATOM 730 N PHE A 49 4.324 -3.354 -2.647 1.00 0.00 N ATOM 731 CA PHE A 49 5.733 -3.347 -2.430 1.00 0.00 C ATOM 732 C PHE A 49 6.433 -3.825 -3.689 1.00 0.00 C ATOM 733 O PHE A 49 5.790 -4.408 -4.561 1.00 0.00 O ATOM 734 CB PHE A 49 6.080 -4.233 -1.217 1.00 0.00 C ATOM 735 CG PHE A 49 5.629 -3.657 0.095 1.00 0.00 C ATOM 736 CD1 PHE A 49 4.333 -3.836 0.546 1.00 0.00 C ATOM 737 CD2 PHE A 49 6.507 -2.923 0.873 1.00 0.00 C ATOM 738 CE1 PHE A 49 3.923 -3.296 1.744 1.00 0.00 C ATOM 739 CE2 PHE A 49 6.100 -2.381 2.073 1.00 0.00 C ATOM 740 CZ PHE A 49 4.806 -2.569 2.508 1.00 0.00 C ATOM 0 H PHE A 49 3.934 -4.287 -2.779 1.00 0.00 H new ATOM 0 HA PHE A 49 6.074 -2.336 -2.210 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.623 -5.213 -1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.159 -4.386 -1.186 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.635 -4.406 -0.049 1.00 0.00 H new ATOM 0 HD2 PHE A 49 7.522 -2.773 0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.908 -3.443 2.084 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.794 -1.810 2.672 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.485 -2.146 3.448 1.00 0.00 H new ATOM 750 N PRO A 50 7.726 -3.547 -3.840 1.00 0.00 N ATOM 751 CA PRO A 50 8.472 -3.994 -4.983 1.00 0.00 C ATOM 752 C PRO A 50 9.026 -5.407 -4.780 1.00 0.00 C ATOM 753 O PRO A 50 9.844 -5.659 -3.885 1.00 0.00 O ATOM 754 CB PRO A 50 9.601 -2.971 -5.096 1.00 0.00 C ATOM 755 CG PRO A 50 9.802 -2.442 -3.707 1.00 0.00 C ATOM 756 CD PRO A 50 8.562 -2.771 -2.911 1.00 0.00 C ATOM 0 HA PRO A 50 7.860 -4.055 -5.883 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.512 -3.433 -5.476 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.337 -2.170 -5.787 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.682 -2.893 -3.249 1.00 0.00 H new ATOM 0 HG3 PRO A 50 9.970 -1.365 -3.728 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.804 -3.348 -2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 50 8.052 -1.867 -2.578 1.00 0.00 H new ATOM 764 N CYS A 51 8.522 -6.315 -5.536 1.00 0.00 N ATOM 765 CA CYS A 51 8.989 -7.668 -5.532 1.00 0.00 C ATOM 766 C CYS A 51 9.906 -7.906 -6.720 1.00 0.00 C ATOM 767 O CYS A 51 9.420 -8.066 -7.851 1.00 0.00 O ATOM 768 CB CYS A 51 7.820 -8.664 -5.495 1.00 0.00 C ATOM 769 SG CYS A 51 7.029 -8.845 -3.846 1.00 0.00 S ATOM 770 OXT CYS A 51 11.148 -7.904 -6.537 1.00 0.00 O ATOM 0 H CYS A 51 7.758 -6.142 -6.190 1.00 0.00 H new ATOM 0 HA CYS A 51 9.567 -7.836 -4.623 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.065 -8.346 -6.214 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.180 -9.640 -5.821 1.00 0.00 H new TER 775 CYS A 51