USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 657 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 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 28 THR OG1 : rot -170:sc= 0.112 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.724 K(o=-0.72,f=0) USER MOD Single : A 22 CYS SG : rot 24:sc= 0.291 USER MOD Single : A 29 THR OG1 : rot 180:sc=0.000282 USER MOD Single : A 30 CYS SG : rot 180:sc= -2.56! USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 39 GLN : amide:sc= -0.399 X(o=-0.4,f=0) USER MOD Single : A 44 THR OG1 : rot 93:sc= 1.17 USER MOD Single : A 47 TYR OH : rot 130:sc= 0.0978 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 96:sc= 0.029 USER MOD Single : A 59 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-1.3) USER MOD Single : A 63 HIS : no HD1:sc= -4.15! K(o=-4.2!,f=-3.1) USER MOD Single : A 65 ASN : amide:sc= -2.99! C(o=-3!,f=-3.7!) USER MOD Single : A 69 SER OG : rot 79:sc= 1.13 USER MOD Single : A 71 ASN : amide:sc= -0.129 K(o=-0.13,f=-2!) USER MOD Single : A 72 LYS NZ :NH3+ -136:sc= 2.19 (180deg=0.715) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0557 USER MOD Single : A 81 GLN : amide:sc= -0.186 K(o=-0.19,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.290 11.800 -3.965 1.00 0.00 N ATOM 60 CA GLY A 7 5.008 11.138 -3.814 1.00 0.00 C ATOM 61 C GLY A 7 4.407 11.344 -2.438 1.00 0.00 C ATOM 62 O GLY A 7 4.833 12.227 -1.694 1.00 0.00 O ATOM 0 HA2 GLY A 7 4.317 11.514 -4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.130 10.071 -3.998 1.00 0.00 H new ATOM 66 N MET A 8 3.414 10.528 -2.099 1.00 0.00 N ATOM 67 CA MET A 8 2.754 10.626 -0.802 1.00 0.00 C ATOM 68 C MET A 8 3.235 9.524 0.137 1.00 0.00 C ATOM 69 O MET A 8 3.973 8.628 -0.270 1.00 0.00 O ATOM 70 CB MET A 8 1.236 10.542 -0.971 1.00 0.00 C ATOM 71 CG MET A 8 0.599 11.854 -1.400 1.00 0.00 C ATOM 72 SD MET A 8 -1.098 12.026 -0.814 1.00 0.00 S ATOM 73 CE MET A 8 -0.822 12.621 0.853 1.00 0.00 C ATOM 0 H MET A 8 3.049 9.792 -2.704 1.00 0.00 H new ATOM 0 HA MET A 8 3.010 11.590 -0.363 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.003 9.776 -1.710 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.791 10.222 -0.029 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.196 12.684 -1.022 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.612 11.921 -2.488 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.781 12.776 1.347 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.241 11.886 1.410 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.276 13.564 0.817 1.00 0.00 H new ATOM 83 N GLU A 9 2.811 9.598 1.395 1.00 0.00 N ATOM 84 CA GLU A 9 3.200 8.607 2.391 1.00 0.00 C ATOM 85 C GLU A 9 1.972 8.016 3.079 1.00 0.00 C ATOM 86 O GLU A 9 1.168 8.739 3.668 1.00 0.00 O ATOM 87 CB GLU A 9 4.128 9.235 3.433 1.00 0.00 C ATOM 88 CG GLU A 9 5.484 9.636 2.876 1.00 0.00 C ATOM 89 CD GLU A 9 6.507 8.520 2.973 1.00 0.00 C ATOM 90 OE1 GLU A 9 6.468 7.604 2.125 1.00 0.00 O ATOM 91 OE2 GLU A 9 7.347 8.564 3.896 1.00 0.00 O ATOM 0 H GLU A 9 2.199 10.333 1.748 1.00 0.00 H new ATOM 0 HA GLU A 9 3.731 7.804 1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.643 10.115 3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.274 8.528 4.250 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.371 9.931 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.851 10.509 3.416 1.00 0.00 H new ATOM 98 N LEU A 10 1.835 6.697 2.999 1.00 0.00 N ATOM 99 CA LEU A 10 0.705 6.007 3.612 1.00 0.00 C ATOM 100 C LEU A 10 1.182 5.011 4.664 1.00 0.00 C ATOM 101 O LEU A 10 1.835 4.017 4.344 1.00 0.00 O ATOM 102 CB LEU A 10 -0.117 5.284 2.544 1.00 0.00 C ATOM 103 CG LEU A 10 -1.567 4.966 2.914 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.453 6.183 2.694 1.00 0.00 C ATOM 105 CD2 LEU A 10 -2.075 3.780 2.108 1.00 0.00 C ATOM 0 H LEU A 10 2.492 6.084 2.516 1.00 0.00 H new ATOM 0 HA LEU A 10 0.078 6.752 4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.119 5.894 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.387 4.350 2.297 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.603 4.703 3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.481 5.938 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.102 7.006 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.412 6.478 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.108 3.568 2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.025 4.014 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.457 2.907 2.317 1.00 0.00 H new ATOM 117 N LYS A 11 0.850 5.282 5.922 1.00 0.00 N ATOM 118 CA LYS A 11 1.241 4.408 7.022 1.00 0.00 C ATOM 119 C LYS A 11 0.166 3.360 7.292 1.00 0.00 C ATOM 120 O LYS A 11 -0.951 3.690 7.690 1.00 0.00 O ATOM 121 CB LYS A 11 1.495 5.231 8.287 1.00 0.00 C ATOM 122 CG LYS A 11 0.598 6.450 8.411 1.00 0.00 C ATOM 123 CD LYS A 11 0.563 6.974 9.837 1.00 0.00 C ATOM 124 CE LYS A 11 1.807 7.787 10.163 1.00 0.00 C ATOM 125 NZ LYS A 11 1.704 8.450 11.492 1.00 0.00 N ATOM 0 H LYS A 11 0.311 6.100 6.205 1.00 0.00 H new ATOM 0 HA LYS A 11 2.160 3.895 6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.351 4.594 9.160 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.536 5.554 8.297 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.954 7.234 7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.412 6.194 8.092 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.324 7.592 9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.481 6.138 10.531 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.681 7.135 10.149 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.960 8.542 9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.571 8.994 11.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.885 9.091 11.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.584 7.729 12.231 1.00 0.00 H new ATOM 139 N VAL A 12 0.512 2.095 7.075 1.00 0.00 N ATOM 140 CA VAL A 12 -0.422 0.998 7.297 1.00 0.00 C ATOM 141 C VAL A 12 0.199 -0.084 8.173 1.00 0.00 C ATOM 142 O VAL A 12 1.352 -0.470 7.976 1.00 0.00 O ATOM 143 CB VAL A 12 -0.876 0.369 5.967 1.00 0.00 C ATOM 144 CG1 VAL A 12 -2.180 -0.392 6.153 1.00 0.00 C ATOM 145 CG2 VAL A 12 -1.022 1.438 4.895 1.00 0.00 C ATOM 0 H VAL A 12 1.433 1.805 6.746 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.289 1.419 7.805 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.114 -0.339 5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.485 -0.829 5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.037 -1.184 6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.954 0.292 6.502 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.343 0.976 3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.764 2.171 5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.063 1.934 4.743 1.00 0.00 H new ATOM 155 N TRP A 13 -0.571 -0.571 9.139 1.00 0.00 N ATOM 156 CA TRP A 13 -0.095 -1.610 10.045 1.00 0.00 C ATOM 157 C TRP A 13 0.215 -2.895 9.285 1.00 0.00 C ATOM 158 O TRP A 13 -0.689 -3.657 8.941 1.00 0.00 O ATOM 159 CB TRP A 13 -1.137 -1.884 11.131 1.00 0.00 C ATOM 160 CG TRP A 13 -1.164 -0.840 12.206 1.00 0.00 C ATOM 161 CD1 TRP A 13 -1.881 0.322 12.203 1.00 0.00 C ATOM 162 CD2 TRP A 13 -0.438 -0.862 13.440 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.646 1.023 13.361 1.00 0.00 N ATOM 164 CE2 TRP A 13 -0.765 0.318 14.137 1.00 0.00 C ATOM 165 CE3 TRP A 13 0.453 -1.764 14.026 1.00 0.00 C ATOM 166 CZ2 TRP A 13 -0.230 0.617 15.387 1.00 0.00 C ATOM 167 CZ3 TRP A 13 0.984 -1.467 15.267 1.00 0.00 C ATOM 168 CH2 TRP A 13 0.641 -0.285 15.937 1.00 0.00 C ATOM 0 H TRP A 13 -1.527 -0.263 9.315 1.00 0.00 H new ATOM 0 HA TRP A 13 0.824 -1.257 10.513 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.123 -1.947 10.671 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.934 -2.855 11.583 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.537 0.643 11.407 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.061 1.923 13.603 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.722 -2.678 13.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.493 1.528 15.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.675 -2.157 15.728 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.072 -0.082 16.906 1.00 0.00 H new ATOM 179 N VAL A 14 1.497 -3.129 9.026 1.00 0.00 N ATOM 180 CA VAL A 14 1.926 -4.323 8.308 1.00 0.00 C ATOM 181 C VAL A 14 2.967 -5.101 9.106 1.00 0.00 C ATOM 182 O VAL A 14 4.036 -4.580 9.424 1.00 0.00 O ATOM 183 CB VAL A 14 2.513 -3.968 6.929 1.00 0.00 C ATOM 184 CG1 VAL A 14 3.022 -5.218 6.227 1.00 0.00 C ATOM 185 CG2 VAL A 14 1.475 -3.253 6.077 1.00 0.00 C ATOM 0 H VAL A 14 2.257 -2.507 9.303 1.00 0.00 H new ATOM 0 HA VAL A 14 1.041 -4.944 8.169 1.00 0.00 H new ATOM 0 HB VAL A 14 3.357 -3.294 7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.433 -4.947 5.254 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.799 -5.684 6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.199 -5.919 6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.906 -3.009 5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.610 -3.901 5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.164 -2.335 6.576 1.00 0.00 H new ATOM 195 N ASP A 15 2.647 -6.350 9.425 1.00 0.00 N ATOM 196 CA ASP A 15 3.555 -7.201 10.185 1.00 0.00 C ATOM 197 C ASP A 15 3.660 -6.729 11.632 1.00 0.00 C ATOM 198 O ASP A 15 4.677 -6.938 12.292 1.00 0.00 O ATOM 199 CB ASP A 15 4.941 -7.211 9.538 1.00 0.00 C ATOM 200 CG ASP A 15 5.765 -8.414 9.952 1.00 0.00 C ATOM 201 OD1 ASP A 15 5.617 -9.480 9.319 1.00 0.00 O ATOM 202 OD2 ASP A 15 6.557 -8.290 10.909 1.00 0.00 O ATOM 0 H ASP A 15 1.766 -6.796 9.169 1.00 0.00 H new ATOM 0 HA ASP A 15 3.152 -8.214 10.180 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.832 -7.205 8.453 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.472 -6.299 9.810 1.00 0.00 H new ATOM 207 N GLY A 16 2.601 -6.089 12.119 1.00 0.00 N ATOM 208 CA GLY A 16 2.594 -5.596 13.483 1.00 0.00 C ATOM 209 C GLY A 16 3.241 -4.231 13.610 1.00 0.00 C ATOM 210 O GLY A 16 3.205 -3.615 14.675 1.00 0.00 O ATOM 0 H GLY A 16 1.747 -5.903 11.592 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.566 -5.542 13.841 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.118 -6.304 14.125 1.00 0.00 H new ATOM 214 N VAL A 17 3.836 -3.756 12.520 1.00 0.00 N ATOM 215 CA VAL A 17 4.494 -2.455 12.513 1.00 0.00 C ATOM 216 C VAL A 17 4.106 -1.649 11.278 1.00 0.00 C ATOM 217 O VAL A 17 4.265 -2.111 10.149 1.00 0.00 O ATOM 218 CB VAL A 17 6.027 -2.602 12.556 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.523 -3.385 11.350 1.00 0.00 C ATOM 220 CG2 VAL A 17 6.690 -1.234 12.624 1.00 0.00 C ATOM 0 H VAL A 17 3.876 -4.253 11.630 1.00 0.00 H new ATOM 0 HA VAL A 17 4.161 -1.927 13.407 1.00 0.00 H new ATOM 0 HB VAL A 17 6.297 -3.157 13.454 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.608 -3.478 11.398 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.073 -4.378 11.351 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.244 -2.861 10.436 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.773 -1.356 12.654 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.414 -0.652 11.745 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.359 -0.713 13.522 1.00 0.00 H new ATOM 230 N GLN A 18 3.596 -0.443 11.502 1.00 0.00 N ATOM 231 CA GLN A 18 3.185 0.428 10.407 1.00 0.00 C ATOM 232 C GLN A 18 4.313 0.598 9.394 1.00 0.00 C ATOM 233 O GLN A 18 5.457 0.861 9.763 1.00 0.00 O ATOM 234 CB GLN A 18 2.758 1.794 10.946 1.00 0.00 C ATOM 235 CG GLN A 18 3.891 2.807 11.004 1.00 0.00 C ATOM 236 CD GLN A 18 3.595 3.959 11.944 1.00 0.00 C ATOM 237 OE1 GLN A 18 4.508 4.595 12.471 1.00 0.00 O ATOM 238 NE2 GLN A 18 2.314 4.236 12.157 1.00 0.00 N ATOM 0 H GLN A 18 3.457 -0.046 12.431 1.00 0.00 H new ATOM 0 HA GLN A 18 2.337 -0.038 9.905 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.960 2.190 10.318 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.344 1.667 11.946 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.805 2.307 11.325 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.076 3.198 10.003 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.590 3.683 11.699 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.054 5.002 12.778 1.00 0.00 H new ATOM 247 N ARG A 19 3.981 0.445 8.116 1.00 0.00 N ATOM 248 CA ARG A 19 4.967 0.580 7.050 1.00 0.00 C ATOM 249 C ARG A 19 4.552 1.664 6.060 1.00 0.00 C ATOM 250 O ARG A 19 3.579 1.506 5.322 1.00 0.00 O ATOM 251 CB ARG A 19 5.144 -0.752 6.319 1.00 0.00 C ATOM 252 CG ARG A 19 5.636 -1.878 7.214 1.00 0.00 C ATOM 253 CD ARG A 19 7.153 -1.886 7.315 1.00 0.00 C ATOM 254 NE ARG A 19 7.639 -0.952 8.328 1.00 0.00 N ATOM 255 CZ ARG A 19 8.927 -0.716 8.552 1.00 0.00 C ATOM 256 NH1 ARG A 19 9.853 -1.341 7.839 1.00 0.00 N ATOM 257 NH2 ARG A 19 9.291 0.148 9.492 1.00 0.00 N ATOM 0 H ARG A 19 3.038 0.228 7.794 1.00 0.00 H new ATOM 0 HA ARG A 19 5.916 0.868 7.501 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.192 -1.042 5.875 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.850 -0.616 5.500 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.204 -1.769 8.209 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.291 -2.834 6.820 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.495 -2.893 7.556 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.582 -1.627 6.347 1.00 0.00 H new ATOM 0 HE ARG A 19 6.952 -0.454 8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.578 -2.005 7.116 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.841 -1.158 8.013 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.581 0.631 10.043 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.280 0.329 9.663 1.00 0.00 H new ATOM 271 N ILE A 20 5.295 2.766 6.052 1.00 0.00 N ATOM 272 CA ILE A 20 5.005 3.876 5.153 1.00 0.00 C ATOM 273 C ILE A 20 5.546 3.606 3.753 1.00 0.00 C ATOM 274 O ILE A 20 6.639 3.063 3.592 1.00 0.00 O ATOM 275 CB ILE A 20 5.602 5.195 5.676 1.00 0.00 C ATOM 276 CG1 ILE A 20 4.857 5.656 6.930 1.00 0.00 C ATOM 277 CG2 ILE A 20 5.547 6.266 4.597 1.00 0.00 C ATOM 278 CD1 ILE A 20 5.518 6.821 7.633 1.00 0.00 C ATOM 0 H ILE A 20 6.102 2.914 6.658 1.00 0.00 H new ATOM 0 HA ILE A 20 3.920 3.970 5.109 1.00 0.00 H new ATOM 0 HB ILE A 20 6.646 5.025 5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.840 5.937 6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.780 4.820 7.625 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.973 7.193 4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.118 5.937 3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.510 6.436 4.306 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.935 7.094 8.513 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.525 6.538 7.939 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.571 7.673 6.955 1.00 0.00 H new ATOM 290 N VAL A 21 4.773 3.990 2.742 1.00 0.00 N ATOM 291 CA VAL A 21 5.176 3.792 1.354 1.00 0.00 C ATOM 292 C VAL A 21 5.372 5.126 0.643 1.00 0.00 C ATOM 293 O VAL A 21 4.420 5.882 0.446 1.00 0.00 O ATOM 294 CB VAL A 21 4.136 2.959 0.581 1.00 0.00 C ATOM 295 CG1 VAL A 21 4.475 2.923 -0.901 1.00 0.00 C ATOM 296 CG2 VAL A 21 4.052 1.551 1.151 1.00 0.00 C ATOM 0 H VAL A 21 3.865 4.440 2.858 1.00 0.00 H new ATOM 0 HA VAL A 21 6.122 3.251 1.373 1.00 0.00 H new ATOM 0 HB VAL A 21 3.160 3.432 0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.729 2.330 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.480 3.938 -1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.459 2.475 -1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.313 0.976 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.025 1.067 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.758 1.600 2.199 1.00 0.00 H new ATOM 306 N CYS A 22 6.612 5.410 0.260 1.00 0.00 N ATOM 307 CA CYS A 22 6.934 6.654 -0.429 1.00 0.00 C ATOM 308 C CYS A 22 6.848 6.475 -1.941 1.00 0.00 C ATOM 309 O CYS A 22 7.498 5.600 -2.511 1.00 0.00 O ATOM 310 CB CYS A 22 8.333 7.131 -0.038 1.00 0.00 C ATOM 311 SG CYS A 22 9.659 5.995 -0.509 1.00 0.00 S ATOM 0 H CYS A 22 7.411 4.795 0.415 1.00 0.00 H new ATOM 0 HA CYS A 22 6.205 7.407 -0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.518 8.100 -0.502 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.365 7.283 1.041 1.00 0.00 H new ATOM 0 HG CYS A 22 9.265 5.258 -1.505 1.00 0.00 H new ATOM 317 N GLY A 23 6.040 7.311 -2.586 1.00 0.00 N ATOM 318 CA GLY A 23 5.883 7.228 -4.027 1.00 0.00 C ATOM 319 C GLY A 23 4.432 7.091 -4.444 1.00 0.00 C ATOM 320 O GLY A 23 4.055 7.490 -5.546 1.00 0.00 O ATOM 0 H GLY A 23 5.491 8.044 -2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.308 8.120 -4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.448 6.375 -4.403 1.00 0.00 H new ATOM 324 N VAL A 24 3.615 6.522 -3.563 1.00 0.00 N ATOM 325 CA VAL A 24 2.198 6.331 -3.846 1.00 0.00 C ATOM 326 C VAL A 24 1.524 7.655 -4.191 1.00 0.00 C ATOM 327 O VAL A 24 1.822 8.691 -3.595 1.00 0.00 O ATOM 328 CB VAL A 24 1.468 5.692 -2.651 1.00 0.00 C ATOM 329 CG1 VAL A 24 1.764 6.459 -1.371 1.00 0.00 C ATOM 330 CG2 VAL A 24 -0.030 5.632 -2.912 1.00 0.00 C ATOM 0 H VAL A 24 3.911 6.185 -2.647 1.00 0.00 H new ATOM 0 HA VAL A 24 2.134 5.659 -4.702 1.00 0.00 H new ATOM 0 HB VAL A 24 1.834 4.673 -2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.239 5.992 -0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.837 6.445 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.429 7.490 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.530 5.177 -2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.414 6.641 -3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.220 5.035 -3.804 1.00 0.00 H new ATOM 340 N THR A 25 0.612 7.615 -5.157 1.00 0.00 N ATOM 341 CA THR A 25 -0.105 8.810 -5.582 1.00 0.00 C ATOM 342 C THR A 25 -1.605 8.552 -5.665 1.00 0.00 C ATOM 343 O THR A 25 -2.070 7.449 -5.380 1.00 0.00 O ATOM 344 CB THR A 25 0.395 9.308 -6.951 1.00 0.00 C ATOM 345 OG1 THR A 25 0.396 8.230 -7.894 1.00 0.00 O ATOM 346 CG2 THR A 25 1.796 9.890 -6.837 1.00 0.00 C ATOM 0 H THR A 25 0.352 6.767 -5.660 1.00 0.00 H new ATOM 0 HA THR A 25 0.088 9.577 -4.832 1.00 0.00 H new ATOM 0 HB THR A 25 -0.280 10.092 -7.296 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.714 8.555 -8.762 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.128 10.235 -7.816 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.786 10.729 -6.141 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.480 9.124 -6.472 1.00 0.00 H new ATOM 354 N GLU A 26 -2.357 9.576 -6.056 1.00 0.00 N ATOM 355 CA GLU A 26 -3.805 9.458 -6.176 1.00 0.00 C ATOM 356 C GLU A 26 -4.181 8.363 -7.169 1.00 0.00 C ATOM 357 O GLU A 26 -5.058 7.541 -6.902 1.00 0.00 O ATOM 358 CB GLU A 26 -4.413 10.792 -6.615 1.00 0.00 C ATOM 359 CG GLU A 26 -4.205 11.915 -5.613 1.00 0.00 C ATOM 360 CD GLU A 26 -5.240 13.015 -5.747 1.00 0.00 C ATOM 361 OE1 GLU A 26 -6.354 12.850 -5.207 1.00 0.00 O ATOM 362 OE2 GLU A 26 -4.937 14.040 -6.392 1.00 0.00 O ATOM 0 H GLU A 26 -1.987 10.496 -6.295 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.205 9.190 -5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.977 11.084 -7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.482 10.657 -6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.242 11.507 -4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.210 12.339 -5.749 1.00 0.00 H new ATOM 369 N VAL A 27 -3.513 8.359 -8.318 1.00 0.00 N ATOM 370 CA VAL A 27 -3.776 7.366 -9.353 1.00 0.00 C ATOM 371 C VAL A 27 -3.598 5.951 -8.814 1.00 0.00 C ATOM 372 O VAL A 27 -4.354 5.043 -9.160 1.00 0.00 O ATOM 373 CB VAL A 27 -2.848 7.561 -10.567 1.00 0.00 C ATOM 374 CG1 VAL A 27 -3.128 6.507 -11.627 1.00 0.00 C ATOM 375 CG2 VAL A 27 -3.009 8.961 -11.140 1.00 0.00 C ATOM 0 H VAL A 27 -2.785 9.033 -8.556 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.810 7.505 -9.669 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.816 7.445 -10.237 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.463 6.660 -12.477 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.958 5.515 -11.208 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.164 6.589 -11.957 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.346 9.082 -11.997 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.042 9.108 -11.456 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.755 9.698 -10.378 1.00 0.00 H new ATOM 385 N THR A 28 -2.594 5.770 -7.962 1.00 0.00 N ATOM 386 CA THR A 28 -2.316 4.465 -7.374 1.00 0.00 C ATOM 387 C THR A 28 -3.559 3.885 -6.711 1.00 0.00 C ATOM 388 O THR A 28 -4.185 4.529 -5.869 1.00 0.00 O ATOM 389 CB THR A 28 -1.184 4.548 -6.333 1.00 0.00 C ATOM 390 OG1 THR A 28 0.023 5.003 -6.956 1.00 0.00 O ATOM 391 CG2 THR A 28 -0.945 3.192 -5.685 1.00 0.00 C ATOM 0 H THR A 28 -1.960 6.511 -7.664 1.00 0.00 H new ATOM 0 HA THR A 28 -2.004 3.811 -8.188 1.00 0.00 H new ATOM 0 HB THR A 28 -1.483 5.256 -5.560 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.771 4.904 -6.331 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.141 3.275 -4.953 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.856 2.861 -5.187 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.666 2.467 -6.450 1.00 0.00 H new ATOM 399 N THR A 29 -3.913 2.662 -7.095 1.00 0.00 N ATOM 400 CA THR A 29 -5.083 1.994 -6.538 1.00 0.00 C ATOM 401 C THR A 29 -4.743 1.292 -5.228 1.00 0.00 C ATOM 402 O THR A 29 -3.571 1.107 -4.898 1.00 0.00 O ATOM 403 CB THR A 29 -5.665 0.964 -7.524 1.00 0.00 C ATOM 404 OG1 THR A 29 -4.779 -0.155 -7.642 1.00 0.00 O ATOM 405 CG2 THR A 29 -5.885 1.589 -8.893 1.00 0.00 C ATOM 0 H THR A 29 -3.406 2.114 -7.790 1.00 0.00 H new ATOM 0 HA THR A 29 -5.829 2.767 -6.350 1.00 0.00 H new ATOM 0 HB THR A 29 -6.627 0.627 -7.138 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.157 -0.806 -8.269 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.296 0.842 -9.572 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.582 2.422 -8.805 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.934 1.951 -9.285 1.00 0.00 H new ATOM 413 N CYS A 30 -5.774 0.903 -4.487 1.00 0.00 N ATOM 414 CA CYS A 30 -5.584 0.220 -3.212 1.00 0.00 C ATOM 415 C CYS A 30 -4.761 -1.052 -3.393 1.00 0.00 C ATOM 416 O CYS A 30 -4.026 -1.460 -2.495 1.00 0.00 O ATOM 417 CB CYS A 30 -6.937 -0.118 -2.584 1.00 0.00 C ATOM 418 SG CYS A 30 -7.599 1.180 -1.514 1.00 0.00 S ATOM 0 H CYS A 30 -6.750 1.049 -4.746 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.040 0.891 -2.547 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.655 -0.319 -3.379 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.837 -1.036 -2.005 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.746 0.802 -1.032 1.00 0.00 H new ATOM 424 N GLN A 31 -4.893 -1.674 -4.561 1.00 0.00 N ATOM 425 CA GLN A 31 -4.164 -2.901 -4.858 1.00 0.00 C ATOM 426 C GLN A 31 -2.670 -2.625 -5.002 1.00 0.00 C ATOM 427 O GLN A 31 -1.858 -3.142 -4.236 1.00 0.00 O ATOM 428 CB GLN A 31 -4.702 -3.541 -6.139 1.00 0.00 C ATOM 429 CG GLN A 31 -3.952 -4.797 -6.552 1.00 0.00 C ATOM 430 CD GLN A 31 -4.461 -6.039 -5.847 1.00 0.00 C ATOM 431 OE1 GLN A 31 -4.220 -6.232 -4.655 1.00 0.00 O ATOM 432 NE2 GLN A 31 -5.170 -6.889 -6.580 1.00 0.00 N ATOM 0 H GLN A 31 -5.497 -1.348 -5.316 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.309 -3.591 -4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.755 -3.786 -5.999 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.649 -2.813 -6.949 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.043 -4.932 -7.630 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.891 -4.670 -6.336 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.346 -6.690 -7.565 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.539 -7.741 -6.158 1.00 0.00 H new ATOM 441 N GLU A 32 -2.317 -1.808 -5.989 1.00 0.00 N ATOM 442 CA GLU A 32 -0.921 -1.465 -6.233 1.00 0.00 C ATOM 443 C GLU A 32 -0.189 -1.198 -4.921 1.00 0.00 C ATOM 444 O GLU A 32 1.028 -1.366 -4.831 1.00 0.00 O ATOM 445 CB GLU A 32 -0.825 -0.238 -7.142 1.00 0.00 C ATOM 446 CG GLU A 32 -1.014 -0.556 -8.616 1.00 0.00 C ATOM 447 CD GLU A 32 0.043 -1.504 -9.148 1.00 0.00 C ATOM 448 OE1 GLU A 32 1.166 -1.507 -8.603 1.00 0.00 O ATOM 449 OE2 GLU A 32 -0.254 -2.242 -10.111 1.00 0.00 O ATOM 0 H GLU A 32 -2.978 -1.372 -6.632 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.447 -2.313 -6.728 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.577 0.490 -6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.149 0.232 -7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.000 -0.996 -8.765 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.988 0.370 -9.190 1.00 0.00 H new ATOM 456 N VAL A 33 -0.939 -0.781 -3.906 1.00 0.00 N ATOM 457 CA VAL A 33 -0.362 -0.491 -2.599 1.00 0.00 C ATOM 458 C VAL A 33 -0.014 -1.775 -1.854 1.00 0.00 C ATOM 459 O VAL A 33 1.157 -2.125 -1.712 1.00 0.00 O ATOM 460 CB VAL A 33 -1.324 0.346 -1.734 1.00 0.00 C ATOM 461 CG1 VAL A 33 -0.708 0.633 -0.374 1.00 0.00 C ATOM 462 CG2 VAL A 33 -1.692 1.639 -2.446 1.00 0.00 C ATOM 0 H VAL A 33 -1.947 -0.637 -3.964 1.00 0.00 H new ATOM 0 HA VAL A 33 0.549 0.081 -2.775 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.237 -0.228 -1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.402 1.225 0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.501 -0.307 0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.221 1.187 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.372 2.218 -1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.789 2.220 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.179 1.407 -3.393 1.00 0.00 H new ATOM 472 N VAL A 34 -1.041 -2.475 -1.381 1.00 0.00 N ATOM 473 CA VAL A 34 -0.844 -3.723 -0.652 1.00 0.00 C ATOM 474 C VAL A 34 0.195 -4.602 -1.338 1.00 0.00 C ATOM 475 O VAL A 34 1.020 -5.235 -0.679 1.00 0.00 O ATOM 476 CB VAL A 34 -2.162 -4.510 -0.522 1.00 0.00 C ATOM 477 CG1 VAL A 34 -3.246 -3.638 0.092 1.00 0.00 C ATOM 478 CG2 VAL A 34 -2.599 -5.044 -1.878 1.00 0.00 C ATOM 0 H VAL A 34 -2.017 -2.199 -1.490 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.489 -3.456 0.343 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.995 -5.359 0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.170 -4.211 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.931 -3.310 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.415 -2.768 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.532 -5.597 -1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.750 -4.212 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.829 -5.706 -2.274 1.00 0.00 H new ATOM 488 N ILE A 35 0.149 -4.637 -2.666 1.00 0.00 N ATOM 489 CA ILE A 35 1.088 -5.437 -3.441 1.00 0.00 C ATOM 490 C ILE A 35 2.527 -5.159 -3.020 1.00 0.00 C ATOM 491 O ILE A 35 3.303 -6.082 -2.777 1.00 0.00 O ATOM 492 CB ILE A 35 0.946 -5.167 -4.951 1.00 0.00 C ATOM 493 CG1 ILE A 35 -0.325 -5.826 -5.491 1.00 0.00 C ATOM 494 CG2 ILE A 35 2.170 -5.675 -5.698 1.00 0.00 C ATOM 495 CD1 ILE A 35 -0.625 -5.471 -6.930 1.00 0.00 C ATOM 0 H ILE A 35 -0.529 -4.121 -3.227 1.00 0.00 H new ATOM 0 HA ILE A 35 0.849 -6.482 -3.243 1.00 0.00 H new ATOM 0 HB ILE A 35 0.870 -4.091 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.228 -6.908 -5.405 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.170 -5.531 -4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.054 -5.477 -6.764 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.059 -5.165 -5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.275 -6.748 -5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.539 -5.973 -7.246 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.754 -4.392 -7.019 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.202 -5.791 -7.564 1.00 0.00 H new ATOM 507 N ALA A 36 2.875 -3.879 -2.934 1.00 0.00 N ATOM 508 CA ALA A 36 4.220 -3.478 -2.539 1.00 0.00 C ATOM 509 C ALA A 36 4.615 -4.117 -1.211 1.00 0.00 C ATOM 510 O ALA A 36 5.683 -4.718 -1.094 1.00 0.00 O ATOM 511 CB ALA A 36 4.312 -1.962 -2.446 1.00 0.00 C ATOM 0 H ALA A 36 2.244 -3.102 -3.132 1.00 0.00 H new ATOM 0 HA ALA A 36 4.916 -3.827 -3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.321 -1.676 -2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.080 -1.523 -3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.600 -1.599 -1.705 1.00 0.00 H new ATOM 517 N LEU A 37 3.747 -3.983 -0.214 1.00 0.00 N ATOM 518 CA LEU A 37 4.006 -4.546 1.106 1.00 0.00 C ATOM 519 C LEU A 37 4.185 -6.059 1.027 1.00 0.00 C ATOM 520 O LEU A 37 5.196 -6.599 1.474 1.00 0.00 O ATOM 521 CB LEU A 37 2.860 -4.206 2.061 1.00 0.00 C ATOM 522 CG LEU A 37 2.853 -2.783 2.621 1.00 0.00 C ATOM 523 CD1 LEU A 37 4.033 -2.572 3.556 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.878 -1.765 1.490 1.00 0.00 C ATOM 0 H LEU A 37 2.858 -3.489 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 37 4.929 -4.109 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.917 -4.375 1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.891 -4.904 2.898 1.00 0.00 H new ATOM 0 HG LEU A 37 1.934 -2.641 3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.012 -1.554 3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.972 -3.278 4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.963 -2.733 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.873 -0.758 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.779 -1.906 0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.000 -1.901 0.859 1.00 0.00 H new ATOM 536 N ALA A 38 3.196 -6.737 0.452 1.00 0.00 N ATOM 537 CA ALA A 38 3.246 -8.187 0.310 1.00 0.00 C ATOM 538 C ALA A 38 4.570 -8.633 -0.300 1.00 0.00 C ATOM 539 O ALA A 38 5.137 -9.650 0.100 1.00 0.00 O ATOM 540 CB ALA A 38 2.081 -8.675 -0.537 1.00 0.00 C ATOM 0 H ALA A 38 2.351 -6.305 0.077 1.00 0.00 H new ATOM 0 HA ALA A 38 3.167 -8.628 1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.131 -9.759 -0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.142 -8.397 -0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.134 -8.219 -1.526 1.00 0.00 H new ATOM 546 N GLN A 39 5.057 -7.867 -1.271 1.00 0.00 N ATOM 547 CA GLN A 39 6.314 -8.186 -1.938 1.00 0.00 C ATOM 548 C GLN A 39 7.503 -7.865 -1.039 1.00 0.00 C ATOM 549 O GLN A 39 8.605 -8.374 -1.245 1.00 0.00 O ATOM 550 CB GLN A 39 6.429 -7.412 -3.252 1.00 0.00 C ATOM 551 CG GLN A 39 5.473 -7.896 -4.330 1.00 0.00 C ATOM 552 CD GLN A 39 5.953 -7.565 -5.729 1.00 0.00 C ATOM 553 OE1 GLN A 39 6.743 -8.304 -6.318 1.00 0.00 O ATOM 554 NE2 GLN A 39 5.478 -6.449 -6.269 1.00 0.00 N ATOM 0 H GLN A 39 4.600 -7.021 -1.613 1.00 0.00 H new ATOM 0 HA GLN A 39 6.322 -9.255 -2.153 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.241 -6.356 -3.059 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.451 -7.491 -3.622 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.346 -8.975 -4.240 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.493 -7.445 -4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.825 -5.866 -5.745 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.766 -6.174 -7.208 1.00 0.00 H new ATOM 563 N ALA A 40 7.273 -7.018 -0.041 1.00 0.00 N ATOM 564 CA ALA A 40 8.325 -6.631 0.890 1.00 0.00 C ATOM 565 C ALA A 40 8.465 -7.650 2.016 1.00 0.00 C ATOM 566 O ALA A 40 9.576 -8.033 2.385 1.00 0.00 O ATOM 567 CB ALA A 40 8.043 -5.248 1.460 1.00 0.00 C ATOM 0 H ALA A 40 6.367 -6.587 0.143 1.00 0.00 H new ATOM 0 HA ALA A 40 9.267 -6.602 0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.837 -4.972 2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.001 -4.522 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.089 -5.259 1.986 1.00 0.00 H new ATOM 573 N ILE A 41 7.333 -8.086 2.557 1.00 0.00 N ATOM 574 CA ILE A 41 7.330 -9.062 3.640 1.00 0.00 C ATOM 575 C ILE A 41 7.656 -10.458 3.122 1.00 0.00 C ATOM 576 O ILE A 41 7.971 -11.361 3.896 1.00 0.00 O ATOM 577 CB ILE A 41 5.970 -9.098 4.362 1.00 0.00 C ATOM 578 CG1 ILE A 41 4.850 -9.423 3.370 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.702 -7.770 5.055 1.00 0.00 C ATOM 580 CD1 ILE A 41 3.482 -9.503 4.009 1.00 0.00 C ATOM 0 H ILE A 41 6.406 -7.779 2.263 1.00 0.00 H new ATOM 0 HA ILE A 41 8.099 -8.751 4.347 1.00 0.00 H new ATOM 0 HB ILE A 41 5.998 -9.881 5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.834 -8.662 2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.071 -10.373 2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.737 -7.812 5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.487 -7.576 5.786 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.690 -6.970 4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.738 -9.736 3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.481 -10.284 4.769 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.240 -8.546 4.472 1.00 0.00 H new ATOM 592 N GLY A 42 7.578 -10.629 1.806 1.00 0.00 N ATOM 593 CA GLY A 42 7.870 -11.918 1.206 1.00 0.00 C ATOM 594 C GLY A 42 6.614 -12.675 0.821 1.00 0.00 C ATOM 595 O GLY A 42 6.548 -13.278 -0.250 1.00 0.00 O ATOM 0 H GLY A 42 7.318 -9.898 1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.488 -11.772 0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.452 -12.518 1.906 1.00 0.00 H new ATOM 599 N ARG A 43 5.615 -12.646 1.698 1.00 0.00 N ATOM 600 CA ARG A 43 4.357 -13.337 1.445 1.00 0.00 C ATOM 601 C ARG A 43 4.007 -13.305 -0.040 1.00 0.00 C ATOM 602 O ARG A 43 3.920 -14.346 -0.692 1.00 0.00 O ATOM 603 CB ARG A 43 3.229 -12.701 2.259 1.00 0.00 C ATOM 604 CG ARG A 43 3.476 -12.717 3.759 1.00 0.00 C ATOM 605 CD ARG A 43 2.991 -14.013 4.390 1.00 0.00 C ATOM 606 NE ARG A 43 3.897 -15.126 4.120 1.00 0.00 N ATOM 607 CZ ARG A 43 3.629 -16.387 4.441 1.00 0.00 C ATOM 608 NH1 ARG A 43 2.487 -16.693 5.040 1.00 0.00 N ATOM 609 NH2 ARG A 43 4.504 -17.344 4.163 1.00 0.00 N ATOM 0 H ARG A 43 5.653 -12.151 2.589 1.00 0.00 H new ATOM 0 HA ARG A 43 4.475 -14.377 1.750 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.094 -11.670 1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.298 -13.227 2.047 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.541 -12.592 3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.966 -11.872 4.222 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.894 -13.878 5.467 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.999 -14.253 4.008 1.00 0.00 H new ATOM 0 HE ARG A 43 4.785 -14.924 3.660 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.812 -15.960 5.255 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.283 -17.662 5.285 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.384 -17.112 3.702 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.297 -18.312 4.410 1.00 0.00 H new ATOM 623 N THR A 44 3.807 -12.102 -0.570 1.00 0.00 N ATOM 624 CA THR A 44 3.466 -11.934 -1.976 1.00 0.00 C ATOM 625 C THR A 44 2.111 -12.557 -2.292 1.00 0.00 C ATOM 626 O THR A 44 1.983 -13.348 -3.225 1.00 0.00 O ATOM 627 CB THR A 44 4.533 -12.561 -2.893 1.00 0.00 C ATOM 628 OG1 THR A 44 5.842 -12.205 -2.436 1.00 0.00 O ATOM 629 CG2 THR A 44 4.349 -12.102 -4.331 1.00 0.00 C ATOM 0 H THR A 44 3.876 -11.230 -0.046 1.00 0.00 H new ATOM 0 HA THR A 44 3.422 -10.861 -2.163 1.00 0.00 H new ATOM 0 HB THR A 44 4.419 -13.644 -2.858 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.177 -12.898 -1.830 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.114 -12.558 -4.959 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.363 -12.402 -4.685 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.438 -11.017 -4.381 1.00 0.00 H new ATOM 637 N GLY A 45 1.101 -12.195 -1.507 1.00 0.00 N ATOM 638 CA GLY A 45 -0.232 -12.729 -1.719 1.00 0.00 C ATOM 639 C GLY A 45 -1.286 -11.643 -1.795 1.00 0.00 C ATOM 640 O GLY A 45 -0.983 -10.461 -1.627 1.00 0.00 O ATOM 0 H GLY A 45 1.182 -11.542 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.245 -13.309 -2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.479 -13.414 -0.908 1.00 0.00 H new ATOM 644 N ARG A 46 -2.528 -12.042 -2.049 1.00 0.00 N ATOM 645 CA ARG A 46 -3.630 -11.093 -2.150 1.00 0.00 C ATOM 646 C ARG A 46 -3.986 -10.526 -0.779 1.00 0.00 C ATOM 647 O ARG A 46 -4.157 -11.270 0.187 1.00 0.00 O ATOM 648 CB ARG A 46 -4.857 -11.767 -2.768 1.00 0.00 C ATOM 649 CG ARG A 46 -5.326 -12.996 -2.006 1.00 0.00 C ATOM 650 CD ARG A 46 -6.126 -13.932 -2.898 1.00 0.00 C ATOM 651 NE ARG A 46 -6.487 -15.168 -2.209 1.00 0.00 N ATOM 652 CZ ARG A 46 -7.109 -16.183 -2.798 1.00 0.00 C ATOM 653 NH1 ARG A 46 -7.437 -16.109 -4.080 1.00 0.00 N ATOM 654 NH2 ARG A 46 -7.404 -17.275 -2.104 1.00 0.00 N ATOM 0 H ARG A 46 -2.796 -13.016 -2.189 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.312 -10.272 -2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.673 -11.045 -2.814 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.626 -12.053 -3.794 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.464 -13.526 -1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.938 -12.688 -1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.031 -13.427 -3.234 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.544 -14.170 -3.788 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.248 -15.257 -1.221 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.212 -15.271 -4.617 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.915 -16.890 -4.530 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.153 -17.335 -1.117 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.882 -18.054 -2.557 1.00 0.00 H new ATOM 668 N TYR A 47 -4.095 -9.204 -0.701 1.00 0.00 N ATOM 669 CA TYR A 47 -4.427 -8.536 0.552 1.00 0.00 C ATOM 670 C TYR A 47 -5.436 -7.416 0.321 1.00 0.00 C ATOM 671 O TYR A 47 -5.848 -7.157 -0.810 1.00 0.00 O ATOM 672 CB TYR A 47 -3.163 -7.973 1.204 1.00 0.00 C ATOM 673 CG TYR A 47 -2.290 -9.029 1.843 1.00 0.00 C ATOM 674 CD1 TYR A 47 -2.590 -9.538 3.101 1.00 0.00 C ATOM 675 CD2 TYR A 47 -1.164 -9.517 1.191 1.00 0.00 C ATOM 676 CE1 TYR A 47 -1.794 -10.503 3.690 1.00 0.00 C ATOM 677 CE2 TYR A 47 -0.364 -10.482 1.771 1.00 0.00 C ATOM 678 CZ TYR A 47 -0.683 -10.971 3.020 1.00 0.00 C ATOM 679 OH TYR A 47 0.112 -11.932 3.602 1.00 0.00 O ATOM 0 H TYR A 47 -3.958 -8.574 -1.491 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.875 -9.272 1.220 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.582 -7.440 0.451 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.449 -7.243 1.961 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.460 -9.174 3.627 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.910 -9.135 0.213 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.041 -10.888 4.668 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.506 -10.851 1.249 1.00 0.00 H new ATOM 0 HH TYR A 47 0.261 -12.662 2.966 1.00 0.00 H new ATOM 689 N THR A 48 -5.831 -6.752 1.403 1.00 0.00 N ATOM 690 CA THR A 48 -6.792 -5.660 1.321 1.00 0.00 C ATOM 691 C THR A 48 -6.569 -4.646 2.437 1.00 0.00 C ATOM 692 O THR A 48 -5.913 -4.942 3.437 1.00 0.00 O ATOM 693 CB THR A 48 -8.241 -6.179 1.398 1.00 0.00 C ATOM 694 OG1 THR A 48 -9.149 -5.162 0.962 1.00 0.00 O ATOM 695 CG2 THR A 48 -8.589 -6.603 2.817 1.00 0.00 C ATOM 0 H THR A 48 -5.500 -6.952 2.347 1.00 0.00 H new ATOM 0 HA THR A 48 -6.637 -5.176 0.357 1.00 0.00 H new ATOM 0 HB THR A 48 -8.328 -7.047 0.745 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.067 -5.500 1.012 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.616 -6.966 2.847 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.914 -7.398 3.135 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.486 -5.750 3.487 1.00 0.00 H new ATOM 703 N LEU A 49 -7.117 -3.449 2.261 1.00 0.00 N ATOM 704 CA LEU A 49 -6.977 -2.390 3.254 1.00 0.00 C ATOM 705 C LEU A 49 -8.243 -2.263 4.096 1.00 0.00 C ATOM 706 O LEU A 49 -9.350 -2.187 3.562 1.00 0.00 O ATOM 707 CB LEU A 49 -6.672 -1.057 2.568 1.00 0.00 C ATOM 708 CG LEU A 49 -5.358 -0.989 1.789 1.00 0.00 C ATOM 709 CD1 LEU A 49 -5.430 0.085 0.715 1.00 0.00 C ATOM 710 CD2 LEU A 49 -4.192 -0.727 2.731 1.00 0.00 C ATOM 0 H LEU A 49 -7.663 -3.187 1.440 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.148 -2.651 3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.489 -0.828 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.662 -0.274 3.327 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.196 -1.951 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.486 0.119 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.240 -0.146 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.616 1.053 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.265 -0.682 2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.347 0.221 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.128 -1.532 3.463 1.00 0.00 H new ATOM 722 N ILE A 50 -8.071 -2.238 5.413 1.00 0.00 N ATOM 723 CA ILE A 50 -9.199 -2.117 6.328 1.00 0.00 C ATOM 724 C ILE A 50 -9.087 -0.854 7.176 1.00 0.00 C ATOM 725 O ILE A 50 -8.001 -0.495 7.630 1.00 0.00 O ATOM 726 CB ILE A 50 -9.303 -3.339 7.260 1.00 0.00 C ATOM 727 CG1 ILE A 50 -9.599 -4.602 6.449 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.379 -3.114 8.312 1.00 0.00 C ATOM 729 CD1 ILE A 50 -9.464 -5.879 7.248 1.00 0.00 C ATOM 0 H ILE A 50 -7.161 -2.300 5.870 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.098 -2.061 5.714 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.348 -3.472 7.769 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.611 -4.538 6.049 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.922 -4.643 5.596 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.440 -3.986 8.963 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.129 -2.235 8.906 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.340 -2.959 7.822 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.688 -6.733 6.609 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.445 -5.966 7.626 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.161 -5.859 8.086 1.00 0.00 H new ATOM 741 N GLU A 51 -10.216 -0.185 7.385 1.00 0.00 N ATOM 742 CA GLU A 51 -10.244 1.037 8.179 1.00 0.00 C ATOM 743 C GLU A 51 -10.716 0.752 9.602 1.00 0.00 C ATOM 744 O GLU A 51 -11.832 0.276 9.815 1.00 0.00 O ATOM 745 CB GLU A 51 -11.157 2.076 7.526 1.00 0.00 C ATOM 746 CG GLU A 51 -10.466 2.911 6.461 1.00 0.00 C ATOM 747 CD GLU A 51 -10.332 2.177 5.141 1.00 0.00 C ATOM 748 OE1 GLU A 51 -11.308 2.173 4.361 1.00 0.00 O ATOM 749 OE2 GLU A 51 -9.250 1.606 4.887 1.00 0.00 O ATOM 0 H GLU A 51 -11.123 -0.469 7.015 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.229 1.433 8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.011 1.567 7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.549 2.739 8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.028 3.832 6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.476 3.198 6.815 1.00 0.00 H new ATOM 756 N LYS A 52 -9.859 1.044 10.574 1.00 0.00 N ATOM 757 CA LYS A 52 -10.186 0.820 11.977 1.00 0.00 C ATOM 758 C LYS A 52 -10.299 2.143 12.727 1.00 0.00 C ATOM 759 O LYS A 52 -9.310 2.857 12.897 1.00 0.00 O ATOM 760 CB LYS A 52 -9.124 -0.063 12.635 1.00 0.00 C ATOM 761 CG LYS A 52 -9.378 -0.324 14.110 1.00 0.00 C ATOM 762 CD LYS A 52 -8.322 -1.240 14.705 1.00 0.00 C ATOM 763 CE LYS A 52 -8.769 -1.813 16.040 1.00 0.00 C ATOM 764 NZ LYS A 52 -7.654 -2.497 16.752 1.00 0.00 N ATOM 0 H LYS A 52 -8.931 1.437 10.416 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.150 0.313 12.023 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.079 -1.016 12.108 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.149 0.410 12.521 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.387 0.622 14.651 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.363 -0.773 14.236 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.112 -2.054 14.011 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.392 -0.687 14.838 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.162 -1.012 16.666 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.583 -2.519 15.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.000 -2.874 17.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.295 -3.278 16.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.887 -1.817 16.930 1.00 0.00 H new ATOM 778 N TRP A 53 -11.508 2.464 13.174 1.00 0.00 N ATOM 779 CA TRP A 53 -11.748 3.701 13.908 1.00 0.00 C ATOM 780 C TRP A 53 -12.915 3.542 14.876 1.00 0.00 C ATOM 781 O TRP A 53 -14.030 3.216 14.470 1.00 0.00 O ATOM 782 CB TRP A 53 -12.029 4.848 12.936 1.00 0.00 C ATOM 783 CG TRP A 53 -12.320 6.149 13.621 1.00 0.00 C ATOM 784 CD1 TRP A 53 -11.410 7.089 14.014 1.00 0.00 C ATOM 785 CD2 TRP A 53 -13.607 6.652 13.994 1.00 0.00 C ATOM 786 NE1 TRP A 53 -12.055 8.147 14.610 1.00 0.00 N ATOM 787 CE2 TRP A 53 -13.403 7.903 14.609 1.00 0.00 C ATOM 788 CE3 TRP A 53 -14.912 6.169 13.867 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -14.456 8.673 15.095 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -15.956 6.934 14.350 1.00 0.00 C ATOM 791 CH2 TRP A 53 -15.724 8.176 14.957 1.00 0.00 C ATOM 0 H TRP A 53 -12.337 1.885 13.041 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.852 3.932 14.484 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -11.169 4.976 12.278 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.876 4.580 12.305 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -10.341 7.012 13.877 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -11.603 8.978 14.991 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -15.101 5.214 13.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -14.279 9.629 15.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -16.968 6.569 14.258 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -16.561 8.752 15.323 1.00 0.00 H new ATOM 802 N ARG A 54 -12.651 3.773 16.158 1.00 0.00 N ATOM 803 CA ARG A 54 -13.680 3.654 17.184 1.00 0.00 C ATOM 804 C ARG A 54 -14.345 2.282 17.130 1.00 0.00 C ATOM 805 O ARG A 54 -15.568 2.171 17.209 1.00 0.00 O ATOM 806 CB ARG A 54 -14.733 4.750 17.010 1.00 0.00 C ATOM 807 CG ARG A 54 -14.409 6.030 17.763 1.00 0.00 C ATOM 808 CD ARG A 54 -14.704 5.892 19.248 1.00 0.00 C ATOM 809 NE ARG A 54 -16.134 5.972 19.533 1.00 0.00 N ATOM 810 CZ ARG A 54 -16.636 6.063 20.759 1.00 0.00 C ATOM 811 NH1 ARG A 54 -15.827 6.086 21.810 1.00 0.00 N ATOM 812 NH2 ARG A 54 -17.949 6.132 20.937 1.00 0.00 N ATOM 0 H ARG A 54 -11.733 4.044 16.511 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.203 3.770 18.157 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.836 4.978 15.949 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.698 4.373 17.350 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.358 6.281 17.621 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.991 6.854 17.350 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.316 4.939 19.607 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.181 6.676 19.796 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.783 5.957 18.747 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.817 6.034 21.677 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.215 6.156 22.751 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.574 6.115 20.131 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.333 6.202 21.879 1.00 0.00 H new ATOM 826 N ASP A 55 -13.531 1.241 16.995 1.00 0.00 N ATOM 827 CA ASP A 55 -14.040 -0.124 16.931 1.00 0.00 C ATOM 828 C ASP A 55 -14.914 -0.321 15.696 1.00 0.00 C ATOM 829 O ASP A 55 -15.975 -0.943 15.765 1.00 0.00 O ATOM 830 CB ASP A 55 -14.838 -0.453 18.193 1.00 0.00 C ATOM 831 CG ASP A 55 -14.906 -1.944 18.463 1.00 0.00 C ATOM 832 OD1 ASP A 55 -13.867 -2.622 18.318 1.00 0.00 O ATOM 833 OD2 ASP A 55 -15.999 -2.432 18.819 1.00 0.00 O ATOM 0 H ASP A 55 -12.516 1.316 16.928 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.188 -0.800 16.863 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -14.383 0.048 19.048 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.849 -0.058 18.093 1.00 0.00 H new ATOM 838 N THR A 56 -14.463 0.215 14.566 1.00 0.00 N ATOM 839 CA THR A 56 -15.204 0.100 13.316 1.00 0.00 C ATOM 840 C THR A 56 -14.318 -0.439 12.199 1.00 0.00 C ATOM 841 O THR A 56 -13.499 0.288 11.639 1.00 0.00 O ATOM 842 CB THR A 56 -15.788 1.458 12.883 1.00 0.00 C ATOM 843 OG1 THR A 56 -16.704 1.936 13.874 1.00 0.00 O ATOM 844 CG2 THR A 56 -16.499 1.339 11.544 1.00 0.00 C ATOM 0 H THR A 56 -13.588 0.733 14.491 1.00 0.00 H new ATOM 0 HA THR A 56 -16.021 -0.598 13.496 1.00 0.00 H new ATOM 0 HB THR A 56 -14.965 2.165 12.778 1.00 0.00 H new ATOM 0 HG1 THR A 56 -16.242 2.557 14.474 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.903 2.310 11.259 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.792 1.003 10.785 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.312 0.618 11.627 1.00 0.00 H new ATOM 852 N GLU A 57 -14.490 -1.718 11.880 1.00 0.00 N ATOM 853 CA GLU A 57 -13.704 -2.354 10.828 1.00 0.00 C ATOM 854 C GLU A 57 -14.481 -2.388 9.515 1.00 0.00 C ATOM 855 O GLU A 57 -15.609 -2.879 9.461 1.00 0.00 O ATOM 856 CB GLU A 57 -13.315 -3.775 11.241 1.00 0.00 C ATOM 857 CG GLU A 57 -12.127 -3.831 12.186 1.00 0.00 C ATOM 858 CD GLU A 57 -11.632 -5.245 12.419 1.00 0.00 C ATOM 859 OE1 GLU A 57 -11.019 -5.819 11.494 1.00 0.00 O ATOM 860 OE2 GLU A 57 -11.858 -5.779 13.525 1.00 0.00 O ATOM 0 H GLU A 57 -15.165 -2.333 12.334 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.798 -1.766 10.679 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.171 -4.253 11.718 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.085 -4.354 10.347 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.315 -3.229 11.779 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.406 -3.386 13.141 1.00 0.00 H new ATOM 867 N ARG A 58 -13.868 -1.864 8.459 1.00 0.00 N ATOM 868 CA ARG A 58 -14.501 -1.832 7.146 1.00 0.00 C ATOM 869 C ARG A 58 -13.527 -2.283 6.061 1.00 0.00 C ATOM 870 O ARG A 58 -12.332 -1.990 6.124 1.00 0.00 O ATOM 871 CB ARG A 58 -15.011 -0.424 6.835 1.00 0.00 C ATOM 872 CG ARG A 58 -15.897 -0.354 5.602 1.00 0.00 C ATOM 873 CD ARG A 58 -17.185 -1.139 5.796 1.00 0.00 C ATOM 874 NE ARG A 58 -18.269 -0.626 4.964 1.00 0.00 N ATOM 875 CZ ARG A 58 -18.841 0.559 5.150 1.00 0.00 C ATOM 876 NH1 ARG A 58 -18.433 1.348 6.134 1.00 0.00 N ATOM 877 NH2 ARG A 58 -19.822 0.956 4.351 1.00 0.00 N ATOM 0 H ARG A 58 -12.934 -1.456 8.487 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.345 -2.521 7.162 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.569 -0.051 7.694 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.158 0.240 6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.134 0.687 5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.356 -0.747 4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.010 -2.188 5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -17.481 -1.096 6.844 1.00 0.00 H new ATOM 0 HE ARG A 58 -18.606 -1.209 4.198 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -17.678 1.046 6.750 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.874 2.257 6.275 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -20.138 0.352 3.593 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -20.260 1.866 4.495 1.00 0.00 H new ATOM 891 N HIS A 59 -14.045 -2.997 5.067 1.00 0.00 N ATOM 892 CA HIS A 59 -13.221 -3.488 3.968 1.00 0.00 C ATOM 893 C HIS A 59 -13.428 -2.645 2.714 1.00 0.00 C ATOM 894 O HIS A 59 -14.548 -2.230 2.411 1.00 0.00 O ATOM 895 CB HIS A 59 -13.548 -4.952 3.672 1.00 0.00 C ATOM 896 CG HIS A 59 -12.929 -5.912 4.641 1.00 0.00 C ATOM 897 ND1 HIS A 59 -12.058 -6.910 4.259 1.00 0.00 N ATOM 898 CD2 HIS A 59 -13.058 -6.021 5.984 1.00 0.00 C ATOM 899 CE1 HIS A 59 -11.679 -7.593 5.325 1.00 0.00 C ATOM 900 NE2 HIS A 59 -12.272 -7.073 6.385 1.00 0.00 N ATOM 0 H HIS A 59 -15.031 -3.249 5.000 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.176 -3.410 4.268 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.630 -5.084 3.684 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.208 -5.195 2.665 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -13.666 -5.397 6.622 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.000 -8.433 5.329 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.164 -7.400 7.345 1.00 0.00 H new ATOM 909 N LEU A 60 -12.344 -2.394 1.990 1.00 0.00 N ATOM 910 CA LEU A 60 -12.406 -1.598 0.769 1.00 0.00 C ATOM 911 C LEU A 60 -12.287 -2.486 -0.466 1.00 0.00 C ATOM 912 O LEU A 60 -12.198 -3.709 -0.357 1.00 0.00 O ATOM 913 CB LEU A 60 -11.296 -0.546 0.764 1.00 0.00 C ATOM 914 CG LEU A 60 -11.354 0.496 1.882 1.00 0.00 C ATOM 915 CD1 LEU A 60 -10.026 1.227 1.998 1.00 0.00 C ATOM 916 CD2 LEU A 60 -12.488 1.480 1.635 1.00 0.00 C ATOM 0 H LEU A 60 -11.411 -2.730 2.227 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.373 -1.096 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.336 -1.059 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.321 -0.025 -0.193 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.546 -0.018 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.085 1.965 2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.235 0.511 2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.804 1.730 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.514 2.214 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.327 1.989 0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.436 0.942 1.603 1.00 0.00 H new ATOM 928 N ALA A 61 -12.283 -1.862 -1.639 1.00 0.00 N ATOM 929 CA ALA A 61 -12.169 -2.595 -2.894 1.00 0.00 C ATOM 930 C ALA A 61 -10.795 -2.394 -3.525 1.00 0.00 C ATOM 931 O ALA A 61 -10.096 -1.418 -3.251 1.00 0.00 O ATOM 932 CB ALA A 61 -13.263 -2.162 -3.859 1.00 0.00 C ATOM 0 H ALA A 61 -12.357 -0.850 -1.747 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.289 -3.657 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.166 -2.717 -4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.239 -2.363 -3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.169 -1.095 -4.060 1.00 0.00 H new ATOM 938 N PRO A 62 -10.397 -3.339 -4.390 1.00 0.00 N ATOM 939 CA PRO A 62 -9.103 -3.287 -5.077 1.00 0.00 C ATOM 940 C PRO A 62 -9.042 -2.172 -6.115 1.00 0.00 C ATOM 941 O PRO A 62 -7.962 -1.792 -6.570 1.00 0.00 O ATOM 942 CB PRO A 62 -9.007 -4.656 -5.756 1.00 0.00 C ATOM 943 CG PRO A 62 -10.421 -5.089 -5.936 1.00 0.00 C ATOM 944 CD PRO A 62 -11.178 -4.529 -4.764 1.00 0.00 C ATOM 0 HA PRO A 62 -8.284 -3.079 -4.389 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.489 -4.588 -6.713 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.451 -5.364 -5.142 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.827 -4.716 -6.877 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.496 -6.176 -5.965 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.202 -4.269 -5.034 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.237 -5.245 -3.944 1.00 0.00 H new ATOM 952 N HIS A 63 -10.207 -1.651 -6.486 1.00 0.00 N ATOM 953 CA HIS A 63 -10.286 -0.578 -7.471 1.00 0.00 C ATOM 954 C HIS A 63 -10.322 0.785 -6.787 1.00 0.00 C ATOM 955 O HIS A 63 -9.944 1.796 -7.378 1.00 0.00 O ATOM 956 CB HIS A 63 -11.524 -0.754 -8.350 1.00 0.00 C ATOM 957 CG HIS A 63 -12.798 -0.876 -7.573 1.00 0.00 C ATOM 958 ND1 HIS A 63 -13.343 -2.090 -7.208 1.00 0.00 N ATOM 959 CD2 HIS A 63 -13.635 0.071 -7.088 1.00 0.00 C ATOM 960 CE1 HIS A 63 -14.461 -1.883 -6.535 1.00 0.00 C ATOM 961 NE2 HIS A 63 -14.660 -0.580 -6.448 1.00 0.00 N ATOM 0 H HIS A 63 -11.109 -1.954 -6.120 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.396 -0.627 -8.098 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -11.602 0.096 -9.028 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.398 -1.644 -8.967 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -13.518 1.140 -7.186 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -15.103 -2.649 -6.126 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -15.448 -0.131 -5.981 1.00 0.00 H new ATOM 970 N GLU A 64 -10.780 0.804 -5.539 1.00 0.00 N ATOM 971 CA GLU A 64 -10.867 2.044 -4.777 1.00 0.00 C ATOM 972 C GLU A 64 -9.476 2.586 -4.460 1.00 0.00 C ATOM 973 O GLU A 64 -8.470 1.912 -4.680 1.00 0.00 O ATOM 974 CB GLU A 64 -11.645 1.817 -3.479 1.00 0.00 C ATOM 975 CG GLU A 64 -13.142 1.663 -3.687 1.00 0.00 C ATOM 976 CD GLU A 64 -13.786 2.916 -4.248 1.00 0.00 C ATOM 977 OE1 GLU A 64 -13.640 3.165 -5.463 1.00 0.00 O ATOM 978 OE2 GLU A 64 -14.436 3.647 -3.472 1.00 0.00 O ATOM 0 H GLU A 64 -11.096 -0.024 -5.035 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.395 2.778 -5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.261 0.924 -2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.464 2.655 -2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.327 0.830 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.613 1.411 -2.737 1.00 0.00 H new ATOM 985 N ASN A 65 -9.428 3.810 -3.943 1.00 0.00 N ATOM 986 CA ASN A 65 -8.161 4.444 -3.597 1.00 0.00 C ATOM 987 C ASN A 65 -8.072 4.697 -2.095 1.00 0.00 C ATOM 988 O ASN A 65 -9.057 5.030 -1.437 1.00 0.00 O ATOM 989 CB ASN A 65 -8.002 5.762 -4.358 1.00 0.00 C ATOM 990 CG ASN A 65 -7.620 5.550 -5.810 1.00 0.00 C ATOM 991 OD1 ASN A 65 -7.344 4.427 -6.232 1.00 0.00 O ATOM 992 ND2 ASN A 65 -7.601 6.630 -6.581 1.00 0.00 N ATOM 0 H ASN A 65 -10.251 4.382 -3.755 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.355 3.768 -3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.936 6.321 -4.309 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.240 6.370 -3.870 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.350 6.549 -7.566 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.837 7.541 -6.188 1.00 0.00 H new ATOM 999 N PRO A 66 -6.862 4.536 -1.539 1.00 0.00 N ATOM 1000 CA PRO A 66 -6.614 4.743 -0.109 1.00 0.00 C ATOM 1001 C PRO A 66 -6.710 6.211 0.289 1.00 0.00 C ATOM 1002 O PRO A 66 -7.409 6.561 1.240 1.00 0.00 O ATOM 1003 CB PRO A 66 -5.184 4.229 0.081 1.00 0.00 C ATOM 1004 CG PRO A 66 -4.548 4.374 -1.259 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.642 4.140 -2.264 1.00 0.00 C ATOM 0 HA PRO A 66 -7.351 4.232 0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.652 4.808 0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.177 3.191 0.412 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.113 5.366 -1.379 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.740 3.654 -1.387 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.497 4.739 -3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.682 3.097 -2.579 1.00 0.00 H new ATOM 1013 N ILE A 67 -6.003 7.066 -0.443 1.00 0.00 N ATOM 1014 CA ILE A 67 -6.011 8.497 -0.166 1.00 0.00 C ATOM 1015 C ILE A 67 -7.435 9.039 -0.114 1.00 0.00 C ATOM 1016 O ILE A 67 -7.863 9.592 0.900 1.00 0.00 O ATOM 1017 CB ILE A 67 -5.214 9.280 -1.226 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -3.776 8.763 -1.299 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -5.232 10.768 -0.910 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -2.985 9.339 -2.453 1.00 0.00 C ATOM 0 H ILE A 67 -5.418 6.792 -1.232 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.538 8.633 0.806 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.684 9.129 -2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.266 8.999 -0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.793 7.677 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.665 11.308 -1.668 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.261 11.126 -0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.783 10.938 0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.975 8.929 -2.443 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.472 9.080 -3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.937 10.424 -2.356 1.00 0.00 H new ATOM 1032 N ILE A 68 -8.165 8.876 -1.212 1.00 0.00 N ATOM 1033 CA ILE A 68 -9.543 9.346 -1.290 1.00 0.00 C ATOM 1034 C ILE A 68 -10.417 8.662 -0.245 1.00 0.00 C ATOM 1035 O ILE A 68 -11.118 9.323 0.522 1.00 0.00 O ATOM 1036 CB ILE A 68 -10.143 9.100 -2.686 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -9.376 9.897 -3.743 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -11.618 9.472 -2.702 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -8.181 9.161 -4.306 1.00 0.00 C ATOM 0 H ILE A 68 -7.825 8.422 -2.060 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.522 10.418 -1.097 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.053 8.040 -2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.054 10.150 -4.558 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.040 10.837 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.028 9.292 -3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.154 8.864 -1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.730 10.526 -2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.686 9.786 -5.049 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.483 8.932 -3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.512 8.234 -4.774 1.00 0.00 H new ATOM 1051 N SER A 69 -10.370 7.334 -0.219 1.00 0.00 N ATOM 1052 CA SER A 69 -11.160 6.559 0.731 1.00 0.00 C ATOM 1053 C SER A 69 -10.984 7.095 2.149 1.00 0.00 C ATOM 1054 O SER A 69 -11.908 7.052 2.961 1.00 0.00 O ATOM 1055 CB SER A 69 -10.757 5.084 0.678 1.00 0.00 C ATOM 1056 OG SER A 69 -11.263 4.459 -0.489 1.00 0.00 O ATOM 0 H SER A 69 -9.793 6.772 -0.845 1.00 0.00 H new ATOM 0 HA SER A 69 -12.210 6.652 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.670 5.000 0.698 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.133 4.569 1.562 1.00 0.00 H new ATOM 0 HG SER A 69 -10.699 4.692 -1.256 1.00 0.00 H new ATOM 1062 N LEU A 70 -9.790 7.601 2.439 1.00 0.00 N ATOM 1063 CA LEU A 70 -9.490 8.146 3.758 1.00 0.00 C ATOM 1064 C LEU A 70 -9.820 9.634 3.820 1.00 0.00 C ATOM 1065 O LEU A 70 -10.206 10.151 4.868 1.00 0.00 O ATOM 1066 CB LEU A 70 -8.016 7.925 4.101 1.00 0.00 C ATOM 1067 CG LEU A 70 -7.663 7.939 5.588 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -6.327 7.253 5.827 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -7.633 9.367 6.116 1.00 0.00 C ATOM 0 H LEU A 70 -9.014 7.645 1.778 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.108 7.624 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.706 6.967 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.428 8.695 3.601 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.433 7.388 6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.093 7.273 6.891 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.383 6.219 5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.546 7.775 5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.380 9.358 7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.885 9.941 5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.613 9.826 5.981 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.668 10.316 2.690 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.952 11.745 2.615 1.00 0.00 C ATOM 1083 C ASN A 71 -11.322 12.059 3.208 1.00 0.00 C ATOM 1084 O ASN A 71 -11.533 13.130 3.778 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.891 12.223 1.163 1.00 0.00 C ATOM 1086 CG ASN A 71 -8.487 12.613 0.741 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -7.546 12.535 1.530 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -8.341 13.035 -0.510 1.00 0.00 N ATOM 0 H ASN A 71 -9.350 9.903 1.813 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.195 12.271 3.196 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.258 11.433 0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.556 13.077 1.036 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.420 13.311 -0.851 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.150 13.083 -1.130 1.00 0.00 H new ATOM 1095 N LYS A 72 -12.250 11.118 3.072 1.00 0.00 N ATOM 1096 CA LYS A 72 -13.599 11.292 3.595 1.00 0.00 C ATOM 1097 C LYS A 72 -13.564 11.735 5.055 1.00 0.00 C ATOM 1098 O LYS A 72 -14.407 12.516 5.496 1.00 0.00 O ATOM 1099 CB LYS A 72 -14.390 9.988 3.466 1.00 0.00 C ATOM 1100 CG LYS A 72 -14.185 9.034 4.630 1.00 0.00 C ATOM 1101 CD LYS A 72 -15.151 7.863 4.568 1.00 0.00 C ATOM 1102 CE LYS A 72 -15.264 7.163 5.914 1.00 0.00 C ATOM 1103 NZ LYS A 72 -15.958 8.010 6.923 1.00 0.00 N ATOM 0 H LYS A 72 -12.092 10.226 2.603 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.091 12.068 3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.451 10.223 3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.101 9.488 2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.160 8.662 4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.321 9.570 5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.134 8.217 4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.815 7.152 3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.807 6.226 5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.268 6.909 6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.446 7.963 7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.983 8.995 6.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.930 7.665 7.057 1.00 0.00 H new ATOM 1117 N TRP A 73 -12.584 11.233 5.797 1.00 0.00 N ATOM 1118 CA TRP A 73 -12.438 11.579 7.206 1.00 0.00 C ATOM 1119 C TRP A 73 -11.932 13.008 7.367 1.00 0.00 C ATOM 1120 O TRP A 73 -12.502 13.797 8.119 1.00 0.00 O ATOM 1121 CB TRP A 73 -11.481 10.605 7.895 1.00 0.00 C ATOM 1122 CG TRP A 73 -11.991 9.196 7.931 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -11.470 8.119 7.274 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -13.124 8.713 8.662 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -12.211 6.995 7.551 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -13.231 7.333 8.401 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -14.057 9.312 9.512 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -14.234 6.545 8.960 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -15.053 8.529 10.066 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -15.134 7.158 9.789 1.00 0.00 C ATOM 0 H TRP A 73 -11.879 10.585 5.447 1.00 0.00 H new ATOM 0 HA TRP A 73 -13.419 11.507 7.675 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.521 10.623 7.378 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.301 10.945 8.915 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.603 8.146 6.631 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.031 6.061 7.183 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.001 10.368 9.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -14.299 5.488 8.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -15.781 8.982 10.723 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -15.923 6.573 10.239 1.00 0.00 H new ATOM 1141 N GLY A 74 -10.858 13.334 6.654 1.00 0.00 N ATOM 1142 CA GLY A 74 -10.293 14.669 6.733 1.00 0.00 C ATOM 1143 C GLY A 74 -9.926 15.061 8.150 1.00 0.00 C ATOM 1144 O GLY A 74 -8.842 14.729 8.631 1.00 0.00 O ATOM 0 H GLY A 74 -10.369 12.698 6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.405 14.722 6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.009 15.387 6.335 1.00 0.00 H new ATOM 1148 N GLN A 75 -10.829 15.770 8.820 1.00 0.00 N ATOM 1149 CA GLN A 75 -10.592 16.209 10.189 1.00 0.00 C ATOM 1150 C GLN A 75 -10.159 15.040 11.069 1.00 0.00 C ATOM 1151 O GLN A 75 -9.292 15.187 11.931 1.00 0.00 O ATOM 1152 CB GLN A 75 -11.853 16.856 10.765 1.00 0.00 C ATOM 1153 CG GLN A 75 -13.077 15.956 10.712 1.00 0.00 C ATOM 1154 CD GLN A 75 -14.316 16.622 11.277 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -14.539 16.620 12.488 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -15.131 17.197 10.401 1.00 0.00 N ATOM 0 H GLN A 75 -11.731 16.052 8.437 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.789 16.945 10.173 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.665 17.139 11.801 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.063 17.774 10.216 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.265 15.665 9.678 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.875 15.041 11.269 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -14.908 17.175 9.406 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.981 17.661 10.723 1.00 0.00 H new ATOM 1165 N TYR A 76 -10.768 13.881 10.846 1.00 0.00 N ATOM 1166 CA TYR A 76 -10.448 12.688 11.620 1.00 0.00 C ATOM 1167 C TYR A 76 -9.837 11.609 10.730 1.00 0.00 C ATOM 1168 O TYR A 76 -10.191 10.435 10.828 1.00 0.00 O ATOM 1169 CB TYR A 76 -11.703 12.148 12.307 1.00 0.00 C ATOM 1170 CG TYR A 76 -11.943 12.736 13.679 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -12.015 14.111 13.864 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -12.099 11.917 14.790 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -12.233 14.653 15.116 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -12.319 12.450 16.045 1.00 0.00 C ATOM 1175 CZ TYR A 76 -12.385 13.819 16.203 1.00 0.00 C ATOM 1176 OH TYR A 76 -12.604 14.354 17.451 1.00 0.00 O ATOM 0 H TYR A 76 -11.486 13.742 10.135 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.717 12.964 12.380 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.568 12.353 11.677 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.621 11.065 12.394 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.899 14.768 13.014 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.047 10.845 14.670 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -12.284 15.724 15.242 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.439 11.799 16.898 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.690 13.631 18.106 1.00 0.00 H new ATOM 1186 N ALA A 77 -8.918 12.018 9.862 1.00 0.00 N ATOM 1187 CA ALA A 77 -8.255 11.088 8.956 1.00 0.00 C ATOM 1188 C ALA A 77 -7.129 10.341 9.664 1.00 0.00 C ATOM 1189 O ALA A 77 -7.120 9.111 9.708 1.00 0.00 O ATOM 1190 CB ALA A 77 -7.717 11.828 7.740 1.00 0.00 C ATOM 0 H ALA A 77 -8.615 12.987 9.767 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.991 10.355 8.625 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.225 11.121 7.072 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.541 12.311 7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.000 12.583 8.062 1.00 0.00 H new ATOM 1196 N SER A 78 -6.181 11.092 10.215 1.00 0.00 N ATOM 1197 CA SER A 78 -5.048 10.500 10.916 1.00 0.00 C ATOM 1198 C SER A 78 -5.522 9.508 11.974 1.00 0.00 C ATOM 1199 O SER A 78 -5.046 8.375 12.036 1.00 0.00 O ATOM 1200 CB SER A 78 -4.199 11.592 11.569 1.00 0.00 C ATOM 1201 OG SER A 78 -4.975 12.383 12.452 1.00 0.00 O ATOM 0 H SER A 78 -6.175 12.112 10.189 1.00 0.00 H new ATOM 0 HA SER A 78 -4.440 9.964 10.187 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.373 11.137 12.115 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.761 12.226 10.798 1.00 0.00 H new ATOM 0 HG SER A 78 -4.408 13.072 12.857 1.00 0.00 H new ATOM 1207 N ASP A 79 -6.463 9.944 12.805 1.00 0.00 N ATOM 1208 CA ASP A 79 -7.003 9.095 13.860 1.00 0.00 C ATOM 1209 C ASP A 79 -7.292 7.692 13.336 1.00 0.00 C ATOM 1210 O ASP A 79 -7.044 6.699 14.020 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.280 9.711 14.435 1.00 0.00 C ATOM 1212 CG ASP A 79 -7.995 10.714 15.536 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -7.624 11.861 15.211 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -8.142 10.351 16.722 1.00 0.00 O ATOM 0 H ASP A 79 -6.867 10.880 12.768 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.256 9.021 14.650 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.835 10.202 13.635 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.918 8.918 14.826 1.00 0.00 H new ATOM 1219 N VAL A 80 -7.817 7.618 12.117 1.00 0.00 N ATOM 1220 CA VAL A 80 -8.139 6.337 11.500 1.00 0.00 C ATOM 1221 C VAL A 80 -6.879 5.521 11.238 1.00 0.00 C ATOM 1222 O VAL A 80 -5.939 6.000 10.604 1.00 0.00 O ATOM 1223 CB VAL A 80 -8.899 6.528 10.174 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -9.218 5.181 9.542 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -10.169 7.334 10.399 1.00 0.00 C ATOM 0 H VAL A 80 -8.028 8.430 11.537 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.777 5.799 12.202 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.261 7.083 9.487 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.755 5.336 8.606 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.291 4.644 9.343 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.837 4.597 10.223 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.693 7.459 9.452 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.814 6.808 11.104 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.912 8.313 10.803 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.867 4.286 11.729 1.00 0.00 N ATOM 1236 CA GLN A 81 -5.721 3.403 11.548 1.00 0.00 C ATOM 1237 C GLN A 81 -6.053 2.271 10.581 1.00 0.00 C ATOM 1238 O GLN A 81 -7.019 1.533 10.781 1.00 0.00 O ATOM 1239 CB GLN A 81 -5.276 2.827 12.893 1.00 0.00 C ATOM 1240 CG GLN A 81 -4.951 3.888 13.932 1.00 0.00 C ATOM 1241 CD GLN A 81 -5.114 3.383 15.352 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -5.711 2.332 15.585 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -4.582 4.132 16.311 1.00 0.00 N ATOM 0 H GLN A 81 -7.638 3.874 12.255 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.906 3.990 11.125 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.063 2.180 13.280 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.397 2.201 12.738 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.926 4.231 13.788 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.600 4.751 13.780 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.096 4.996 16.072 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.660 3.843 17.286 1.00 0.00 H new ATOM 1252 N LEU A 82 -5.248 2.139 9.533 1.00 0.00 N ATOM 1253 CA LEU A 82 -5.456 1.096 8.534 1.00 0.00 C ATOM 1254 C LEU A 82 -4.742 -0.191 8.933 1.00 0.00 C ATOM 1255 O LEU A 82 -3.740 -0.160 9.649 1.00 0.00 O ATOM 1256 CB LEU A 82 -4.959 1.566 7.166 1.00 0.00 C ATOM 1257 CG LEU A 82 -5.554 2.876 6.649 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -4.633 3.511 5.619 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -6.935 2.637 6.057 1.00 0.00 C ATOM 0 H LEU A 82 -4.445 2.741 9.352 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.525 0.892 8.475 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.876 1.676 7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.168 0.783 6.437 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.654 3.564 7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.073 4.442 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.665 3.718 6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.500 2.828 4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.343 3.580 5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.859 1.932 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.593 2.227 6.823 1.00 0.00 H new ATOM 1271 N ILE A 83 -5.263 -1.320 8.465 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.672 -2.617 8.770 1.00 0.00 C ATOM 1273 C ILE A 83 -4.599 -3.495 7.525 1.00 0.00 C ATOM 1274 O ILE A 83 -5.615 -3.769 6.885 1.00 0.00 O ATOM 1275 CB ILE A 83 -5.472 -3.357 9.859 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -5.499 -2.534 11.149 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -4.872 -4.732 10.114 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -6.644 -2.894 12.071 1.00 0.00 C ATOM 0 H ILE A 83 -6.093 -1.363 7.873 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.663 -2.426 9.137 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.497 -3.488 9.512 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.557 -2.674 11.680 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.567 -1.476 10.894 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.448 -5.243 10.886 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.899 -5.317 9.195 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.839 -4.623 10.445 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.601 -2.272 12.965 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -7.591 -2.727 11.558 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.566 -3.943 12.355 1.00 0.00 H new ATOM 1290 N LEU A 84 -3.392 -3.934 7.188 1.00 0.00 N ATOM 1291 CA LEU A 84 -3.185 -4.783 6.020 1.00 0.00 C ATOM 1292 C LEU A 84 -3.587 -6.225 6.317 1.00 0.00 C ATOM 1293 O LEU A 84 -2.802 -6.997 6.868 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.721 -4.730 5.579 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.432 -5.201 4.154 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -1.890 -4.160 3.144 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.050 -5.499 3.980 1.00 0.00 C ATOM 0 H LEU A 84 -2.541 -3.716 7.707 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.815 -4.408 5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.369 -3.703 5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.133 -5.337 6.267 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.990 -6.120 3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.676 -4.513 2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.962 -3.996 3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.360 -3.224 3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.237 -5.833 2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.628 -4.597 4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.348 -6.281 4.678 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.812 -6.580 5.946 1.00 0.00 N ATOM 1310 CA ARG A 85 -5.318 -7.929 6.171 1.00 0.00 C ATOM 1311 C ARG A 85 -5.458 -8.684 4.853 1.00 0.00 C ATOM 1312 O ARG A 85 -5.642 -8.080 3.796 1.00 0.00 O ATOM 1313 CB ARG A 85 -6.668 -7.878 6.888 1.00 0.00 C ATOM 1314 CG ARG A 85 -7.007 -9.154 7.641 1.00 0.00 C ATOM 1315 CD ARG A 85 -6.496 -9.109 9.072 1.00 0.00 C ATOM 1316 NE ARG A 85 -7.316 -8.247 9.919 1.00 0.00 N ATOM 1317 CZ ARG A 85 -7.083 -8.052 11.212 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -6.061 -8.654 11.804 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -7.874 -7.252 11.917 1.00 0.00 N ATOM 0 H ARG A 85 -5.473 -5.952 5.488 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.601 -8.458 6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.666 -7.043 7.588 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.451 -7.679 6.156 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.087 -9.300 7.644 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.571 -10.009 7.125 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.485 -10.118 9.485 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.467 -8.750 9.078 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.111 -7.769 9.495 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -5.450 -9.269 11.266 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.885 -8.502 12.797 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -8.661 -6.787 11.466 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -7.694 -7.103 12.910 1.00 0.00 H new ATOM 1333 N ARG A 86 -5.370 -10.009 4.923 1.00 0.00 N ATOM 1334 CA ARG A 86 -5.485 -10.846 3.735 1.00 0.00 C ATOM 1335 C ARG A 86 -6.940 -10.961 3.290 1.00 0.00 C ATOM 1336 O ARG A 86 -7.853 -10.999 4.116 1.00 0.00 O ATOM 1337 CB ARG A 86 -4.913 -12.238 4.010 1.00 0.00 C ATOM 1338 CG ARG A 86 -4.695 -13.066 2.753 1.00 0.00 C ATOM 1339 CD ARG A 86 -3.946 -14.354 3.057 1.00 0.00 C ATOM 1340 NE ARG A 86 -2.648 -14.100 3.675 1.00 0.00 N ATOM 1341 CZ ARG A 86 -1.831 -15.061 4.091 1.00 0.00 C ATOM 1342 NH1 ARG A 86 -2.176 -16.334 3.955 1.00 0.00 N ATOM 1343 NH2 ARG A 86 -0.665 -14.750 4.644 1.00 0.00 N ATOM 0 H ARG A 86 -5.219 -10.525 5.790 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.914 -10.377 2.933 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.964 -12.134 4.536 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.589 -12.774 4.676 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.658 -13.302 2.300 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.134 -12.481 2.024 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.548 -14.975 3.720 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.804 -14.917 2.135 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.352 -13.131 3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.071 -16.577 3.530 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.547 -17.070 4.275 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.395 -13.772 4.750 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.039 -15.489 4.963 1.00 0.00 H new