USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 373 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 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 130:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.131 K(o=-0.13,f=-2!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.906 USER MOD Single : A 36 GLN : amide:sc= -0.439 X(o=-0.44,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.891 USER MOD Single : A 46 GLN : amide:sc= -0.868 K(o=-0.87,f=-2.5!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 1.56 K(o=1.6,f=-6.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0209 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 61 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.264 K(o=-0.26,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 19 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 19 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 19 1.558 -1.053 -2.209 1.00 22.04 C ATOM 4 O MET A 19 1.232 -2.169 -1.807 1.00 73.23 O ATOM 5 CB MET A 19 3.573 -0.260 -0.956 1.00 1.23 C ATOM 6 CG MET A 19 4.444 -0.251 -2.202 1.00 31.44 C ATOM 7 SD MET A 19 4.659 1.402 -2.887 1.00 44.33 S ATOM 8 CE MET A 19 5.355 1.015 -4.492 1.00 11.51 C ATOM 0 HA MET A 19 1.987 0.980 -1.705 1.00 52.33 H new ATOM 0 HB2 MET A 19 3.938 0.497 -0.262 1.00 1.23 H new ATOM 0 HB3 MET A 19 3.675 -1.224 -0.458 1.00 1.23 H new ATOM 0 HG2 MET A 19 5.421 -0.670 -1.961 1.00 31.44 H new ATOM 0 HG3 MET A 19 3.998 -0.898 -2.957 1.00 31.44 H new ATOM 0 HE1 MET A 19 5.544 1.939 -5.039 1.00 11.51 H new ATOM 0 HE2 MET A 19 6.291 0.472 -4.361 1.00 11.51 H new ATOM 0 HE3 MET A 19 4.653 0.398 -5.054 1.00 11.51 H new ATOM 18 N GLY A 20 1.471 -0.689 -3.485 1.00 2.05 N ATOM 19 CA GLY A 20 0.975 -1.613 -4.487 1.00 61.24 C ATOM 20 C GLY A 20 -0.366 -1.190 -5.053 1.00 34.25 C ATOM 21 O GLY A 20 -0.665 0.001 -5.138 1.00 44.44 O ATOM 0 H GLY A 20 1.735 0.229 -3.842 1.00 2.05 H new ATOM 0 HA2 GLY A 20 1.700 -1.689 -5.297 1.00 61.24 H new ATOM 0 HA3 GLY A 20 0.883 -2.606 -4.047 1.00 61.24 H new ATOM 25 N CYS A 21 -1.178 -2.168 -5.441 1.00 22.21 N ATOM 26 CA CYS A 21 -2.494 -1.892 -6.003 1.00 73.22 C ATOM 27 C CYS A 21 -3.544 -2.830 -5.415 1.00 75.32 C ATOM 28 O CYS A 21 -3.213 -3.831 -4.778 1.00 52.11 O ATOM 29 CB CYS A 21 -2.462 -2.036 -7.526 1.00 42.21 C ATOM 30 SG CYS A 21 -1.844 -0.561 -8.399 1.00 11.11 S ATOM 0 H CYS A 21 -0.947 -3.159 -5.376 1.00 22.21 H new ATOM 0 HA CYS A 21 -2.763 -0.867 -5.747 1.00 73.22 H new ATOM 0 HB2 CYS A 21 -1.835 -2.889 -7.787 1.00 42.21 H new ATOM 0 HB3 CYS A 21 -3.468 -2.260 -7.880 1.00 42.21 H new ATOM 35 N THR A 22 -4.814 -2.500 -5.634 1.00 23.25 N ATOM 36 CA THR A 22 -5.913 -3.311 -5.125 1.00 63.34 C ATOM 37 C THR A 22 -6.838 -3.752 -6.254 1.00 30.34 C ATOM 38 O THR A 22 -7.103 -2.992 -7.185 1.00 73.01 O ATOM 39 CB THR A 22 -6.735 -2.546 -4.072 1.00 13.04 C ATOM 40 OG1 THR A 22 -7.212 -1.314 -4.623 1.00 13.50 O ATOM 41 CG2 THR A 22 -5.899 -2.263 -2.833 1.00 23.10 C ATOM 0 H THR A 22 -5.106 -1.677 -6.160 1.00 23.25 H new ATOM 0 HA THR A 22 -5.468 -4.190 -4.658 1.00 63.34 H new ATOM 0 HB THR A 22 -7.583 -3.167 -3.784 1.00 13.04 H new ATOM 0 HG1 THR A 22 -7.735 -0.834 -3.947 1.00 13.50 H new ATOM 0 HG21 THR A 22 -6.501 -1.722 -2.103 1.00 23.10 H new ATOM 0 HG22 THR A 22 -5.562 -3.204 -2.399 1.00 23.10 H new ATOM 0 HG23 THR A 22 -5.034 -1.660 -3.108 1.00 23.10 H new ATOM 49 N TYR A 23 -7.327 -4.984 -6.164 1.00 31.01 N ATOM 50 CA TYR A 23 -8.222 -5.527 -7.179 1.00 11.21 C ATOM 51 C TYR A 23 -9.650 -5.623 -6.651 1.00 12.12 C ATOM 52 O TYR A 23 -9.872 -5.843 -5.459 1.00 63.25 O ATOM 53 CB TYR A 23 -7.739 -6.906 -7.630 1.00 33.55 C ATOM 54 CG TYR A 23 -8.712 -7.620 -8.541 1.00 22.51 C ATOM 55 CD1 TYR A 23 -8.723 -7.372 -9.908 1.00 72.20 C ATOM 56 CD2 TYR A 23 -9.620 -8.542 -8.035 1.00 62.41 C ATOM 57 CE1 TYR A 23 -9.610 -8.022 -10.745 1.00 14.44 C ATOM 58 CE2 TYR A 23 -10.509 -9.198 -8.864 1.00 55.53 C ATOM 59 CZ TYR A 23 -10.501 -8.934 -10.218 1.00 51.41 C ATOM 60 OH TYR A 23 -11.387 -9.583 -11.047 1.00 63.12 O ATOM 0 H TYR A 23 -7.119 -5.625 -5.399 1.00 31.01 H new ATOM 0 HA TYR A 23 -8.215 -4.850 -8.033 1.00 11.21 H new ATOM 0 HB2 TYR A 23 -6.785 -6.797 -8.145 1.00 33.55 H new ATOM 0 HB3 TYR A 23 -7.557 -7.524 -6.750 1.00 33.55 H new ATOM 0 HD1 TYR A 23 -8.026 -6.659 -10.324 1.00 72.20 H new ATOM 0 HD2 TYR A 23 -9.631 -8.749 -6.975 1.00 62.41 H new ATOM 0 HE1 TYR A 23 -9.606 -7.817 -11.805 1.00 14.44 H new ATOM 0 HE2 TYR A 23 -11.207 -9.914 -8.454 1.00 55.53 H new ATOM 0 HH TYR A 23 -11.348 -10.547 -10.877 1.00 63.12 H new ATOM 70 N THR A 24 -10.618 -5.456 -7.547 1.00 31.41 N ATOM 71 CA THR A 24 -12.025 -5.523 -7.173 1.00 73.44 C ATOM 72 C THR A 24 -12.639 -6.859 -7.578 1.00 64.02 C ATOM 73 O THR A 24 -12.897 -7.102 -8.757 1.00 54.33 O ATOM 74 CB THR A 24 -12.833 -4.383 -7.821 1.00 33.11 C ATOM 75 OG1 THR A 24 -12.144 -3.139 -7.656 1.00 22.01 O ATOM 76 CG2 THR A 24 -14.221 -4.285 -7.205 1.00 23.33 C ATOM 0 H THR A 24 -10.453 -5.273 -8.537 1.00 31.41 H new ATOM 0 HA THR A 24 -12.069 -5.420 -6.089 1.00 73.44 H new ATOM 0 HB THR A 24 -12.939 -4.601 -8.884 1.00 33.11 H new ATOM 0 HG1 THR A 24 -12.663 -2.420 -8.072 1.00 22.01 H new ATOM 0 HG21 THR A 24 -14.773 -3.473 -7.679 1.00 23.33 H new ATOM 0 HG22 THR A 24 -14.754 -5.223 -7.358 1.00 23.33 H new ATOM 0 HG23 THR A 24 -14.132 -4.088 -6.137 1.00 23.33 H new ATOM 84 N ILE A 25 -12.869 -7.721 -6.594 1.00 32.30 N ATOM 85 CA ILE A 25 -13.454 -9.032 -6.849 1.00 12.13 C ATOM 86 C ILE A 25 -14.966 -8.934 -7.025 1.00 63.33 C ATOM 87 O ILE A 25 -15.702 -8.743 -6.058 1.00 3.41 O ATOM 88 CB ILE A 25 -13.145 -10.018 -5.707 1.00 64.11 C ATOM 89 CG1 ILE A 25 -11.653 -9.989 -5.369 1.00 3.30 C ATOM 90 CG2 ILE A 25 -13.579 -11.425 -6.090 1.00 41.02 C ATOM 91 CD1 ILE A 25 -11.271 -10.918 -4.238 1.00 60.01 C ATOM 0 H ILE A 25 -12.659 -7.536 -5.613 1.00 32.30 H new ATOM 0 HA ILE A 25 -13.006 -9.404 -7.771 1.00 12.13 H new ATOM 0 HB ILE A 25 -13.705 -9.714 -4.823 1.00 64.11 H new ATOM 0 HG12 ILE A 25 -11.082 -10.258 -6.258 1.00 3.30 H new ATOM 0 HG13 ILE A 25 -11.369 -8.971 -5.104 1.00 3.30 H new ATOM 0 HG21 ILE A 25 -13.354 -12.110 -5.273 1.00 41.02 H new ATOM 0 HG22 ILE A 25 -14.651 -11.434 -6.287 1.00 41.02 H new ATOM 0 HG23 ILE A 25 -13.043 -11.740 -6.985 1.00 41.02 H new ATOM 0 HD11 ILE A 25 -10.199 -10.845 -4.053 1.00 60.01 H new ATOM 0 HD12 ILE A 25 -11.815 -10.636 -3.336 1.00 60.01 H new ATOM 0 HD13 ILE A 25 -11.524 -11.943 -4.508 1.00 60.01 H new ATOM 103 N GLN A 26 -15.421 -9.069 -8.267 1.00 21.43 N ATOM 104 CA GLN A 26 -16.845 -8.998 -8.570 1.00 14.55 C ATOM 105 C GLN A 26 -17.413 -10.385 -8.849 1.00 72.12 C ATOM 106 O GLN A 26 -16.683 -11.338 -9.120 1.00 63.42 O ATOM 107 CB GLN A 26 -17.087 -8.083 -9.771 1.00 53.25 C ATOM 108 CG GLN A 26 -17.300 -6.626 -9.394 1.00 13.30 C ATOM 109 CD GLN A 26 -18.169 -5.885 -10.392 1.00 31.44 C ATOM 110 OE1 GLN A 26 -18.626 -6.459 -11.381 1.00 23.43 O ATOM 111 NE2 GLN A 26 -18.403 -4.603 -10.137 1.00 24.32 N ATOM 0 H GLN A 26 -14.824 -9.228 -9.079 1.00 21.43 H new ATOM 0 HA GLN A 26 -17.356 -8.586 -7.700 1.00 14.55 H new ATOM 0 HB2 GLN A 26 -16.236 -8.154 -10.448 1.00 53.25 H new ATOM 0 HB3 GLN A 26 -17.960 -8.439 -10.318 1.00 53.25 H new ATOM 0 HG2 GLN A 26 -17.761 -6.574 -8.408 1.00 13.30 H new ATOM 0 HG3 GLN A 26 -16.333 -6.129 -9.321 1.00 13.30 H new ATOM 0 HE21 GLN A 26 -18.004 -4.167 -9.305 1.00 24.32 H new ATOM 0 HE22 GLN A 26 -18.982 -4.054 -10.773 1.00 24.32 H new ATOM 120 N PRO A 27 -18.748 -10.504 -8.782 1.00 45.41 N ATOM 121 CA PRO A 27 -19.443 -11.771 -9.025 1.00 40.11 C ATOM 122 C PRO A 27 -18.964 -12.460 -10.298 1.00 71.03 C ATOM 123 O PRO A 27 -19.095 -11.919 -11.395 1.00 41.04 O ATOM 124 CB PRO A 27 -20.908 -11.351 -9.163 1.00 54.44 C ATOM 125 CG PRO A 27 -21.014 -10.083 -8.388 1.00 45.21 C ATOM 126 CD PRO A 27 -19.680 -9.409 -8.464 1.00 72.23 C ATOM 0 HA PRO A 27 -19.266 -12.493 -8.228 1.00 40.11 H new ATOM 0 HB2 PRO A 27 -21.180 -11.200 -10.208 1.00 54.44 H new ATOM 0 HB3 PRO A 27 -21.578 -12.114 -8.767 1.00 54.44 H new ATOM 0 HG2 PRO A 27 -21.793 -9.443 -8.801 1.00 45.21 H new ATOM 0 HG3 PRO A 27 -21.285 -10.286 -7.352 1.00 45.21 H new ATOM 0 HD2 PRO A 27 -19.666 -8.636 -9.233 1.00 72.23 H new ATOM 0 HD3 PRO A 27 -19.422 -8.926 -7.522 1.00 72.23 H new ATOM 134 N GLY A 28 -18.409 -13.658 -10.144 1.00 62.44 N ATOM 135 CA GLY A 28 -17.919 -14.402 -11.291 1.00 12.25 C ATOM 136 C GLY A 28 -16.408 -14.520 -11.302 1.00 71.24 C ATOM 137 O GLY A 28 -15.852 -15.392 -11.970 1.00 72.41 O ATOM 0 H GLY A 28 -18.290 -14.127 -9.246 1.00 62.44 H new ATOM 0 HA2 GLY A 28 -18.358 -15.400 -11.288 1.00 12.25 H new ATOM 0 HA3 GLY A 28 -18.249 -13.911 -12.207 1.00 12.25 H new ATOM 141 N ASP A 29 -15.742 -13.640 -10.563 1.00 64.15 N ATOM 142 CA ASP A 29 -14.285 -13.649 -10.492 1.00 31.02 C ATOM 143 C ASP A 29 -13.800 -14.621 -9.421 1.00 3.33 C ATOM 144 O ASP A 29 -14.364 -14.690 -8.328 1.00 65.30 O ATOM 145 CB ASP A 29 -13.759 -12.243 -10.199 1.00 21.11 C ATOM 146 CG ASP A 29 -14.253 -11.219 -11.202 1.00 62.41 C ATOM 147 OD1 ASP A 29 -14.211 -11.510 -12.416 1.00 45.32 O ATOM 148 OD2 ASP A 29 -14.682 -10.128 -10.773 1.00 73.32 O ATOM 0 H ASP A 29 -16.187 -12.912 -10.005 1.00 64.15 H new ATOM 0 HA ASP A 29 -13.900 -13.978 -11.457 1.00 31.02 H new ATOM 0 HB2 ASP A 29 -14.068 -11.944 -9.197 1.00 21.11 H new ATOM 0 HB3 ASP A 29 -12.669 -12.257 -10.206 1.00 21.11 H new ATOM 153 N THR A 30 -12.750 -15.371 -9.741 1.00 72.34 N ATOM 154 CA THR A 30 -12.190 -16.341 -8.808 1.00 52.33 C ATOM 155 C THR A 30 -10.691 -16.128 -8.628 1.00 74.24 C ATOM 156 O THR A 30 -10.042 -15.484 -9.453 1.00 32.23 O ATOM 157 CB THR A 30 -12.439 -17.785 -9.282 1.00 32.11 C ATOM 158 OG1 THR A 30 -11.883 -17.975 -10.588 1.00 21.34 O ATOM 159 CG2 THR A 30 -13.928 -18.097 -9.309 1.00 41.42 C ATOM 0 H THR A 30 -12.270 -15.325 -10.640 1.00 72.34 H new ATOM 0 HA THR A 30 -12.693 -16.189 -7.853 1.00 52.33 H new ATOM 0 HB THR A 30 -11.955 -18.463 -8.579 1.00 32.11 H new ATOM 0 HG1 THR A 30 -12.044 -18.896 -10.881 1.00 21.34 H new ATOM 0 HG21 THR A 30 -14.079 -19.122 -9.647 1.00 41.42 H new ATOM 0 HG22 THR A 30 -14.342 -17.980 -8.308 1.00 41.42 H new ATOM 0 HG23 THR A 30 -14.431 -17.412 -9.992 1.00 41.42 H new ATOM 167 N PHE A 31 -10.147 -16.674 -7.546 1.00 1.11 N ATOM 168 CA PHE A 31 -8.723 -16.544 -7.258 1.00 14.42 C ATOM 169 C PHE A 31 -7.884 -16.968 -8.459 1.00 72.33 C ATOM 170 O PHE A 31 -7.159 -16.161 -9.040 1.00 2.43 O ATOM 171 CB PHE A 31 -8.349 -17.386 -6.037 1.00 33.33 C ATOM 172 CG PHE A 31 -8.591 -16.687 -4.729 1.00 64.43 C ATOM 173 CD1 PHE A 31 -8.049 -15.435 -4.488 1.00 32.23 C ATOM 174 CD2 PHE A 31 -9.358 -17.283 -3.742 1.00 34.14 C ATOM 175 CE1 PHE A 31 -8.270 -14.789 -3.286 1.00 25.02 C ATOM 176 CE2 PHE A 31 -9.583 -16.642 -2.538 1.00 44.31 C ATOM 177 CZ PHE A 31 -9.036 -15.394 -2.309 1.00 55.34 C ATOM 0 H PHE A 31 -10.670 -17.211 -6.854 1.00 1.11 H new ATOM 0 HA PHE A 31 -8.515 -15.495 -7.045 1.00 14.42 H new ATOM 0 HB2 PHE A 31 -8.922 -18.313 -6.056 1.00 33.33 H new ATOM 0 HB3 PHE A 31 -7.296 -17.661 -6.104 1.00 33.33 H new ATOM 0 HD1 PHE A 31 -7.447 -14.958 -5.248 1.00 32.23 H new ATOM 0 HD2 PHE A 31 -9.785 -18.260 -3.915 1.00 34.14 H new ATOM 0 HE1 PHE A 31 -7.844 -13.812 -3.111 1.00 25.02 H new ATOM 0 HE2 PHE A 31 -10.186 -17.116 -1.777 1.00 44.31 H new ATOM 0 HZ PHE A 31 -9.207 -14.893 -1.368 1.00 55.34 H new ATOM 187 N TRP A 32 -7.988 -18.241 -8.826 1.00 14.53 N ATOM 188 CA TRP A 32 -7.239 -18.774 -9.958 1.00 1.43 C ATOM 189 C TRP A 32 -7.450 -17.918 -11.202 1.00 32.11 C ATOM 190 O TRP A 32 -6.498 -17.586 -11.907 1.00 21.00 O ATOM 191 CB TRP A 32 -7.658 -20.217 -10.239 1.00 73.30 C ATOM 192 CG TRP A 32 -7.058 -20.777 -11.493 1.00 41.43 C ATOM 193 CD1 TRP A 32 -5.729 -20.881 -11.790 1.00 21.53 C ATOM 194 CD2 TRP A 32 -7.765 -21.306 -12.620 1.00 52.40 C ATOM 195 NE1 TRP A 32 -5.567 -21.444 -13.033 1.00 54.20 N ATOM 196 CE2 TRP A 32 -6.801 -21.714 -13.563 1.00 14.13 C ATOM 197 CE3 TRP A 32 -9.119 -21.476 -12.924 1.00 24.24 C ATOM 198 CZ2 TRP A 32 -7.150 -22.280 -14.786 1.00 53.21 C ATOM 199 CZ3 TRP A 32 -9.463 -22.038 -14.138 1.00 51.33 C ATOM 200 CH2 TRP A 32 -8.483 -22.435 -15.057 1.00 44.21 C ATOM 0 H TRP A 32 -8.584 -18.923 -8.356 1.00 14.53 H new ATOM 0 HA TRP A 32 -6.180 -18.754 -9.702 1.00 1.43 H new ATOM 0 HB2 TRP A 32 -7.368 -20.843 -9.395 1.00 73.30 H new ATOM 0 HB3 TRP A 32 -8.745 -20.264 -10.312 1.00 73.30 H new ATOM 0 HD1 TRP A 32 -4.923 -20.567 -11.143 1.00 21.53 H new ATOM 0 HE1 TRP A 32 -4.673 -21.631 -13.487 1.00 54.20 H new ATOM 0 HE3 TRP A 32 -9.882 -21.173 -12.222 1.00 24.24 H new ATOM 0 HZ2 TRP A 32 -6.396 -22.586 -15.496 1.00 53.21 H new ATOM 0 HZ3 TRP A 32 -10.506 -22.174 -14.383 1.00 51.33 H new ATOM 0 HH2 TRP A 32 -8.785 -22.872 -15.997 1.00 44.21 H new ATOM 211 N ALA A 33 -8.704 -17.564 -11.466 1.00 22.34 N ATOM 212 CA ALA A 33 -9.039 -16.745 -12.624 1.00 21.31 C ATOM 213 C ALA A 33 -8.199 -15.473 -12.658 1.00 63.24 C ATOM 214 O ALA A 33 -7.625 -15.125 -13.691 1.00 15.20 O ATOM 215 CB ALA A 33 -10.521 -16.401 -12.616 1.00 61.21 C ATOM 0 H ALA A 33 -9.504 -17.832 -10.893 1.00 22.34 H new ATOM 0 HA ALA A 33 -8.816 -17.321 -13.522 1.00 21.31 H new ATOM 0 HB1 ALA A 33 -10.757 -15.789 -13.487 1.00 61.21 H new ATOM 0 HB2 ALA A 33 -11.108 -17.319 -12.648 1.00 61.21 H new ATOM 0 HB3 ALA A 33 -10.761 -15.848 -11.708 1.00 61.21 H new ATOM 221 N ILE A 34 -8.131 -14.784 -11.525 1.00 4.15 N ATOM 222 CA ILE A 34 -7.360 -13.551 -11.426 1.00 40.40 C ATOM 223 C ILE A 34 -5.867 -13.823 -11.571 1.00 5.42 C ATOM 224 O ILE A 34 -5.133 -13.022 -12.149 1.00 44.31 O ATOM 225 CB ILE A 34 -7.612 -12.835 -10.086 1.00 53.51 C ATOM 226 CG1 ILE A 34 -9.100 -12.517 -9.925 1.00 34.12 C ATOM 227 CG2 ILE A 34 -6.782 -11.563 -10.000 1.00 44.14 C ATOM 228 CD1 ILE A 34 -9.504 -12.222 -8.497 1.00 51.12 C ATOM 0 H ILE A 34 -8.601 -15.058 -10.662 1.00 4.15 H new ATOM 0 HA ILE A 34 -7.690 -12.906 -12.241 1.00 40.40 H new ATOM 0 HB ILE A 34 -7.311 -13.498 -9.275 1.00 53.51 H new ATOM 0 HG12 ILE A 34 -9.349 -11.659 -10.549 1.00 34.12 H new ATOM 0 HG13 ILE A 34 -9.685 -13.360 -10.293 1.00 34.12 H new ATOM 0 HG21 ILE A 34 -6.971 -11.069 -9.047 1.00 44.14 H new ATOM 0 HG22 ILE A 34 -5.724 -11.813 -10.075 1.00 44.14 H new ATOM 0 HG23 ILE A 34 -7.055 -10.894 -10.816 1.00 44.14 H new ATOM 0 HD11 ILE A 34 -10.572 -12.005 -8.458 1.00 51.12 H new ATOM 0 HD12 ILE A 34 -9.286 -13.087 -7.871 1.00 51.12 H new ATOM 0 HD13 ILE A 34 -8.945 -11.360 -8.131 1.00 51.12 H new ATOM 240 N ALA A 35 -5.424 -14.959 -11.043 1.00 23.01 N ATOM 241 CA ALA A 35 -4.018 -15.339 -11.117 1.00 34.14 C ATOM 242 C ALA A 35 -3.556 -15.454 -12.565 1.00 72.32 C ATOM 243 O ALA A 35 -2.557 -14.853 -12.956 1.00 45.43 O ATOM 244 CB ALA A 35 -3.787 -16.651 -10.381 1.00 11.42 C ATOM 0 H ALA A 35 -6.018 -15.632 -10.559 1.00 23.01 H new ATOM 0 HA ALA A 35 -3.430 -14.557 -10.637 1.00 34.14 H new ATOM 0 HB1 ALA A 35 -2.733 -16.923 -10.444 1.00 11.42 H new ATOM 0 HB2 ALA A 35 -4.070 -16.536 -9.335 1.00 11.42 H new ATOM 0 HB3 ALA A 35 -4.392 -17.435 -10.836 1.00 11.42 H new ATOM 250 N GLN A 36 -4.290 -16.231 -13.356 1.00 22.34 N ATOM 251 CA GLN A 36 -3.953 -16.426 -14.761 1.00 0.22 C ATOM 252 C GLN A 36 -4.109 -15.126 -15.543 1.00 4.21 C ATOM 253 O GLN A 36 -3.457 -14.925 -16.568 1.00 72.01 O ATOM 254 CB GLN A 36 -4.838 -17.513 -15.374 1.00 10.54 C ATOM 255 CG GLN A 36 -6.325 -17.213 -15.275 1.00 72.14 C ATOM 256 CD GLN A 36 -7.181 -18.298 -15.897 1.00 74.54 C ATOM 257 OE1 GLN A 36 -7.295 -18.391 -17.120 1.00 72.20 O ATOM 258 NE2 GLN A 36 -7.789 -19.128 -15.057 1.00 54.41 N ATOM 0 H GLN A 36 -5.121 -16.735 -13.048 1.00 22.34 H new ATOM 0 HA GLN A 36 -2.911 -16.741 -14.818 1.00 0.22 H new ATOM 0 HB2 GLN A 36 -4.570 -17.639 -16.423 1.00 10.54 H new ATOM 0 HB3 GLN A 36 -4.633 -18.461 -14.876 1.00 10.54 H new ATOM 0 HG2 GLN A 36 -6.599 -17.095 -14.227 1.00 72.14 H new ATOM 0 HG3 GLN A 36 -6.534 -16.263 -15.768 1.00 72.14 H new ATOM 0 HE21 GLN A 36 -7.667 -19.015 -14.051 1.00 54.41 H new ATOM 0 HE22 GLN A 36 -8.378 -19.878 -15.418 1.00 54.41 H new ATOM 267 N ARG A 37 -4.976 -14.246 -15.053 1.00 21.25 N ATOM 268 CA ARG A 37 -5.218 -12.966 -15.707 1.00 11.03 C ATOM 269 C ARG A 37 -4.098 -11.977 -15.398 1.00 1.03 C ATOM 270 O ARG A 37 -3.260 -11.686 -16.252 1.00 31.44 O ATOM 271 CB ARG A 37 -6.562 -12.387 -15.260 1.00 2.02 C ATOM 272 CG ARG A 37 -7.727 -12.797 -16.146 1.00 24.32 C ATOM 273 CD ARG A 37 -7.908 -11.835 -17.309 1.00 64.13 C ATOM 274 NE ARG A 37 -7.026 -12.157 -18.428 1.00 5.21 N ATOM 275 CZ ARG A 37 -6.804 -11.336 -19.448 1.00 45.14 C ATOM 276 NH1 ARG A 37 -7.396 -10.150 -19.491 1.00 23.42 N ATOM 277 NH2 ARG A 37 -5.987 -11.700 -20.429 1.00 32.10 N ATOM 0 H ARG A 37 -5.523 -14.396 -14.205 1.00 21.25 H new ATOM 0 HA ARG A 37 -5.243 -13.135 -16.783 1.00 11.03 H new ATOM 0 HB2 ARG A 37 -6.764 -12.707 -14.238 1.00 2.02 H new ATOM 0 HB3 ARG A 37 -6.493 -11.299 -15.246 1.00 2.02 H new ATOM 0 HG2 ARG A 37 -7.558 -13.804 -16.528 1.00 24.32 H new ATOM 0 HG3 ARG A 37 -8.642 -12.830 -15.554 1.00 24.32 H new ATOM 0 HD2 ARG A 37 -8.945 -11.863 -17.645 1.00 64.13 H new ATOM 0 HD3 ARG A 37 -7.710 -10.818 -16.972 1.00 64.13 H new ATOM 0 HE ARG A 37 -6.555 -13.062 -18.426 1.00 5.21 H new ATOM 0 HH11 ARG A 37 -8.024 -9.866 -18.739 1.00 23.42 H new ATOM 0 HH12 ARG A 37 -7.223 -9.522 -20.276 1.00 23.42 H new ATOM 0 HH21 ARG A 37 -5.529 -12.611 -20.400 1.00 32.10 H new ATOM 0 HH22 ARG A 37 -5.817 -11.069 -21.212 1.00 32.10 H new ATOM 291 N ARG A 38 -4.091 -11.463 -14.172 1.00 65.20 N ATOM 292 CA ARG A 38 -3.075 -10.506 -13.751 1.00 41.21 C ATOM 293 C ARG A 38 -1.673 -11.047 -14.019 1.00 55.44 C ATOM 294 O ARG A 38 -0.737 -10.284 -14.255 1.00 54.03 O ATOM 295 CB ARG A 38 -3.233 -10.183 -12.264 1.00 24.40 C ATOM 296 CG ARG A 38 -4.607 -9.647 -11.900 1.00 34.25 C ATOM 297 CD ARG A 38 -4.801 -8.224 -12.399 1.00 63.13 C ATOM 298 NE ARG A 38 -4.100 -7.251 -11.565 1.00 60.24 N ATOM 299 CZ ARG A 38 -4.247 -5.937 -11.689 1.00 3.34 C ATOM 300 NH1 ARG A 38 -5.065 -5.441 -12.606 1.00 51.23 N ATOM 301 NH2 ARG A 38 -3.574 -5.115 -10.892 1.00 74.43 N ATOM 0 H ARG A 38 -4.777 -11.693 -13.453 1.00 65.20 H new ATOM 0 HA ARG A 38 -3.210 -9.593 -14.331 1.00 41.21 H new ATOM 0 HB2 ARG A 38 -3.038 -11.084 -11.682 1.00 24.40 H new ATOM 0 HB3 ARG A 38 -2.479 -9.450 -11.978 1.00 24.40 H new ATOM 0 HG2 ARG A 38 -5.375 -10.291 -12.328 1.00 34.25 H new ATOM 0 HG3 ARG A 38 -4.734 -9.675 -10.818 1.00 34.25 H new ATOM 0 HD2 ARG A 38 -4.442 -8.148 -13.425 1.00 63.13 H new ATOM 0 HD3 ARG A 38 -5.865 -7.988 -12.416 1.00 63.13 H new ATOM 0 HE ARG A 38 -3.463 -7.600 -10.849 1.00 60.24 H new ATOM 0 HH11 ARG A 38 -5.584 -6.069 -13.219 1.00 51.23 H new ATOM 0 HH12 ARG A 38 -5.175 -4.431 -12.698 1.00 51.23 H new ATOM 0 HH21 ARG A 38 -2.944 -5.493 -10.184 1.00 74.43 H new ATOM 0 HH22 ARG A 38 -3.687 -4.106 -10.988 1.00 74.43 H new ATOM 315 N GLY A 39 -1.537 -12.369 -13.981 1.00 13.32 N ATOM 316 CA GLY A 39 -0.247 -12.989 -14.221 1.00 14.12 C ATOM 317 C GLY A 39 0.464 -13.363 -12.936 1.00 3.43 C ATOM 318 O GLY A 39 1.694 -13.374 -12.878 1.00 45.42 O ATOM 0 H GLY A 39 -2.297 -13.022 -13.788 1.00 13.32 H new ATOM 0 HA2 GLY A 39 -0.384 -13.883 -14.830 1.00 14.12 H new ATOM 0 HA3 GLY A 39 0.380 -12.306 -14.794 1.00 14.12 H new ATOM 322 N THR A 40 -0.310 -13.669 -11.899 1.00 52.34 N ATOM 323 CA THR A 40 0.253 -14.042 -10.608 1.00 40.31 C ATOM 324 C THR A 40 -0.171 -15.450 -10.209 1.00 73.54 C ATOM 325 O THR A 40 -0.989 -16.079 -10.883 1.00 43.42 O ATOM 326 CB THR A 40 -0.174 -13.057 -9.503 1.00 73.12 C ATOM 327 OG1 THR A 40 0.560 -13.320 -8.302 1.00 53.21 O ATOM 328 CG2 THR A 40 -1.666 -13.168 -9.227 1.00 30.44 C ATOM 0 H THR A 40 -1.330 -13.666 -11.929 1.00 52.34 H new ATOM 0 HA THR A 40 1.337 -14.009 -10.715 1.00 40.31 H new ATOM 0 HB THR A 40 0.042 -12.045 -9.845 1.00 73.12 H new ATOM 0 HG1 THR A 40 0.284 -12.689 -7.605 1.00 53.21 H new ATOM 0 HG21 THR A 40 -1.944 -12.463 -8.443 1.00 30.44 H new ATOM 0 HG22 THR A 40 -2.222 -12.939 -10.136 1.00 30.44 H new ATOM 0 HG23 THR A 40 -1.902 -14.182 -8.904 1.00 30.44 H new ATOM 336 N THR A 41 0.388 -15.943 -9.109 1.00 24.13 N ATOM 337 CA THR A 41 0.068 -17.278 -8.620 1.00 62.43 C ATOM 338 C THR A 41 -0.920 -17.218 -7.462 1.00 14.45 C ATOM 339 O THR A 41 -0.867 -16.308 -6.633 1.00 64.25 O ATOM 340 CB THR A 41 1.334 -18.027 -8.162 1.00 32.32 C ATOM 341 OG1 THR A 41 2.231 -17.121 -7.511 1.00 14.34 O ATOM 342 CG2 THR A 41 2.034 -18.680 -9.344 1.00 23.32 C ATOM 0 H THR A 41 1.066 -15.437 -8.539 1.00 24.13 H new ATOM 0 HA THR A 41 -0.384 -17.819 -9.451 1.00 62.43 H new ATOM 0 HB THR A 41 1.034 -18.807 -7.462 1.00 32.32 H new ATOM 0 HG1 THR A 41 3.032 -17.605 -7.222 1.00 14.34 H new ATOM 0 HG21 THR A 41 2.925 -19.203 -8.996 1.00 23.32 H new ATOM 0 HG22 THR A 41 1.358 -19.391 -9.819 1.00 23.32 H new ATOM 0 HG23 THR A 41 2.321 -17.915 -10.065 1.00 23.32 H new ATOM 350 N VAL A 42 -1.823 -18.192 -7.408 1.00 20.00 N ATOM 351 CA VAL A 42 -2.823 -18.250 -6.349 1.00 33.12 C ATOM 352 C VAL A 42 -2.174 -18.145 -4.973 1.00 70.24 C ATOM 353 O VAL A 42 -2.679 -17.455 -4.088 1.00 52.32 O ATOM 354 CB VAL A 42 -3.641 -19.553 -6.420 1.00 72.32 C ATOM 355 CG1 VAL A 42 -4.674 -19.597 -5.305 1.00 32.35 C ATOM 356 CG2 VAL A 42 -4.308 -19.690 -7.781 1.00 3.42 C ATOM 0 H VAL A 42 -1.882 -18.952 -8.086 1.00 20.00 H new ATOM 0 HA VAL A 42 -3.491 -17.402 -6.498 1.00 33.12 H new ATOM 0 HB VAL A 42 -2.962 -20.395 -6.287 1.00 72.32 H new ATOM 0 HG11 VAL A 42 -5.242 -20.525 -5.372 1.00 32.35 H new ATOM 0 HG12 VAL A 42 -4.170 -19.549 -4.340 1.00 32.35 H new ATOM 0 HG13 VAL A 42 -5.352 -18.749 -5.403 1.00 32.35 H new ATOM 0 HG21 VAL A 42 -4.882 -20.616 -7.813 1.00 3.42 H new ATOM 0 HG22 VAL A 42 -4.975 -18.844 -7.946 1.00 3.42 H new ATOM 0 HG23 VAL A 42 -3.546 -19.708 -8.560 1.00 3.42 H new ATOM 366 N ASP A 43 -1.051 -18.834 -4.801 1.00 74.22 N ATOM 367 CA ASP A 43 -0.331 -18.818 -3.533 1.00 41.34 C ATOM 368 C ASP A 43 -0.050 -17.386 -3.087 1.00 22.42 C ATOM 369 O ASP A 43 -0.247 -17.038 -1.923 1.00 24.14 O ATOM 370 CB ASP A 43 0.981 -19.593 -3.658 1.00 23.40 C ATOM 371 CG ASP A 43 0.759 -21.083 -3.832 1.00 41.14 C ATOM 372 OD1 ASP A 43 1.529 -21.714 -4.587 1.00 52.43 O ATOM 373 OD2 ASP A 43 -0.184 -21.618 -3.213 1.00 61.13 O ATOM 0 H ASP A 43 -0.620 -19.410 -5.524 1.00 74.22 H new ATOM 0 HA ASP A 43 -0.957 -19.298 -2.781 1.00 41.34 H new ATOM 0 HB2 ASP A 43 1.546 -19.211 -4.508 1.00 23.40 H new ATOM 0 HB3 ASP A 43 1.588 -19.420 -2.769 1.00 23.40 H new ATOM 378 N VAL A 44 0.413 -16.561 -4.020 1.00 51.32 N ATOM 379 CA VAL A 44 0.721 -15.167 -3.723 1.00 44.01 C ATOM 380 C VAL A 44 -0.550 -14.364 -3.470 1.00 61.54 C ATOM 381 O VAL A 44 -0.631 -13.598 -2.510 1.00 54.12 O ATOM 382 CB VAL A 44 1.511 -14.510 -4.871 1.00 55.21 C ATOM 383 CG1 VAL A 44 1.823 -13.058 -4.542 1.00 22.13 C ATOM 384 CG2 VAL A 44 2.787 -15.288 -5.153 1.00 51.24 C ATOM 0 H VAL A 44 0.583 -16.834 -4.988 1.00 51.32 H new ATOM 0 HA VAL A 44 1.334 -15.164 -2.822 1.00 44.01 H new ATOM 0 HB VAL A 44 0.895 -14.529 -5.770 1.00 55.21 H new ATOM 0 HG11 VAL A 44 2.381 -12.610 -5.364 1.00 22.13 H new ATOM 0 HG12 VAL A 44 0.892 -12.510 -4.395 1.00 22.13 H new ATOM 0 HG13 VAL A 44 2.419 -13.011 -3.631 1.00 22.13 H new ATOM 0 HG21 VAL A 44 3.332 -14.810 -5.967 1.00 51.24 H new ATOM 0 HG22 VAL A 44 3.409 -15.303 -4.258 1.00 51.24 H new ATOM 0 HG23 VAL A 44 2.535 -16.310 -5.436 1.00 51.24 H new ATOM 394 N ILE A 45 -1.540 -14.546 -4.338 1.00 21.33 N ATOM 395 CA ILE A 45 -2.808 -13.840 -4.207 1.00 74.33 C ATOM 396 C ILE A 45 -3.387 -14.004 -2.806 1.00 74.21 C ATOM 397 O ILE A 45 -3.891 -13.048 -2.217 1.00 31.40 O ATOM 398 CB ILE A 45 -3.839 -14.339 -5.238 1.00 3.22 C ATOM 399 CG1 ILE A 45 -3.302 -14.154 -6.659 1.00 23.24 C ATOM 400 CG2 ILE A 45 -5.159 -13.603 -5.065 1.00 72.11 C ATOM 401 CD1 ILE A 45 -4.080 -14.923 -7.703 1.00 51.24 C ATOM 0 H ILE A 45 -1.488 -15.176 -5.139 1.00 21.33 H new ATOM 0 HA ILE A 45 -2.602 -12.786 -4.391 1.00 74.33 H new ATOM 0 HB ILE A 45 -4.013 -15.402 -5.071 1.00 3.22 H new ATOM 0 HG12 ILE A 45 -3.321 -13.094 -6.911 1.00 23.24 H new ATOM 0 HG13 ILE A 45 -2.259 -14.470 -6.689 1.00 23.24 H new ATOM 0 HG21 ILE A 45 -5.877 -13.966 -5.800 1.00 72.11 H new ATOM 0 HG22 ILE A 45 -5.546 -13.780 -4.061 1.00 72.11 H new ATOM 0 HG23 ILE A 45 -5.001 -12.534 -5.209 1.00 72.11 H new ATOM 0 HD11 ILE A 45 -3.644 -14.745 -8.686 1.00 51.24 H new ATOM 0 HD12 ILE A 45 -4.040 -15.988 -7.475 1.00 51.24 H new ATOM 0 HD13 ILE A 45 -5.118 -14.591 -7.701 1.00 51.24 H new ATOM 413 N GLN A 46 -3.310 -15.222 -2.279 1.00 1.35 N ATOM 414 CA GLN A 46 -3.825 -15.510 -0.945 1.00 75.25 C ATOM 415 C GLN A 46 -2.869 -15.005 0.129 1.00 3.14 C ATOM 416 O GLN A 46 -3.294 -14.436 1.135 1.00 43.12 O ATOM 417 CB GLN A 46 -4.052 -17.014 -0.778 1.00 2.34 C ATOM 418 CG GLN A 46 -5.373 -17.498 -1.353 1.00 62.01 C ATOM 419 CD GLN A 46 -6.460 -17.614 -0.302 1.00 65.15 C ATOM 420 OE1 GLN A 46 -6.754 -18.706 0.185 1.00 5.01 O ATOM 421 NE2 GLN A 46 -7.063 -16.486 0.053 1.00 50.14 N ATOM 0 H GLN A 46 -2.897 -16.024 -2.754 1.00 1.35 H new ATOM 0 HA GLN A 46 -4.776 -14.991 -0.830 1.00 75.25 H new ATOM 0 HB2 GLN A 46 -3.236 -17.552 -1.261 1.00 2.34 H new ATOM 0 HB3 GLN A 46 -4.014 -17.263 0.282 1.00 2.34 H new ATOM 0 HG2 GLN A 46 -5.699 -16.810 -2.133 1.00 62.01 H new ATOM 0 HG3 GLN A 46 -5.225 -18.469 -1.826 1.00 62.01 H new ATOM 0 HE21 GLN A 46 -6.787 -15.603 -0.377 1.00 50.14 H new ATOM 0 HE22 GLN A 46 -7.802 -16.502 0.756 1.00 50.14 H new ATOM 430 N SER A 47 -1.575 -15.217 -0.090 1.00 0.02 N ATOM 431 CA SER A 47 -0.558 -14.787 0.862 1.00 2.43 C ATOM 432 C SER A 47 -0.698 -13.299 1.172 1.00 71.30 C ATOM 433 O SER A 47 -0.481 -12.866 2.304 1.00 12.43 O ATOM 434 CB SER A 47 0.840 -15.075 0.312 1.00 4.03 C ATOM 435 OG SER A 47 1.808 -15.064 1.348 1.00 40.55 O ATOM 0 H SER A 47 -1.206 -15.684 -0.919 1.00 0.02 H new ATOM 0 HA SER A 47 -0.700 -15.348 1.786 1.00 2.43 H new ATOM 0 HB2 SER A 47 0.846 -16.045 -0.185 1.00 4.03 H new ATOM 0 HB3 SER A 47 1.099 -14.330 -0.440 1.00 4.03 H new ATOM 0 HG SER A 47 2.693 -15.252 0.971 1.00 40.55 H new ATOM 441 N LEU A 48 -1.062 -12.522 0.158 1.00 72.31 N ATOM 442 CA LEU A 48 -1.232 -11.083 0.320 1.00 51.51 C ATOM 443 C LEU A 48 -2.467 -10.771 1.160 1.00 43.02 C ATOM 444 O LEU A 48 -2.545 -9.724 1.802 1.00 62.44 O ATOM 445 CB LEU A 48 -1.347 -10.406 -1.047 1.00 52.31 C ATOM 446 CG LEU A 48 -0.038 -9.909 -1.662 1.00 55.14 C ATOM 447 CD1 LEU A 48 -0.283 -9.346 -3.054 1.00 3.11 C ATOM 448 CD2 LEU A 48 0.608 -8.862 -0.767 1.00 51.33 C ATOM 0 H LEU A 48 -1.245 -12.865 -0.785 1.00 72.31 H new ATOM 0 HA LEU A 48 -0.355 -10.695 0.839 1.00 51.51 H new ATOM 0 HB2 LEU A 48 -1.807 -11.109 -1.741 1.00 52.31 H new ATOM 0 HB3 LEU A 48 -2.026 -9.559 -0.955 1.00 52.31 H new ATOM 0 HG LEU A 48 0.645 -10.754 -1.749 1.00 55.14 H new ATOM 0 HD11 LEU A 48 0.659 -8.997 -3.476 1.00 3.11 H new ATOM 0 HD12 LEU A 48 -0.701 -10.124 -3.693 1.00 3.11 H new ATOM 0 HD13 LEU A 48 -0.983 -8.513 -2.992 1.00 3.11 H new ATOM 0 HD21 LEU A 48 1.538 -8.520 -1.220 1.00 51.33 H new ATOM 0 HD22 LEU A 48 -0.070 -8.017 -0.648 1.00 51.33 H new ATOM 0 HD23 LEU A 48 0.819 -9.298 0.209 1.00 51.33 H new ATOM 460 N ASN A 49 -3.428 -11.688 1.152 1.00 74.33 N ATOM 461 CA ASN A 49 -4.659 -11.512 1.914 1.00 30.23 C ATOM 462 C ASN A 49 -4.963 -12.752 2.750 1.00 0.34 C ATOM 463 O ASN A 49 -5.867 -13.530 2.446 1.00 63.24 O ATOM 464 CB ASN A 49 -5.829 -11.219 0.973 1.00 12.53 C ATOM 465 CG ASN A 49 -5.499 -10.140 -0.040 1.00 53.23 C ATOM 466 OD1 ASN A 49 -5.811 -8.966 0.162 1.00 73.21 O ATOM 467 ND2 ASN A 49 -4.865 -10.534 -1.138 1.00 52.04 N ATOM 0 H ASN A 49 -3.378 -12.561 0.626 1.00 74.33 H new ATOM 0 HA ASN A 49 -4.522 -10.666 2.587 1.00 30.23 H new ATOM 0 HB2 ASN A 49 -6.108 -12.133 0.449 1.00 12.53 H new ATOM 0 HB3 ASN A 49 -6.695 -10.911 1.559 1.00 12.53 H new ATOM 0 HD21 ASN A 49 -4.617 -9.853 -1.856 1.00 52.04 H new ATOM 0 HD22 ASN A 49 -4.626 -11.518 -1.264 1.00 52.04 H new ATOM 474 N PRO A 50 -4.191 -12.940 3.831 1.00 32.21 N ATOM 475 CA PRO A 50 -4.359 -14.083 4.734 1.00 13.53 C ATOM 476 C PRO A 50 -5.646 -13.994 5.548 1.00 51.04 C ATOM 477 O PRO A 50 -6.150 -15.001 6.042 1.00 21.43 O ATOM 478 CB PRO A 50 -3.139 -13.991 5.653 1.00 5.22 C ATOM 479 CG PRO A 50 -2.756 -12.551 5.632 1.00 21.12 C ATOM 480 CD PRO A 50 -3.095 -12.053 4.255 1.00 53.53 C ATOM 0 HA PRO A 50 -4.431 -15.025 4.190 1.00 13.53 H new ATOM 0 HB2 PRO A 50 -3.379 -14.322 6.663 1.00 5.22 H new ATOM 0 HB3 PRO A 50 -2.326 -14.622 5.295 1.00 5.22 H new ATOM 0 HG2 PRO A 50 -3.299 -11.992 6.394 1.00 21.12 H new ATOM 0 HG3 PRO A 50 -1.694 -12.427 5.841 1.00 21.12 H new ATOM 0 HD2 PRO A 50 -3.407 -11.009 4.271 1.00 53.53 H new ATOM 0 HD3 PRO A 50 -2.240 -12.120 3.582 1.00 53.53 H new ATOM 488 N GLY A 51 -6.174 -12.781 5.682 1.00 50.13 N ATOM 489 CA GLY A 51 -7.398 -12.584 6.436 1.00 51.22 C ATOM 490 C GLY A 51 -8.609 -13.171 5.739 1.00 33.51 C ATOM 491 O GLY A 51 -9.524 -13.677 6.389 1.00 14.24 O ATOM 0 H GLY A 51 -5.776 -11.931 5.282 1.00 50.13 H new ATOM 0 HA2 GLY A 51 -7.292 -13.041 7.420 1.00 51.22 H new ATOM 0 HA3 GLY A 51 -7.556 -11.517 6.595 1.00 51.22 H new ATOM 495 N VAL A 52 -8.617 -13.104 4.411 1.00 21.35 N ATOM 496 CA VAL A 52 -9.725 -13.633 3.626 1.00 72.44 C ATOM 497 C VAL A 52 -9.429 -15.048 3.141 1.00 70.12 C ATOM 498 O VAL A 52 -8.270 -15.442 3.012 1.00 22.15 O ATOM 499 CB VAL A 52 -10.028 -12.738 2.409 1.00 33.52 C ATOM 500 CG1 VAL A 52 -10.330 -11.316 2.855 1.00 44.33 C ATOM 501 CG2 VAL A 52 -8.867 -12.764 1.427 1.00 2.32 C ATOM 0 H VAL A 52 -7.868 -12.688 3.857 1.00 21.35 H new ATOM 0 HA VAL A 52 -10.596 -13.651 4.281 1.00 72.44 H new ATOM 0 HB VAL A 52 -10.910 -13.129 1.902 1.00 33.52 H new ATOM 0 HG11 VAL A 52 -10.542 -10.698 1.982 1.00 44.33 H new ATOM 0 HG12 VAL A 52 -11.196 -11.318 3.517 1.00 44.33 H new ATOM 0 HG13 VAL A 52 -9.469 -10.911 3.386 1.00 44.33 H new ATOM 0 HG21 VAL A 52 -9.098 -12.127 0.574 1.00 2.32 H new ATOM 0 HG22 VAL A 52 -7.966 -12.399 1.919 1.00 2.32 H new ATOM 0 HG23 VAL A 52 -8.704 -13.785 1.083 1.00 2.32 H new ATOM 511 N VAL A 53 -10.485 -15.809 2.872 1.00 53.02 N ATOM 512 CA VAL A 53 -10.339 -17.180 2.399 1.00 32.41 C ATOM 513 C VAL A 53 -11.415 -17.527 1.376 1.00 50.41 C ATOM 514 O VAL A 53 -12.489 -16.925 1.339 1.00 4.13 O ATOM 515 CB VAL A 53 -10.411 -18.186 3.563 1.00 20.14 C ATOM 516 CG1 VAL A 53 -9.096 -18.213 4.328 1.00 71.12 C ATOM 517 CG2 VAL A 53 -11.569 -17.846 4.490 1.00 62.33 C ATOM 0 H VAL A 53 -11.451 -15.499 2.974 1.00 53.02 H new ATOM 0 HA VAL A 53 -9.358 -17.249 1.928 1.00 32.41 H new ATOM 0 HB VAL A 53 -10.585 -19.180 3.151 1.00 20.14 H new ATOM 0 HG11 VAL A 53 -9.166 -18.929 5.147 1.00 71.12 H new ATOM 0 HG12 VAL A 53 -8.290 -18.508 3.656 1.00 71.12 H new ATOM 0 HG13 VAL A 53 -8.889 -17.221 4.730 1.00 71.12 H new ATOM 0 HG21 VAL A 53 -11.605 -18.567 5.307 1.00 62.33 H new ATOM 0 HG22 VAL A 53 -11.428 -16.844 4.896 1.00 62.33 H new ATOM 0 HG23 VAL A 53 -12.505 -17.883 3.932 1.00 62.33 H new ATOM 527 N PRO A 54 -11.123 -18.520 0.524 1.00 72.43 N ATOM 528 CA PRO A 54 -12.053 -18.970 -0.516 1.00 35.50 C ATOM 529 C PRO A 54 -13.266 -19.692 0.064 1.00 44.35 C ATOM 530 O PRO A 54 -14.331 -19.731 -0.552 1.00 54.12 O ATOM 531 CB PRO A 54 -11.209 -19.933 -1.355 1.00 32.01 C ATOM 532 CG PRO A 54 -10.156 -20.424 -0.423 1.00 31.23 C ATOM 533 CD PRO A 54 -9.863 -19.282 0.510 1.00 43.42 C ATOM 0 HA PRO A 54 -12.463 -18.135 -1.084 1.00 35.50 H new ATOM 0 HB2 PRO A 54 -11.812 -20.756 -1.740 1.00 32.01 H new ATOM 0 HB3 PRO A 54 -10.771 -19.428 -2.216 1.00 32.01 H new ATOM 0 HG2 PRO A 54 -10.500 -21.299 0.128 1.00 31.23 H new ATOM 0 HG3 PRO A 54 -9.260 -20.722 -0.968 1.00 31.23 H new ATOM 0 HD2 PRO A 54 -9.596 -19.635 1.506 1.00 43.42 H new ATOM 0 HD3 PRO A 54 -9.031 -18.675 0.153 1.00 43.42 H new ATOM 541 N THR A 55 -13.097 -20.262 1.253 1.00 43.04 N ATOM 542 CA THR A 55 -14.177 -20.982 1.915 1.00 64.50 C ATOM 543 C THR A 55 -15.405 -20.096 2.086 1.00 21.22 C ATOM 544 O THR A 55 -16.534 -20.533 1.861 1.00 64.23 O ATOM 545 CB THR A 55 -13.739 -21.506 3.296 1.00 44.31 C ATOM 546 OG1 THR A 55 -13.018 -20.488 3.999 1.00 4.13 O ATOM 547 CG2 THR A 55 -12.868 -22.745 3.154 1.00 43.12 C ATOM 0 H THR A 55 -12.222 -20.239 1.777 1.00 43.04 H new ATOM 0 HA THR A 55 -14.430 -21.829 1.277 1.00 64.50 H new ATOM 0 HB THR A 55 -14.633 -21.773 3.859 1.00 44.31 H new ATOM 0 HG1 THR A 55 -12.744 -20.828 4.877 1.00 4.13 H new ATOM 0 HG21 THR A 55 -12.571 -23.096 4.142 1.00 43.12 H new ATOM 0 HG22 THR A 55 -13.429 -23.528 2.644 1.00 43.12 H new ATOM 0 HG23 THR A 55 -11.978 -22.500 2.574 1.00 43.12 H new ATOM 555 N ARG A 56 -15.178 -18.849 2.485 1.00 30.15 N ATOM 556 CA ARG A 56 -16.267 -17.901 2.687 1.00 33.33 C ATOM 557 C ARG A 56 -16.209 -16.779 1.656 1.00 52.44 C ATOM 558 O ARG A 56 -16.237 -15.598 2.005 1.00 43.30 O ATOM 559 CB ARG A 56 -16.207 -17.315 4.099 1.00 44.11 C ATOM 560 CG ARG A 56 -14.814 -16.867 4.513 1.00 74.10 C ATOM 561 CD ARG A 56 -14.870 -15.825 5.619 1.00 54.32 C ATOM 562 NE ARG A 56 -15.052 -14.475 5.090 1.00 30.43 N ATOM 563 CZ ARG A 56 -15.411 -13.436 5.836 1.00 62.21 C ATOM 564 NH1 ARG A 56 -15.625 -13.591 7.135 1.00 1.22 N ATOM 565 NH2 ARG A 56 -15.556 -12.239 5.282 1.00 23.20 N ATOM 0 H ARG A 56 -14.250 -18.472 2.675 1.00 30.15 H new ATOM 0 HA ARG A 56 -17.208 -18.436 2.563 1.00 33.33 H new ATOM 0 HB2 ARG A 56 -16.886 -16.465 4.160 1.00 44.11 H new ATOM 0 HB3 ARG A 56 -16.566 -18.061 4.808 1.00 44.11 H new ATOM 0 HG2 ARG A 56 -14.239 -17.729 4.852 1.00 74.10 H new ATOM 0 HG3 ARG A 56 -14.291 -16.455 3.650 1.00 74.10 H new ATOM 0 HD2 ARG A 56 -15.689 -16.061 6.299 1.00 54.32 H new ATOM 0 HD3 ARG A 56 -13.950 -15.865 6.202 1.00 54.32 H new ATOM 0 HE ARG A 56 -14.895 -14.322 4.094 1.00 30.43 H new ATOM 0 HH11 ARG A 56 -15.514 -14.510 7.564 1.00 1.22 H new ATOM 0 HH12 ARG A 56 -15.901 -12.792 7.705 1.00 1.22 H new ATOM 0 HH21 ARG A 56 -15.392 -12.116 4.283 1.00 23.20 H new ATOM 0 HH22 ARG A 56 -15.832 -11.442 5.855 1.00 23.20 H new ATOM 579 N LEU A 57 -16.128 -17.154 0.384 1.00 32.40 N ATOM 580 CA LEU A 57 -16.066 -16.180 -0.699 1.00 43.55 C ATOM 581 C LEU A 57 -17.203 -15.169 -0.589 1.00 73.45 C ATOM 582 O LEU A 57 -18.262 -15.471 -0.040 1.00 32.22 O ATOM 583 CB LEU A 57 -16.127 -16.888 -2.054 1.00 22.13 C ATOM 584 CG LEU A 57 -14.786 -17.325 -2.644 1.00 25.34 C ATOM 585 CD1 LEU A 57 -15.000 -18.268 -3.817 1.00 75.23 C ATOM 586 CD2 LEU A 57 -13.971 -16.113 -3.073 1.00 33.52 C ATOM 0 H LEU A 57 -16.104 -18.127 0.078 1.00 32.40 H new ATOM 0 HA LEU A 57 -15.120 -15.645 -0.618 1.00 43.55 H new ATOM 0 HB2 LEU A 57 -16.761 -17.769 -1.953 1.00 22.13 H new ATOM 0 HB3 LEU A 57 -16.616 -16.224 -2.767 1.00 22.13 H new ATOM 0 HG LEU A 57 -14.229 -17.858 -1.873 1.00 25.34 H new ATOM 0 HD11 LEU A 57 -14.034 -18.568 -4.224 1.00 75.23 H new ATOM 0 HD12 LEU A 57 -15.542 -19.151 -3.479 1.00 75.23 H new ATOM 0 HD13 LEU A 57 -15.578 -17.762 -4.590 1.00 75.23 H new ATOM 0 HD21 LEU A 57 -13.020 -16.443 -3.490 1.00 33.52 H new ATOM 0 HD22 LEU A 57 -14.523 -15.552 -3.827 1.00 33.52 H new ATOM 0 HD23 LEU A 57 -13.786 -15.475 -2.209 1.00 33.52 H new ATOM 598 N GLN A 58 -16.977 -13.971 -1.118 1.00 21.02 N ATOM 599 CA GLN A 58 -17.984 -12.917 -1.080 1.00 31.42 C ATOM 600 C GLN A 58 -17.858 -12.000 -2.291 1.00 42.35 C ATOM 601 O GLN A 58 -16.950 -11.172 -2.364 1.00 43.32 O ATOM 602 CB GLN A 58 -17.852 -12.102 0.208 1.00 61.51 C ATOM 603 CG GLN A 58 -18.645 -12.673 1.373 1.00 41.42 C ATOM 604 CD GLN A 58 -18.615 -11.775 2.594 1.00 23.12 C ATOM 605 OE1 GLN A 58 -18.383 -10.570 2.488 1.00 24.51 O ATOM 606 NE2 GLN A 58 -18.850 -12.358 3.764 1.00 60.43 N ATOM 0 H GLN A 58 -16.106 -13.706 -1.578 1.00 21.02 H new ATOM 0 HA GLN A 58 -18.967 -13.388 -1.104 1.00 31.42 H new ATOM 0 HB2 GLN A 58 -16.800 -12.047 0.487 1.00 61.51 H new ATOM 0 HB3 GLN A 58 -18.185 -11.082 0.018 1.00 61.51 H new ATOM 0 HG2 GLN A 58 -19.679 -12.825 1.064 1.00 41.42 H new ATOM 0 HG3 GLN A 58 -18.243 -13.652 1.636 1.00 41.42 H new ATOM 0 HE21 GLN A 58 -19.038 -13.360 3.806 1.00 60.43 H new ATOM 0 HE22 GLN A 58 -18.843 -11.804 4.620 1.00 60.43 H new ATOM 615 N VAL A 59 -18.775 -12.153 -3.242 1.00 2.33 N ATOM 616 CA VAL A 59 -18.767 -11.337 -4.450 1.00 64.44 C ATOM 617 C VAL A 59 -18.914 -9.857 -4.116 1.00 30.31 C ATOM 618 O VAL A 59 -19.725 -9.479 -3.272 1.00 10.31 O ATOM 619 CB VAL A 59 -19.896 -11.750 -5.413 1.00 43.23 C ATOM 620 CG1 VAL A 59 -19.795 -13.229 -5.751 1.00 75.45 C ATOM 621 CG2 VAL A 59 -21.254 -11.423 -4.812 1.00 12.12 C ATOM 0 H VAL A 59 -19.533 -12.835 -3.199 1.00 2.33 H new ATOM 0 HA VAL A 59 -17.806 -11.502 -4.937 1.00 64.44 H new ATOM 0 HB VAL A 59 -19.788 -11.183 -6.338 1.00 43.23 H new ATOM 0 HG11 VAL A 59 -20.601 -13.502 -6.432 1.00 75.45 H new ATOM 0 HG12 VAL A 59 -18.835 -13.429 -6.226 1.00 75.45 H new ATOM 0 HG13 VAL A 59 -19.877 -13.817 -4.837 1.00 75.45 H new ATOM 0 HG21 VAL A 59 -22.040 -11.721 -5.506 1.00 12.12 H new ATOM 0 HG22 VAL A 59 -21.375 -11.962 -3.872 1.00 12.12 H new ATOM 0 HG23 VAL A 59 -21.321 -10.351 -4.627 1.00 12.12 H new ATOM 631 N GLY A 60 -18.124 -9.023 -4.785 1.00 24.22 N ATOM 632 CA GLY A 60 -18.182 -7.593 -4.545 1.00 22.20 C ATOM 633 C GLY A 60 -17.271 -7.157 -3.414 1.00 61.44 C ATOM 634 O GLY A 60 -17.665 -6.358 -2.566 1.00 24.14 O ATOM 0 H GLY A 60 -17.445 -9.312 -5.489 1.00 24.22 H new ATOM 0 HA2 GLY A 60 -17.904 -7.063 -5.456 1.00 22.20 H new ATOM 0 HA3 GLY A 60 -19.208 -7.308 -4.311 1.00 22.20 H new ATOM 638 N GLN A 61 -16.051 -7.685 -3.402 1.00 71.14 N ATOM 639 CA GLN A 61 -15.083 -7.347 -2.366 1.00 33.15 C ATOM 640 C GLN A 61 -13.732 -6.992 -2.977 1.00 51.11 C ATOM 641 O GLN A 61 -13.242 -7.684 -3.870 1.00 3.25 O ATOM 642 CB GLN A 61 -14.923 -8.513 -1.388 1.00 14.31 C ATOM 643 CG GLN A 61 -14.503 -8.083 0.008 1.00 0.52 C ATOM 644 CD GLN A 61 -14.255 -9.259 0.932 1.00 73.05 C ATOM 645 OE1 GLN A 61 -14.836 -9.346 2.014 1.00 24.30 O ATOM 646 NE2 GLN A 61 -13.390 -10.173 0.508 1.00 43.52 N ATOM 0 H GLN A 61 -15.710 -8.348 -4.098 1.00 71.14 H new ATOM 0 HA GLN A 61 -15.456 -6.477 -1.826 1.00 33.15 H new ATOM 0 HB2 GLN A 61 -15.867 -9.055 -1.324 1.00 14.31 H new ATOM 0 HB3 GLN A 61 -14.183 -9.209 -1.783 1.00 14.31 H new ATOM 0 HG2 GLN A 61 -13.597 -7.481 -0.059 1.00 0.52 H new ATOM 0 HG3 GLN A 61 -15.277 -7.447 0.436 1.00 0.52 H new ATOM 0 HE21 GLN A 61 -12.931 -10.060 -0.396 1.00 43.52 H new ATOM 0 HE22 GLN A 61 -13.184 -10.988 1.086 1.00 43.52 H new ATOM 655 N VAL A 62 -13.135 -5.908 -2.491 1.00 64.33 N ATOM 656 CA VAL A 62 -11.839 -5.461 -2.990 1.00 33.34 C ATOM 657 C VAL A 62 -10.701 -6.042 -2.159 1.00 3.15 C ATOM 658 O VAL A 62 -10.699 -5.938 -0.931 1.00 70.35 O ATOM 659 CB VAL A 62 -11.735 -3.925 -2.981 1.00 44.32 C ATOM 660 CG1 VAL A 62 -10.454 -3.473 -3.667 1.00 54.32 C ATOM 661 CG2 VAL A 62 -12.954 -3.304 -3.647 1.00 64.41 C ATOM 0 H VAL A 62 -13.528 -5.323 -1.753 1.00 64.33 H new ATOM 0 HA VAL A 62 -11.754 -5.817 -4.017 1.00 33.34 H new ATOM 0 HB VAL A 62 -11.704 -3.586 -1.945 1.00 44.32 H new ATOM 0 HG11 VAL A 62 -10.397 -2.385 -3.651 1.00 54.32 H new ATOM 0 HG12 VAL A 62 -9.594 -3.889 -3.142 1.00 54.32 H new ATOM 0 HG13 VAL A 62 -10.452 -3.821 -4.700 1.00 54.32 H new ATOM 0 HG21 VAL A 62 -12.863 -2.218 -3.632 1.00 64.41 H new ATOM 0 HG22 VAL A 62 -13.019 -3.648 -4.679 1.00 64.41 H new ATOM 0 HG23 VAL A 62 -13.854 -3.601 -3.108 1.00 64.41 H new ATOM 671 N ILE A 63 -9.733 -6.652 -2.835 1.00 35.21 N ATOM 672 CA ILE A 63 -8.588 -7.248 -2.159 1.00 2.03 C ATOM 673 C ILE A 63 -7.286 -6.583 -2.593 1.00 52.02 C ATOM 674 O ILE A 63 -7.290 -5.666 -3.413 1.00 44.20 O ATOM 675 CB ILE A 63 -8.495 -8.760 -2.434 1.00 74.42 C ATOM 676 CG1 ILE A 63 -8.400 -9.022 -3.939 1.00 11.12 C ATOM 677 CG2 ILE A 63 -9.697 -9.481 -1.841 1.00 24.21 C ATOM 678 CD1 ILE A 63 -7.675 -10.303 -4.285 1.00 24.45 C ATOM 0 H ILE A 63 -9.719 -6.746 -3.851 1.00 35.21 H new ATOM 0 HA ILE A 63 -8.736 -7.090 -1.091 1.00 2.03 H new ATOM 0 HB ILE A 63 -7.593 -9.146 -1.959 1.00 74.42 H new ATOM 0 HG12 ILE A 63 -9.406 -9.059 -4.357 1.00 11.12 H new ATOM 0 HG13 ILE A 63 -7.888 -8.185 -4.414 1.00 11.12 H new ATOM 0 HG21 ILE A 63 -9.617 -10.549 -2.044 1.00 24.21 H new ATOM 0 HG22 ILE A 63 -9.725 -9.317 -0.764 1.00 24.21 H new ATOM 0 HG23 ILE A 63 -10.612 -9.094 -2.290 1.00 24.21 H new ATOM 0 HD11 ILE A 63 -7.646 -10.423 -5.368 1.00 24.45 H new ATOM 0 HD12 ILE A 63 -6.657 -10.261 -3.897 1.00 24.45 H new ATOM 0 HD13 ILE A 63 -8.199 -11.149 -3.840 1.00 24.45 H new ATOM 690 N ASN A 64 -6.174 -7.054 -2.039 1.00 2.33 N ATOM 691 CA ASN A 64 -4.864 -6.505 -2.370 1.00 25.51 C ATOM 692 C ASN A 64 -4.149 -7.384 -3.393 1.00 13.51 C ATOM 693 O ASN A 64 -4.181 -8.611 -3.303 1.00 44.14 O ATOM 694 CB ASN A 64 -4.008 -6.375 -1.108 1.00 14.22 C ATOM 695 CG ASN A 64 -4.198 -5.038 -0.417 1.00 62.20 C ATOM 696 OD1 ASN A 64 -3.821 -3.993 -0.948 1.00 63.51 O ATOM 697 ND2 ASN A 64 -4.784 -5.066 0.774 1.00 54.20 N ATOM 0 H ASN A 64 -6.153 -7.814 -1.359 1.00 2.33 H new ATOM 0 HA ASN A 64 -5.012 -5.516 -2.805 1.00 25.51 H new ATOM 0 HB2 ASN A 64 -4.261 -7.178 -0.416 1.00 14.22 H new ATOM 0 HB3 ASN A 64 -2.957 -6.500 -1.370 1.00 14.22 H new ATOM 0 HD21 ASN A 64 -4.938 -4.198 1.287 1.00 54.20 H new ATOM 0 HD22 ASN A 64 -5.080 -5.955 1.176 1.00 54.20 H new ATOM 704 N VAL A 65 -3.505 -6.746 -4.365 1.00 50.41 N ATOM 705 CA VAL A 65 -2.781 -7.468 -5.405 1.00 11.45 C ATOM 706 C VAL A 65 -1.526 -6.712 -5.827 1.00 13.34 C ATOM 707 O VAL A 65 -1.423 -5.495 -5.672 1.00 53.41 O ATOM 708 CB VAL A 65 -3.666 -7.705 -6.643 1.00 45.51 C ATOM 709 CG1 VAL A 65 -4.635 -8.850 -6.396 1.00 31.21 C ATOM 710 CG2 VAL A 65 -4.413 -6.433 -7.014 1.00 53.14 C ATOM 0 H VAL A 65 -3.470 -5.731 -4.454 1.00 50.41 H new ATOM 0 HA VAL A 65 -2.496 -8.431 -4.982 1.00 11.45 H new ATOM 0 HB VAL A 65 -3.024 -7.980 -7.480 1.00 45.51 H new ATOM 0 HG11 VAL A 65 -5.252 -9.002 -7.282 1.00 31.21 H new ATOM 0 HG12 VAL A 65 -4.075 -9.761 -6.183 1.00 31.21 H new ATOM 0 HG13 VAL A 65 -5.274 -8.609 -5.546 1.00 31.21 H new ATOM 0 HG21 VAL A 65 -5.034 -6.618 -7.891 1.00 53.14 H new ATOM 0 HG22 VAL A 65 -5.045 -6.126 -6.181 1.00 53.14 H new ATOM 0 HG23 VAL A 65 -3.697 -5.642 -7.237 1.00 53.14 H new ATOM 720 N PRO A 66 -0.548 -7.448 -6.373 1.00 62.25 N ATOM 721 CA PRO A 66 0.718 -6.868 -6.831 1.00 5.04 C ATOM 722 C PRO A 66 0.544 -6.000 -8.072 1.00 73.44 C ATOM 723 O PRO A 66 0.248 -6.503 -9.157 1.00 12.01 O ATOM 724 CB PRO A 66 1.575 -8.095 -7.152 1.00 23.01 C ATOM 725 CG PRO A 66 0.594 -9.173 -7.459 1.00 53.31 C ATOM 726 CD PRO A 66 -0.602 -8.904 -6.588 1.00 53.02 C ATOM 0 HA PRO A 66 1.157 -6.208 -6.083 1.00 5.04 H new ATOM 0 HB2 PRO A 66 2.234 -7.907 -7.999 1.00 23.01 H new ATOM 0 HB3 PRO A 66 2.210 -8.366 -6.308 1.00 23.01 H new ATOM 0 HG2 PRO A 66 0.319 -9.162 -8.514 1.00 53.31 H new ATOM 0 HG3 PRO A 66 1.016 -10.156 -7.250 1.00 53.31 H new ATOM 0 HD2 PRO A 66 -1.530 -9.204 -7.076 1.00 53.02 H new ATOM 0 HD3 PRO A 66 -0.545 -9.451 -5.647 1.00 53.02 H new ATOM 734 N CYS A 67 0.729 -4.695 -7.907 1.00 50.02 N ATOM 735 CA CYS A 67 0.592 -3.757 -9.014 1.00 40.55 C ATOM 736 C CYS A 67 1.693 -3.971 -10.049 1.00 60.50 C ATOM 737 O CYS A 67 2.185 -3.018 -10.653 1.00 73.23 O ATOM 738 CB CYS A 67 0.636 -2.317 -8.499 1.00 13.24 C ATOM 739 SG CYS A 67 -0.285 -1.130 -9.529 1.00 0.41 S ATOM 0 H CYS A 67 0.974 -4.263 -7.016 1.00 50.02 H new ATOM 0 HA CYS A 67 -0.371 -3.937 -9.491 1.00 40.55 H new ATOM 0 HB2 CYS A 67 0.233 -2.292 -7.487 1.00 13.24 H new ATOM 0 HB3 CYS A 67 1.676 -1.997 -8.436 1.00 13.24 H new TER 744 CYS A 67