USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 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 29 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-0.54) USER MOD Set 1.2: A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 166:sc= -0.061 (180deg=-0.276) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 43:sc= 0.0219 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-2.4) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.076) USER MOD Single : A 44 LYS NZ :NH3+ 155:sc= -0.165 (180deg=-0.659) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc=-0.00813 X(o=-0.0081,f=-0.22) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -24:sc= 0.53 USER MOD Single : A 76 THR OG1 : rot -37:sc= 0.584 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.409 -0.682 0.996 1.00 72.21 N ATOM 2 CA SER A 1 4.473 0.043 0.313 1.00 21.12 C ATOM 3 C SER A 1 5.567 -0.911 -0.156 1.00 45.33 C ATOM 4 O SER A 1 6.728 -0.527 -0.284 1.00 4.45 O ATOM 5 CB SER A 1 5.069 1.107 1.237 1.00 10.44 C ATOM 6 OG SER A 1 4.243 2.256 1.295 1.00 60.43 O ATOM 0 H1 SER A 1 2.804 -0.009 1.508 1.00 72.21 H new ATOM 0 H2 SER A 1 2.838 -1.200 0.298 1.00 72.21 H new ATOM 0 H3 SER A 1 3.825 -1.356 1.670 1.00 72.21 H new ATOM 0 HA SER A 1 4.043 0.531 -0.561 1.00 21.12 H new ATOM 0 HB2 SER A 1 5.193 0.694 2.238 1.00 10.44 H new ATOM 0 HB3 SER A 1 6.061 1.387 0.882 1.00 10.44 H new ATOM 0 HG SER A 1 4.646 2.919 1.893 1.00 60.43 H new ATOM 12 N ASN A 2 5.185 -2.158 -0.412 1.00 23.30 N ATOM 13 CA ASN A 2 6.133 -3.170 -0.867 1.00 5.33 C ATOM 14 C ASN A 2 6.623 -2.860 -2.278 1.00 74.30 C ATOM 15 O ASN A 2 5.866 -2.953 -3.243 1.00 40.12 O ATOM 16 CB ASN A 2 5.486 -4.556 -0.832 1.00 13.33 C ATOM 17 CG ASN A 2 4.857 -4.867 0.512 1.00 3.04 C ATOM 18 OD1 ASN A 2 3.635 -4.955 0.632 1.00 33.21 O ATOM 19 ND2 ASN A 2 5.692 -5.035 1.531 1.00 61.32 N ATOM 0 H ASN A 2 4.227 -2.492 -0.312 1.00 23.30 H new ATOM 0 HA ASN A 2 6.990 -3.159 -0.194 1.00 5.33 H new ATOM 0 HB2 ASN A 2 4.725 -4.618 -1.609 1.00 13.33 H new ATOM 0 HB3 ASN A 2 6.238 -5.311 -1.061 1.00 13.33 H new ATOM 0 HD21 ASN A 2 5.327 -5.246 2.460 1.00 61.32 H new ATOM 0 HD22 ASN A 2 6.698 -4.953 1.385 1.00 61.32 H new ATOM 26 N GLU A 3 7.896 -2.491 -2.389 1.00 13.45 N ATOM 27 CA GLU A 3 8.486 -2.168 -3.682 1.00 73.43 C ATOM 28 C GLU A 3 8.647 -3.423 -4.536 1.00 44.23 C ATOM 29 O GLU A 3 8.372 -4.534 -4.085 1.00 60.13 O ATOM 30 CB GLU A 3 9.846 -1.491 -3.492 1.00 22.32 C ATOM 31 CG GLU A 3 9.760 0.022 -3.370 1.00 15.25 C ATOM 32 CD GLU A 3 9.555 0.703 -4.709 1.00 55.13 C ATOM 33 OE1 GLU A 3 10.505 0.717 -5.519 1.00 21.11 O1- ATOM 34 OE2 GLU A 3 8.445 1.223 -4.947 1.00 20.33 O ATOM 0 H GLU A 3 8.537 -2.409 -1.600 1.00 13.45 H new ATOM 0 HA GLU A 3 7.814 -1.482 -4.197 1.00 73.43 H new ATOM 0 HB2 GLU A 3 10.321 -1.893 -2.597 1.00 22.32 H new ATOM 0 HB3 GLU A 3 10.489 -1.743 -4.335 1.00 22.32 H new ATOM 0 HG2 GLU A 3 8.938 0.283 -2.704 1.00 15.25 H new ATOM 0 HG3 GLU A 3 10.674 0.399 -2.911 1.00 15.25 H new ATOM 41 N CYS A 4 9.093 -3.235 -5.774 1.00 52.22 N ATOM 42 CA CYS A 4 9.290 -4.350 -6.693 1.00 21.31 C ATOM 43 C CYS A 4 10.757 -4.763 -6.740 1.00 74.32 C ATOM 44 O CYS A 4 11.616 -4.111 -6.145 1.00 44.11 O ATOM 45 CB CYS A 4 8.809 -3.972 -8.096 1.00 51.15 C ATOM 46 SG CYS A 4 9.773 -2.637 -8.878 1.00 11.12 S ATOM 0 H CYS A 4 9.325 -2.321 -6.164 1.00 52.22 H new ATOM 0 HA CYS A 4 8.705 -5.195 -6.331 1.00 21.31 H new ATOM 0 HB2 CYS A 4 8.849 -4.856 -8.733 1.00 51.15 H new ATOM 0 HB3 CYS A 4 7.764 -3.667 -8.040 1.00 51.15 H new ATOM 51 N ILE A 5 11.037 -5.850 -7.452 1.00 31.52 N ATOM 52 CA ILE A 5 12.401 -6.350 -7.579 1.00 72.10 C ATOM 53 C ILE A 5 13.245 -5.429 -8.453 1.00 53.01 C ATOM 54 O ILE A 5 12.945 -5.227 -9.630 1.00 4.05 O ATOM 55 CB ILE A 5 12.427 -7.770 -8.172 1.00 12.53 C ATOM 56 CG1 ILE A 5 11.623 -8.729 -7.293 1.00 62.43 C ATOM 57 CG2 ILE A 5 13.861 -8.255 -8.322 1.00 31.52 C ATOM 58 CD1 ILE A 5 11.370 -10.074 -7.939 1.00 31.22 C ATOM 0 H ILE A 5 10.338 -6.401 -7.950 1.00 31.52 H new ATOM 0 HA ILE A 5 12.822 -6.378 -6.574 1.00 72.10 H new ATOM 0 HB ILE A 5 11.968 -7.743 -9.160 1.00 12.53 H new ATOM 0 HG12 ILE A 5 12.155 -8.881 -6.354 1.00 62.43 H new ATOM 0 HG13 ILE A 5 10.667 -8.268 -7.047 1.00 62.43 H new ATOM 0 HG21 ILE A 5 13.863 -9.261 -8.743 1.00 31.52 H new ATOM 0 HG22 ILE A 5 14.405 -7.583 -8.986 1.00 31.52 H new ATOM 0 HG23 ILE A 5 14.344 -8.269 -7.345 1.00 31.52 H new ATOM 0 HD11 ILE A 5 10.795 -10.702 -7.259 1.00 31.22 H new ATOM 0 HD12 ILE A 5 10.811 -9.934 -8.864 1.00 31.22 H new ATOM 0 HD13 ILE A 5 12.322 -10.556 -8.160 1.00 31.22 H new ATOM 70 N ARG A 6 14.303 -4.874 -7.871 1.00 34.14 N ATOM 71 CA ARG A 6 15.191 -3.976 -8.597 1.00 41.52 C ATOM 72 C ARG A 6 15.725 -4.643 -9.861 1.00 31.32 C ATOM 73 O ARG A 6 15.955 -5.852 -9.888 1.00 14.52 O ATOM 74 CB ARG A 6 16.356 -3.544 -7.705 1.00 30.43 C ATOM 75 CG ARG A 6 15.934 -2.674 -6.531 1.00 22.22 C ATOM 76 CD ARG A 6 15.660 -3.509 -5.290 1.00 30.33 C ATOM 77 NE ARG A 6 15.767 -2.720 -4.065 1.00 51.53 N ATOM 78 CZ ARG A 6 15.346 -3.144 -2.879 1.00 44.12 C ATOM 79 NH1 ARG A 6 14.791 -4.343 -2.758 1.00 51.33 N1+ ATOM 80 NH2 ARG A 6 15.479 -2.369 -1.811 1.00 11.21 N ATOM 0 H ARG A 6 14.566 -5.031 -6.898 1.00 34.14 H new ATOM 0 HA ARG A 6 14.618 -3.095 -8.886 1.00 41.52 H new ATOM 0 HB2 ARG A 6 16.861 -4.432 -7.325 1.00 30.43 H new ATOM 0 HB3 ARG A 6 17.082 -2.999 -8.308 1.00 30.43 H new ATOM 0 HG2 ARG A 6 16.717 -1.946 -6.316 1.00 22.22 H new ATOM 0 HG3 ARG A 6 15.039 -2.111 -6.797 1.00 22.22 H new ATOM 0 HD2 ARG A 6 14.662 -3.941 -5.357 1.00 30.33 H new ATOM 0 HD3 ARG A 6 16.365 -4.340 -5.249 1.00 30.33 H new ATOM 0 HE ARG A 6 16.188 -1.793 -4.124 1.00 51.53 H new ATOM 0 HH11 ARG A 6 14.687 -4.942 -3.577 1.00 51.33 H new ATOM 0 HH12 ARG A 6 14.469 -4.666 -1.846 1.00 51.33 H new ATOM 0 HH21 ARG A 6 15.905 -1.446 -1.900 1.00 11.21 H new ATOM 0 HH22 ARG A 6 15.155 -2.695 -0.900 1.00 11.21 H new ATOM 94 N LYS A 7 15.921 -3.847 -10.907 1.00 12.45 N ATOM 95 CA LYS A 7 16.429 -4.359 -12.174 1.00 74.33 C ATOM 96 C LYS A 7 17.837 -4.921 -12.008 1.00 3.13 C ATOM 97 O LYS A 7 18.654 -4.366 -11.274 1.00 45.21 O ATOM 98 CB LYS A 7 16.430 -3.252 -13.231 1.00 25.23 C ATOM 99 CG LYS A 7 16.592 -3.767 -14.650 1.00 71.33 C ATOM 100 CD LYS A 7 16.492 -2.642 -15.666 1.00 42.04 C ATOM 101 CE LYS A 7 17.571 -1.592 -15.444 1.00 22.14 C ATOM 102 NZ LYS A 7 17.764 -0.732 -16.645 1.00 43.20 N1+ ATOM 0 H LYS A 7 15.735 -2.844 -10.902 1.00 12.45 H new ATOM 0 HA LYS A 7 15.772 -5.165 -12.502 1.00 74.33 H new ATOM 0 HB2 LYS A 7 15.497 -2.693 -13.161 1.00 25.23 H new ATOM 0 HB3 LYS A 7 17.238 -2.553 -13.013 1.00 25.23 H new ATOM 0 HG2 LYS A 7 17.557 -4.264 -14.750 1.00 71.33 H new ATOM 0 HG3 LYS A 7 15.826 -4.514 -14.857 1.00 71.33 H new ATOM 0 HD2 LYS A 7 16.582 -3.050 -16.673 1.00 42.04 H new ATOM 0 HD3 LYS A 7 15.509 -2.175 -15.598 1.00 42.04 H new ATOM 0 HE2 LYS A 7 17.302 -0.969 -14.591 1.00 22.14 H new ATOM 0 HE3 LYS A 7 18.511 -2.084 -15.195 1.00 22.14 H new ATOM 0 HZ1 LYS A 7 18.507 -0.030 -16.453 1.00 43.20 H new ATOM 0 HZ2 LYS A 7 18.046 -1.323 -17.453 1.00 43.20 H new ATOM 0 HZ3 LYS A 7 16.874 -0.242 -16.868 1.00 43.20 H new ATOM 116 N TRP A 8 18.115 -6.022 -12.698 1.00 12.14 N ATOM 117 CA TRP A 8 19.426 -6.657 -12.627 1.00 60.14 C ATOM 118 C TRP A 8 19.801 -6.973 -11.184 1.00 43.13 C ATOM 119 O TRP A 8 20.880 -6.606 -10.718 1.00 71.13 O ATOM 120 CB TRP A 8 20.487 -5.754 -13.258 1.00 3.43 C ATOM 121 CG TRP A 8 20.417 -5.710 -14.753 1.00 52.22 C ATOM 122 CD1 TRP A 8 19.999 -4.664 -15.525 1.00 3.11 C ATOM 123 CD2 TRP A 8 20.776 -6.760 -15.659 1.00 13.05 C ATOM 124 NE1 TRP A 8 20.074 -5.000 -16.855 1.00 62.13 N ATOM 125 CE2 TRP A 8 20.549 -6.280 -16.964 1.00 53.22 C ATOM 126 CE3 TRP A 8 21.267 -8.058 -15.496 1.00 2.53 C ATOM 127 CZ2 TRP A 8 20.797 -7.054 -18.095 1.00 42.03 C ATOM 128 CZ3 TRP A 8 21.513 -8.824 -16.618 1.00 23.11 C ATOM 129 CH2 TRP A 8 21.278 -8.320 -17.905 1.00 64.05 C ATOM 0 H TRP A 8 17.451 -6.493 -13.312 1.00 12.14 H new ATOM 0 HA TRP A 8 19.379 -7.594 -13.183 1.00 60.14 H new ATOM 0 HB2 TRP A 8 20.373 -4.743 -12.866 1.00 3.43 H new ATOM 0 HB3 TRP A 8 21.475 -6.102 -12.958 1.00 3.43 H new ATOM 0 HD1 TRP A 8 19.659 -3.712 -15.145 1.00 3.11 H new ATOM 0 HE1 TRP A 8 19.818 -4.394 -17.635 1.00 62.13 H new ATOM 0 HE3 TRP A 8 21.451 -8.455 -14.509 1.00 2.53 H new ATOM 0 HZ2 TRP A 8 20.616 -6.668 -19.087 1.00 42.03 H new ATOM 0 HZ3 TRP A 8 21.893 -9.828 -16.502 1.00 23.11 H new ATOM 0 HH2 TRP A 8 21.481 -8.944 -18.763 1.00 64.05 H new ATOM 140 N LEU A 9 18.905 -7.655 -10.480 1.00 24.33 N ATOM 141 CA LEU A 9 19.142 -8.021 -9.088 1.00 13.42 C ATOM 142 C LEU A 9 19.031 -9.530 -8.894 1.00 32.14 C ATOM 143 O LEU A 9 19.996 -10.191 -8.511 1.00 32.51 O ATOM 144 CB LEU A 9 18.148 -7.304 -8.174 1.00 64.42 C ATOM 145 CG LEU A 9 18.379 -7.466 -6.671 1.00 13.01 C ATOM 146 CD1 LEU A 9 19.625 -6.710 -6.237 1.00 21.52 C ATOM 147 CD2 LEU A 9 17.163 -6.989 -5.890 1.00 2.10 C ATOM 0 H LEU A 9 18.007 -7.966 -10.850 1.00 24.33 H new ATOM 0 HA LEU A 9 20.154 -7.713 -8.826 1.00 13.42 H new ATOM 0 HB2 LEU A 9 18.169 -6.240 -8.412 1.00 64.42 H new ATOM 0 HB3 LEU A 9 17.146 -7.663 -8.408 1.00 64.42 H new ATOM 0 HG LEU A 9 18.530 -8.524 -6.458 1.00 13.01 H new ATOM 0 HD11 LEU A 9 19.773 -6.837 -5.165 1.00 21.52 H new ATOM 0 HD12 LEU A 9 20.492 -7.100 -6.771 1.00 21.52 H new ATOM 0 HD13 LEU A 9 19.505 -5.651 -6.464 1.00 21.52 H new ATOM 0 HD21 LEU A 9 17.345 -7.112 -4.822 1.00 2.10 H new ATOM 0 HD22 LEU A 9 16.980 -5.937 -6.108 1.00 2.10 H new ATOM 0 HD23 LEU A 9 16.292 -7.576 -6.179 1.00 2.10 H new ATOM 159 N SER A 10 17.847 -10.070 -9.164 1.00 45.25 N ATOM 160 CA SER A 10 17.608 -11.501 -9.018 1.00 64.14 C ATOM 161 C SER A 10 16.173 -11.854 -9.397 1.00 64.00 C ATOM 162 O SER A 10 15.229 -11.159 -9.019 1.00 53.42 O ATOM 163 CB SER A 10 17.891 -11.943 -7.581 1.00 54.12 C ATOM 164 OG SER A 10 18.682 -13.118 -7.555 1.00 65.41 O ATOM 0 H SER A 10 17.038 -9.538 -9.485 1.00 45.25 H new ATOM 0 HA SER A 10 18.283 -12.027 -9.692 1.00 64.14 H new ATOM 0 HB2 SER A 10 18.404 -11.144 -7.046 1.00 54.12 H new ATOM 0 HB3 SER A 10 16.950 -12.123 -7.061 1.00 54.12 H new ATOM 0 HG SER A 10 19.395 -13.047 -8.224 1.00 65.41 H new ATOM 170 N CYS A 11 16.016 -12.939 -10.149 1.00 71.34 N ATOM 171 CA CYS A 11 14.697 -13.386 -10.582 1.00 40.34 C ATOM 172 C CYS A 11 14.188 -14.518 -9.693 1.00 4.42 C ATOM 173 O CYS A 11 12.988 -14.782 -9.634 1.00 25.34 O ATOM 174 CB CYS A 11 14.745 -13.848 -12.039 1.00 32.52 C ATOM 175 SG CYS A 11 13.259 -13.424 -13.003 1.00 22.00 S ATOM 0 H CYS A 11 16.786 -13.525 -10.471 1.00 71.34 H new ATOM 0 HA CYS A 11 14.009 -12.545 -10.498 1.00 40.34 H new ATOM 0 HB2 CYS A 11 15.616 -13.405 -12.521 1.00 32.52 H new ATOM 0 HB3 CYS A 11 14.884 -14.929 -12.062 1.00 32.52 H new ATOM 180 N VAL A 12 15.111 -15.182 -9.004 1.00 1.33 N ATOM 181 CA VAL A 12 14.756 -16.285 -8.118 1.00 2.34 C ATOM 182 C VAL A 12 13.647 -15.880 -7.153 1.00 65.54 C ATOM 183 O VAL A 12 12.839 -16.709 -6.737 1.00 52.14 O ATOM 184 CB VAL A 12 15.974 -16.768 -7.309 1.00 70.43 C ATOM 185 CG1 VAL A 12 15.616 -17.998 -6.490 1.00 73.24 C ATOM 186 CG2 VAL A 12 17.148 -17.056 -8.234 1.00 54.01 C ATOM 0 H VAL A 12 16.109 -14.976 -9.042 1.00 1.33 H new ATOM 0 HA VAL A 12 14.403 -17.099 -8.751 1.00 2.34 H new ATOM 0 HB VAL A 12 16.269 -15.976 -6.621 1.00 70.43 H new ATOM 0 HG11 VAL A 12 16.489 -18.325 -5.925 1.00 73.24 H new ATOM 0 HG12 VAL A 12 14.808 -17.754 -5.801 1.00 73.24 H new ATOM 0 HG13 VAL A 12 15.294 -18.798 -7.157 1.00 73.24 H new ATOM 0 HG21 VAL A 12 18.000 -17.396 -7.645 1.00 54.01 H new ATOM 0 HG22 VAL A 12 16.867 -17.831 -8.948 1.00 54.01 H new ATOM 0 HG23 VAL A 12 17.418 -16.148 -8.772 1.00 54.01 H new ATOM 196 N ASP A 13 13.614 -14.598 -6.803 1.00 50.12 N ATOM 197 CA ASP A 13 12.604 -14.082 -5.888 1.00 21.44 C ATOM 198 C ASP A 13 11.213 -14.168 -6.509 1.00 13.52 C ATOM 199 O ASP A 13 10.378 -14.963 -6.079 1.00 20.24 O ATOM 200 CB ASP A 13 12.919 -12.633 -5.512 1.00 4.14 C ATOM 201 CG ASP A 13 14.254 -12.495 -4.807 1.00 12.14 C ATOM 202 OD1 ASP A 13 14.613 -13.406 -4.032 1.00 51.22 O1- ATOM 203 OD2 ASP A 13 14.940 -11.476 -5.031 1.00 63.11 O ATOM 0 H ASP A 13 14.275 -13.898 -7.140 1.00 50.12 H new ATOM 0 HA ASP A 13 12.618 -14.695 -4.987 1.00 21.44 H new ATOM 0 HB2 ASP A 13 12.922 -12.019 -6.413 1.00 4.14 H new ATOM 0 HB3 ASP A 13 12.129 -12.248 -4.867 1.00 4.14 H new ATOM 208 N ARG A 14 10.972 -13.344 -7.525 1.00 34.15 N ATOM 209 CA ARG A 14 9.683 -13.327 -8.205 1.00 11.34 C ATOM 210 C ARG A 14 9.841 -12.896 -9.660 1.00 1.34 C ATOM 211 O ARG A 14 10.090 -11.726 -9.950 1.00 5.14 O ATOM 212 CB ARG A 14 8.716 -12.383 -7.485 1.00 44.02 C ATOM 213 CG ARG A 14 8.274 -12.888 -6.121 1.00 11.43 C ATOM 214 CD ARG A 14 9.178 -12.366 -5.015 1.00 33.34 C ATOM 215 NE ARG A 14 9.303 -13.320 -3.915 1.00 31.23 N ATOM 216 CZ ARG A 14 9.941 -13.053 -2.781 1.00 33.30 C ATOM 217 NH1 ARG A 14 10.507 -11.869 -2.598 1.00 64.12 N1+ ATOM 218 NH2 ARG A 14 10.012 -13.974 -1.828 1.00 13.11 N ATOM 0 H ARG A 14 11.653 -12.680 -7.894 1.00 34.15 H new ATOM 0 HA ARG A 14 9.277 -14.338 -8.186 1.00 11.34 H new ATOM 0 HB2 ARG A 14 9.193 -11.410 -7.366 1.00 44.02 H new ATOM 0 HB3 ARG A 14 7.836 -12.232 -8.110 1.00 44.02 H new ATOM 0 HG2 ARG A 14 7.247 -12.576 -5.931 1.00 11.43 H new ATOM 0 HG3 ARG A 14 8.282 -13.978 -6.115 1.00 11.43 H new ATOM 0 HD2 ARG A 14 10.166 -12.153 -5.424 1.00 33.34 H new ATOM 0 HD3 ARG A 14 8.780 -11.425 -4.635 1.00 33.34 H new ATOM 0 HE ARG A 14 8.877 -14.241 -4.024 1.00 31.23 H new ATOM 0 HH11 ARG A 14 10.453 -11.160 -3.329 1.00 64.12 H new ATOM 0 HH12 ARG A 14 10.996 -11.667 -1.726 1.00 64.12 H new ATOM 0 HH21 ARG A 14 9.577 -14.886 -1.967 1.00 13.11 H new ATOM 0 HH22 ARG A 14 10.502 -13.770 -0.957 1.00 13.11 H new ATOM 232 N LYS A 15 9.695 -13.852 -10.573 1.00 52.10 N ATOM 233 CA LYS A 15 9.821 -13.573 -11.999 1.00 21.15 C ATOM 234 C LYS A 15 8.558 -12.907 -12.536 1.00 23.41 C ATOM 235 O LYS A 15 8.608 -12.159 -13.511 1.00 3.31 O ATOM 236 CB LYS A 15 10.096 -14.866 -12.769 1.00 22.05 C ATOM 237 CG LYS A 15 8.912 -15.818 -12.803 1.00 60.24 C ATOM 238 CD LYS A 15 9.363 -17.265 -12.908 1.00 23.34 C ATOM 239 CE LYS A 15 8.182 -18.203 -13.113 1.00 43.34 C ATOM 240 NZ LYS A 15 8.609 -19.629 -13.158 1.00 34.55 N1+ ATOM 0 H LYS A 15 9.489 -14.826 -10.350 1.00 52.10 H new ATOM 0 HA LYS A 15 10.658 -12.889 -12.138 1.00 21.15 H new ATOM 0 HB2 LYS A 15 10.380 -14.617 -13.791 1.00 22.05 H new ATOM 0 HB3 LYS A 15 10.947 -15.374 -12.316 1.00 22.05 H new ATOM 0 HG2 LYS A 15 8.313 -15.687 -11.902 1.00 60.24 H new ATOM 0 HG3 LYS A 15 8.271 -15.573 -13.650 1.00 60.24 H new ATOM 0 HD2 LYS A 15 10.061 -17.370 -13.738 1.00 23.34 H new ATOM 0 HD3 LYS A 15 9.900 -17.547 -12.002 1.00 23.34 H new ATOM 0 HE2 LYS A 15 7.463 -18.064 -12.305 1.00 43.34 H new ATOM 0 HE3 LYS A 15 7.672 -17.947 -14.041 1.00 43.34 H new ATOM 0 HZ1 LYS A 15 7.777 -20.236 -13.299 1.00 34.55 H new ATOM 0 HZ2 LYS A 15 9.275 -19.767 -13.944 1.00 34.55 H new ATOM 0 HZ3 LYS A 15 9.074 -19.881 -12.262 1.00 34.55 H new ATOM 254 N ASN A 16 7.429 -13.184 -11.893 1.00 74.22 N ATOM 255 CA ASN A 16 6.154 -12.610 -12.307 1.00 2.32 C ATOM 256 C ASN A 16 5.969 -11.215 -11.719 1.00 61.22 C ATOM 257 O ASN A 16 5.216 -10.400 -12.253 1.00 13.45 O ATOM 258 CB ASN A 16 4.999 -13.516 -11.874 1.00 35.24 C ATOM 259 CG ASN A 16 4.848 -14.729 -12.772 1.00 64.51 C ATOM 260 OD1 ASN A 16 5.777 -15.522 -12.923 1.00 50.32 O ATOM 261 ND2 ASN A 16 3.672 -14.877 -13.373 1.00 31.22 N ATOM 0 H ASN A 16 7.371 -13.802 -11.084 1.00 74.22 H new ATOM 0 HA ASN A 16 6.156 -12.529 -13.394 1.00 2.32 H new ATOM 0 HB2 ASN A 16 5.164 -13.845 -10.848 1.00 35.24 H new ATOM 0 HB3 ASN A 16 4.071 -12.945 -11.880 1.00 35.24 H new ATOM 0 HD21 ASN A 16 3.511 -15.674 -13.989 1.00 31.22 H new ATOM 0 HD22 ASN A 16 2.931 -14.194 -13.218 1.00 31.22 H new ATOM 268 N ASP A 17 6.658 -10.948 -10.615 1.00 63.14 N ATOM 269 CA ASP A 17 6.571 -9.650 -9.954 1.00 4.05 C ATOM 270 C ASP A 17 7.909 -8.919 -10.015 1.00 14.43 C ATOM 271 O ASP A 17 8.267 -8.181 -9.097 1.00 10.22 O ATOM 272 CB ASP A 17 6.136 -9.825 -8.498 1.00 62.44 C ATOM 273 CG ASP A 17 4.690 -10.265 -8.375 1.00 12.13 C ATOM 274 OD1 ASP A 17 3.809 -9.568 -8.919 1.00 23.40 O1- ATOM 275 OD2 ASP A 17 4.442 -11.308 -7.735 1.00 64.23 O ATOM 0 H ASP A 17 7.283 -11.613 -10.159 1.00 63.14 H new ATOM 0 HA ASP A 17 5.826 -9.051 -10.478 1.00 4.05 H new ATOM 0 HB2 ASP A 17 6.779 -10.561 -8.016 1.00 62.44 H new ATOM 0 HB3 ASP A 17 6.273 -8.884 -7.965 1.00 62.44 H new ATOM 280 N CYS A 18 8.645 -9.132 -11.100 1.00 22.14 N ATOM 281 CA CYS A 18 9.944 -8.495 -11.281 1.00 12.03 C ATOM 282 C CYS A 18 9.838 -6.983 -11.106 1.00 12.24 C ATOM 283 O CYS A 18 10.328 -6.424 -10.125 1.00 15.22 O ATOM 284 CB CYS A 18 10.507 -8.821 -12.666 1.00 65.22 C ATOM 285 SG CYS A 18 11.698 -10.199 -12.679 1.00 64.10 S ATOM 0 H CYS A 18 8.364 -9.741 -11.868 1.00 22.14 H new ATOM 0 HA CYS A 18 10.620 -8.884 -10.520 1.00 12.03 H new ATOM 0 HB2 CYS A 18 9.681 -9.063 -13.335 1.00 65.22 H new ATOM 0 HB3 CYS A 18 10.992 -7.932 -13.068 1.00 65.22 H new ATOM 290 N CYS A 19 9.192 -6.326 -12.063 1.00 52.34 N ATOM 291 CA CYS A 19 9.020 -4.879 -12.017 1.00 50.21 C ATOM 292 C CYS A 19 8.241 -4.384 -13.232 1.00 44.05 C ATOM 293 O CYS A 19 7.703 -5.179 -14.002 1.00 61.25 O ATOM 294 CB CYS A 19 10.382 -4.185 -11.954 1.00 45.44 C ATOM 295 SG CYS A 19 10.479 -2.850 -10.718 1.00 3.21 S ATOM 0 H CYS A 19 8.778 -6.773 -12.881 1.00 52.34 H new ATOM 0 HA CYS A 19 8.452 -4.634 -11.119 1.00 50.21 H new ATOM 0 HB2 CYS A 19 11.147 -4.929 -11.731 1.00 45.44 H new ATOM 0 HB3 CYS A 19 10.614 -3.774 -12.936 1.00 45.44 H new ATOM 300 N GLU A 20 8.184 -3.067 -13.397 1.00 0.41 N ATOM 301 CA GLU A 20 7.470 -2.467 -14.517 1.00 21.12 C ATOM 302 C GLU A 20 8.369 -2.375 -15.747 1.00 12.24 C ATOM 303 O GLU A 20 9.344 -1.626 -15.762 1.00 33.41 O ATOM 304 CB GLU A 20 6.960 -1.074 -14.139 1.00 34.22 C ATOM 305 CG GLU A 20 6.314 -0.329 -15.295 1.00 61.45 C ATOM 306 CD GLU A 20 5.560 0.908 -14.842 1.00 22.34 C ATOM 307 OE1 GLU A 20 4.376 0.775 -14.467 1.00 41.52 O ATOM 308 OE2 GLU A 20 6.154 2.005 -14.864 1.00 2.13 O1- ATOM 0 H GLU A 20 8.624 -2.395 -12.769 1.00 0.41 H new ATOM 0 HA GLU A 20 6.619 -3.105 -14.756 1.00 21.12 H new ATOM 0 HB2 GLU A 20 6.237 -1.168 -13.329 1.00 34.22 H new ATOM 0 HB3 GLU A 20 7.792 -0.483 -13.756 1.00 34.22 H new ATOM 0 HG2 GLU A 20 7.083 -0.040 -16.011 1.00 61.45 H new ATOM 0 HG3 GLU A 20 5.629 -0.998 -15.816 1.00 61.45 H new ATOM 315 N GLY A 21 8.029 -3.142 -16.779 1.00 40.44 N ATOM 316 CA GLY A 21 8.815 -3.134 -18.000 1.00 52.55 C ATOM 317 C GLY A 21 10.047 -4.012 -17.903 1.00 53.30 C ATOM 318 O GLY A 21 11.089 -3.697 -18.478 1.00 0.22 O ATOM 0 H GLY A 21 7.224 -3.768 -16.791 1.00 40.44 H new ATOM 0 HA2 GLY A 21 8.195 -3.474 -18.830 1.00 52.55 H new ATOM 0 HA3 GLY A 21 9.118 -2.112 -18.226 1.00 52.55 H new ATOM 322 N LEU A 22 9.928 -5.115 -17.173 1.00 13.10 N ATOM 323 CA LEU A 22 11.041 -6.042 -17.001 1.00 41.51 C ATOM 324 C LEU A 22 10.603 -7.477 -17.276 1.00 64.04 C ATOM 325 O LEU A 22 9.413 -7.788 -17.250 1.00 31.15 O ATOM 326 CB LEU A 22 11.607 -5.933 -15.584 1.00 20.40 C ATOM 327 CG LEU A 22 12.271 -4.602 -15.227 1.00 3.03 C ATOM 328 CD1 LEU A 22 12.920 -4.681 -13.854 1.00 13.13 C ATOM 329 CD2 LEU A 22 13.298 -4.218 -16.282 1.00 73.44 C ATOM 0 H LEU A 22 9.072 -5.389 -16.691 1.00 13.10 H new ATOM 0 HA LEU A 22 11.817 -5.775 -17.718 1.00 41.51 H new ATOM 0 HB2 LEU A 22 10.798 -6.114 -14.876 1.00 20.40 H new ATOM 0 HB3 LEU A 22 12.337 -6.730 -15.444 1.00 20.40 H new ATOM 0 HG LEU A 22 11.502 -3.830 -15.199 1.00 3.03 H new ATOM 0 HD11 LEU A 22 13.387 -3.725 -13.617 1.00 13.13 H new ATOM 0 HD12 LEU A 22 12.161 -4.910 -13.106 1.00 13.13 H new ATOM 0 HD13 LEU A 22 13.677 -5.465 -13.854 1.00 13.13 H new ATOM 0 HD21 LEU A 22 13.760 -3.269 -16.011 1.00 73.44 H new ATOM 0 HD22 LEU A 22 14.065 -4.991 -16.342 1.00 73.44 H new ATOM 0 HD23 LEU A 22 12.806 -4.119 -17.250 1.00 73.44 H new ATOM 341 N GLU A 23 11.574 -8.347 -17.540 1.00 73.11 N ATOM 342 CA GLU A 23 11.288 -9.749 -17.819 1.00 72.50 C ATOM 343 C GLU A 23 12.381 -10.651 -17.252 1.00 73.15 C ATOM 344 O GLU A 23 13.435 -10.176 -16.829 1.00 53.25 O ATOM 345 CB GLU A 23 11.154 -9.975 -19.326 1.00 42.13 C ATOM 346 CG GLU A 23 9.721 -9.908 -19.827 1.00 54.44 C ATOM 347 CD GLU A 23 8.948 -11.183 -19.555 1.00 41.24 C ATOM 348 OE1 GLU A 23 8.884 -11.598 -18.379 1.00 33.22 O1- ATOM 349 OE2 GLU A 23 8.406 -11.765 -20.518 1.00 62.21 O ATOM 0 H GLU A 23 12.565 -8.105 -17.566 1.00 73.11 H new ATOM 0 HA GLU A 23 10.345 -10.004 -17.336 1.00 72.50 H new ATOM 0 HB2 GLU A 23 11.749 -9.228 -19.851 1.00 42.13 H new ATOM 0 HB3 GLU A 23 11.573 -10.950 -19.577 1.00 42.13 H new ATOM 0 HG2 GLU A 23 9.212 -9.070 -19.350 1.00 54.44 H new ATOM 0 HG3 GLU A 23 9.724 -9.711 -20.899 1.00 54.44 H new ATOM 356 N CYS A 24 12.121 -11.953 -17.249 1.00 3.15 N ATOM 357 CA CYS A 24 13.081 -12.923 -16.734 1.00 43.32 C ATOM 358 C CYS A 24 14.054 -13.357 -17.826 1.00 13.33 C ATOM 359 O CYS A 24 13.642 -13.753 -18.918 1.00 71.04 O ATOM 360 CB CYS A 24 12.351 -14.145 -16.171 1.00 63.05 C ATOM 361 SG CYS A 24 13.039 -14.762 -14.601 1.00 51.21 S ATOM 0 H CYS A 24 11.254 -12.362 -17.597 1.00 3.15 H new ATOM 0 HA CYS A 24 13.648 -12.446 -15.934 1.00 43.32 H new ATOM 0 HB2 CYS A 24 11.302 -13.891 -16.021 1.00 63.05 H new ATOM 0 HB3 CYS A 24 12.383 -14.946 -16.909 1.00 63.05 H new ATOM 366 N TYR A 25 15.345 -13.280 -17.525 1.00 42.15 N ATOM 367 CA TYR A 25 16.377 -13.663 -18.482 1.00 43.13 C ATOM 368 C TYR A 25 16.814 -15.108 -18.263 1.00 24.34 C ATOM 369 O TYR A 25 16.788 -15.615 -17.140 1.00 2.23 O ATOM 370 CB TYR A 25 17.584 -12.730 -18.362 1.00 24.23 C ATOM 371 CG TYR A 25 18.696 -13.050 -19.334 1.00 72.44 C ATOM 372 CD1 TYR A 25 18.556 -12.786 -20.691 1.00 1.13 C ATOM 373 CD2 TYR A 25 19.886 -13.617 -18.897 1.00 73.43 C ATOM 374 CE1 TYR A 25 19.568 -13.077 -21.585 1.00 40.22 C ATOM 375 CE2 TYR A 25 20.906 -13.910 -19.783 1.00 20.10 C ATOM 376 CZ TYR A 25 20.742 -13.640 -21.125 1.00 72.10 C ATOM 377 OH TYR A 25 21.754 -13.931 -22.011 1.00 42.01 O ATOM 0 H TYR A 25 15.702 -12.956 -16.626 1.00 42.15 H new ATOM 0 HA TYR A 25 15.957 -13.577 -19.484 1.00 43.13 H new ATOM 0 HB2 TYR A 25 17.256 -11.703 -18.523 1.00 24.23 H new ATOM 0 HB3 TYR A 25 17.975 -12.784 -17.346 1.00 24.23 H new ATOM 0 HD1 TYR A 25 17.639 -12.345 -21.053 1.00 1.13 H new ATOM 0 HD2 TYR A 25 20.017 -13.833 -17.847 1.00 73.43 H new ATOM 0 HE1 TYR A 25 19.442 -12.866 -22.637 1.00 40.22 H new ATOM 0 HE2 TYR A 25 21.826 -14.348 -19.426 1.00 20.10 H new ATOM 0 HH TYR A 25 22.511 -14.321 -21.526 1.00 42.01 H new ATOM 387 N LYS A 26 17.216 -15.768 -19.344 1.00 24.35 N ATOM 388 CA LYS A 26 17.661 -17.154 -19.273 1.00 34.53 C ATOM 389 C LYS A 26 19.123 -17.236 -18.846 1.00 64.11 C ATOM 390 O LYS A 26 20.000 -16.659 -19.488 1.00 12.35 O ATOM 391 CB LYS A 26 17.476 -17.841 -20.628 1.00 44.31 C ATOM 392 CG LYS A 26 18.265 -17.191 -21.752 1.00 35.50 C ATOM 393 CD LYS A 26 17.561 -17.346 -23.089 1.00 15.23 C ATOM 394 CE LYS A 26 17.485 -18.805 -23.514 1.00 24.30 C ATOM 395 NZ LYS A 26 18.822 -19.346 -23.880 1.00 45.14 N1+ ATOM 0 H LYS A 26 17.243 -15.364 -20.280 1.00 24.35 H new ATOM 0 HA LYS A 26 17.054 -17.666 -18.526 1.00 34.53 H new ATOM 0 HB2 LYS A 26 17.777 -18.885 -20.541 1.00 44.31 H new ATOM 0 HB3 LYS A 26 16.417 -17.835 -20.888 1.00 44.31 H new ATOM 0 HG2 LYS A 26 18.405 -16.132 -21.534 1.00 35.50 H new ATOM 0 HG3 LYS A 26 19.257 -17.639 -21.808 1.00 35.50 H new ATOM 0 HD2 LYS A 26 16.555 -16.933 -23.021 1.00 15.23 H new ATOM 0 HD3 LYS A 26 18.091 -16.772 -23.849 1.00 15.23 H new ATOM 0 HE2 LYS A 26 17.063 -19.398 -22.703 1.00 24.30 H new ATOM 0 HE3 LYS A 26 16.809 -18.901 -24.364 1.00 24.30 H new ATOM 0 HZ1 LYS A 26 18.710 -20.288 -24.307 1.00 45.14 H new ATOM 0 HZ2 LYS A 26 19.279 -18.709 -24.563 1.00 45.14 H new ATOM 0 HZ3 LYS A 26 19.412 -19.420 -23.027 1.00 45.14 H new ATOM 409 N ARG A 27 19.378 -17.956 -17.758 1.00 13.42 N ATOM 410 CA ARG A 27 20.734 -18.113 -17.246 1.00 2.22 C ATOM 411 C ARG A 27 20.942 -19.513 -16.677 1.00 13.11 C ATOM 412 O ARG A 27 20.103 -20.023 -15.935 1.00 42.10 O ATOM 413 CB ARG A 27 21.019 -17.066 -16.168 1.00 75.21 C ATOM 414 CG ARG A 27 22.476 -16.638 -16.103 1.00 55.10 C ATOM 415 CD ARG A 27 22.832 -15.697 -17.242 1.00 52.24 C ATOM 416 NE ARG A 27 23.653 -14.576 -16.789 1.00 31.33 N ATOM 417 CZ ARG A 27 23.204 -13.609 -15.997 1.00 45.33 C ATOM 418 NH1 ARG A 27 21.949 -13.625 -15.572 1.00 21.44 N1+ ATOM 419 NH2 ARG A 27 24.012 -12.623 -15.630 1.00 63.22 N ATOM 0 H ARG A 27 18.663 -18.440 -17.214 1.00 13.42 H new ATOM 0 HA ARG A 27 21.427 -17.970 -18.075 1.00 2.22 H new ATOM 0 HB2 ARG A 27 20.400 -16.188 -16.353 1.00 75.21 H new ATOM 0 HB3 ARG A 27 20.723 -17.466 -15.198 1.00 75.21 H new ATOM 0 HG2 ARG A 27 22.670 -16.146 -15.150 1.00 55.10 H new ATOM 0 HG3 ARG A 27 23.117 -17.519 -16.143 1.00 55.10 H new ATOM 0 HD2 ARG A 27 23.367 -16.249 -18.015 1.00 52.24 H new ATOM 0 HD3 ARG A 27 21.918 -15.316 -17.697 1.00 52.24 H new ATOM 0 HE ARG A 27 24.624 -14.534 -17.098 1.00 31.33 H new ATOM 0 HH11 ARG A 27 21.325 -14.381 -15.853 1.00 21.44 H new ATOM 0 HH12 ARG A 27 21.607 -12.881 -14.964 1.00 21.44 H new ATOM 0 HH21 ARG A 27 24.978 -12.607 -15.956 1.00 63.22 H new ATOM 0 HH22 ARG A 27 23.667 -11.880 -15.022 1.00 63.22 H new ATOM 433 N ARG A 28 22.065 -20.129 -17.033 1.00 43.11 N ATOM 434 CA ARG A 28 22.382 -21.471 -16.559 1.00 2.52 C ATOM 435 C ARG A 28 23.681 -21.472 -15.758 1.00 22.11 C ATOM 436 O ARG A 28 23.818 -22.204 -14.778 1.00 62.24 O ATOM 437 CB ARG A 28 22.497 -22.437 -17.740 1.00 42.41 C ATOM 438 CG ARG A 28 23.364 -21.913 -18.874 1.00 2.52 C ATOM 439 CD ARG A 28 22.553 -21.700 -20.142 1.00 0.40 C ATOM 440 NE ARG A 28 22.970 -20.501 -20.864 1.00 0.25 N ATOM 441 CZ ARG A 28 22.654 -20.259 -22.132 1.00 3.54 C ATOM 442 NH1 ARG A 28 21.921 -21.129 -22.813 1.00 52.00 N1+ ATOM 443 NH2 ARG A 28 23.072 -19.145 -22.720 1.00 73.13 N ATOM 0 H ARG A 28 22.770 -19.721 -17.647 1.00 43.11 H new ATOM 0 HA ARG A 28 21.573 -21.800 -15.906 1.00 2.52 H new ATOM 0 HB2 ARG A 28 22.909 -23.382 -17.386 1.00 42.41 H new ATOM 0 HB3 ARG A 28 21.499 -22.648 -18.125 1.00 42.41 H new ATOM 0 HG2 ARG A 28 23.827 -20.973 -18.575 1.00 2.52 H new ATOM 0 HG3 ARG A 28 24.172 -22.618 -19.071 1.00 2.52 H new ATOM 0 HD2 ARG A 28 22.660 -22.569 -20.791 1.00 0.40 H new ATOM 0 HD3 ARG A 28 21.496 -21.620 -19.887 1.00 0.40 H new ATOM 0 HE ARG A 28 23.535 -19.812 -20.368 1.00 0.25 H new ATOM 0 HH11 ARG A 28 21.598 -21.986 -22.364 1.00 52.00 H new ATOM 0 HH12 ARG A 28 21.680 -20.941 -23.786 1.00 52.00 H new ATOM 0 HH21 ARG A 28 23.636 -18.474 -22.199 1.00 73.13 H new ATOM 0 HH22 ARG A 28 22.829 -18.960 -23.693 1.00 73.13 H new ATOM 457 N HIS A 29 24.633 -20.648 -16.184 1.00 34.43 N ATOM 458 CA HIS A 29 25.922 -20.553 -15.506 1.00 5.34 C ATOM 459 C HIS A 29 25.814 -19.690 -14.253 1.00 60.13 C ATOM 460 O HIS A 29 26.589 -19.849 -13.310 1.00 45.11 O ATOM 461 CB HIS A 29 26.976 -19.974 -16.450 1.00 0.11 C ATOM 462 CG HIS A 29 26.836 -18.500 -16.671 1.00 24.13 C ATOM 463 ND1 HIS A 29 26.325 -17.959 -17.832 1.00 73.30 N ATOM 464 CD2 HIS A 29 27.143 -17.452 -15.872 1.00 14.44 C ATOM 465 CE1 HIS A 29 26.325 -16.640 -17.738 1.00 50.01 C ATOM 466 NE2 HIS A 29 26.816 -16.308 -16.558 1.00 1.05 N ATOM 0 H HIS A 29 24.537 -20.037 -16.995 1.00 34.43 H new ATOM 0 HA HIS A 29 26.224 -21.557 -15.209 1.00 5.34 H new ATOM 0 HB2 HIS A 29 27.967 -20.180 -16.045 1.00 0.11 H new ATOM 0 HB3 HIS A 29 26.912 -20.485 -17.411 1.00 0.11 H new ATOM 0 HD2 HIS A 29 27.566 -17.505 -14.880 1.00 14.44 H new ATOM 0 HE1 HIS A 29 25.982 -15.952 -18.497 1.00 50.01 H new ATOM 0 HE2 HIS A 29 26.933 -15.356 -16.212 1.00 1.05 H new ATOM 474 N SER A 30 24.849 -18.777 -14.250 1.00 51.21 N ATOM 475 CA SER A 30 24.643 -17.885 -13.114 1.00 2.20 C ATOM 476 C SER A 30 23.156 -17.700 -12.831 1.00 21.10 C ATOM 477 O SER A 30 22.306 -18.115 -13.619 1.00 1.23 O ATOM 478 CB SER A 30 25.297 -16.527 -13.380 1.00 61.21 C ATOM 479 OG SER A 30 26.636 -16.507 -12.919 1.00 2.24 O ATOM 0 H SER A 30 24.197 -18.635 -15.021 1.00 51.21 H new ATOM 0 HA SER A 30 25.107 -18.339 -12.238 1.00 2.20 H new ATOM 0 HB2 SER A 30 25.274 -16.312 -14.448 1.00 61.21 H new ATOM 0 HB3 SER A 30 24.727 -15.742 -12.884 1.00 61.21 H new ATOM 0 HG SER A 30 27.032 -15.629 -13.102 1.00 2.24 H new ATOM 485 N PHE A 31 22.848 -17.074 -11.701 1.00 74.44 N ATOM 486 CA PHE A 31 21.464 -16.834 -11.310 1.00 15.34 C ATOM 487 C PHE A 31 20.800 -15.831 -12.250 1.00 41.21 C ATOM 488 O PHE A 31 21.358 -14.773 -12.538 1.00 41.32 O ATOM 489 CB PHE A 31 21.399 -16.321 -9.871 1.00 25.20 C ATOM 490 CG PHE A 31 22.095 -15.006 -9.671 1.00 42.32 C ATOM 491 CD1 PHE A 31 23.440 -14.961 -9.342 1.00 55.24 C ATOM 492 CD2 PHE A 31 21.403 -13.812 -9.811 1.00 32.25 C ATOM 493 CE1 PHE A 31 24.084 -13.752 -9.158 1.00 41.41 C ATOM 494 CE2 PHE A 31 22.043 -12.601 -9.628 1.00 32.13 C ATOM 495 CZ PHE A 31 23.384 -12.570 -9.300 1.00 42.13 C ATOM 0 H PHE A 31 23.539 -16.723 -11.038 1.00 74.44 H new ATOM 0 HA PHE A 31 20.925 -17.779 -11.375 1.00 15.34 H new ATOM 0 HB2 PHE A 31 20.354 -16.218 -9.577 1.00 25.20 H new ATOM 0 HB3 PHE A 31 21.845 -17.063 -9.209 1.00 25.20 H new ATOM 0 HD1 PHE A 31 23.992 -15.882 -9.228 1.00 55.24 H new ATOM 0 HD2 PHE A 31 20.354 -13.829 -10.066 1.00 32.25 H new ATOM 0 HE1 PHE A 31 25.133 -13.732 -8.903 1.00 41.41 H new ATOM 0 HE2 PHE A 31 21.494 -11.678 -9.742 1.00 32.13 H new ATOM 0 HZ PHE A 31 23.884 -11.624 -9.155 1.00 42.13 H new ATOM 505 N GLU A 32 19.607 -16.175 -12.725 1.00 14.44 N ATOM 506 CA GLU A 32 18.868 -15.305 -13.633 1.00 22.14 C ATOM 507 C GLU A 32 18.302 -14.098 -12.891 1.00 51.44 C ATOM 508 O GLU A 32 17.979 -14.180 -11.706 1.00 63.24 O ATOM 509 CB GLU A 32 17.735 -16.080 -14.309 1.00 52.23 C ATOM 510 CG GLU A 32 16.829 -16.809 -13.331 1.00 22.11 C ATOM 511 CD GLU A 32 15.490 -17.176 -13.939 1.00 4.05 C ATOM 512 OE1 GLU A 32 15.440 -17.420 -15.163 1.00 42.42 O ATOM 513 OE2 GLU A 32 14.491 -17.221 -13.190 1.00 23.41 O1- ATOM 0 H GLU A 32 19.132 -17.048 -12.497 1.00 14.44 H new ATOM 0 HA GLU A 32 19.560 -14.948 -14.396 1.00 22.14 H new ATOM 0 HB2 GLU A 32 17.135 -15.388 -14.901 1.00 52.23 H new ATOM 0 HB3 GLU A 32 18.164 -16.803 -15.002 1.00 52.23 H new ATOM 0 HG2 GLU A 32 17.327 -17.715 -12.986 1.00 22.11 H new ATOM 0 HG3 GLU A 32 16.666 -16.181 -12.455 1.00 22.11 H new ATOM 520 N VAL A 33 18.184 -12.978 -13.597 1.00 62.34 N ATOM 521 CA VAL A 33 17.656 -11.754 -13.007 1.00 22.01 C ATOM 522 C VAL A 33 16.715 -11.040 -13.971 1.00 53.22 C ATOM 523 O VAL A 33 16.537 -11.467 -15.112 1.00 65.03 O ATOM 524 CB VAL A 33 18.789 -10.791 -12.605 1.00 32.31 C ATOM 525 CG1 VAL A 33 19.817 -11.506 -11.743 1.00 3.23 C ATOM 526 CG2 VAL A 33 19.442 -10.192 -13.842 1.00 64.44 C ATOM 0 H VAL A 33 18.447 -12.893 -14.579 1.00 62.34 H new ATOM 0 HA VAL A 33 17.103 -12.046 -12.114 1.00 22.01 H new ATOM 0 HB VAL A 33 18.361 -9.978 -12.018 1.00 32.31 H new ATOM 0 HG11 VAL A 33 20.610 -10.810 -11.469 1.00 3.23 H new ATOM 0 HG12 VAL A 33 19.336 -11.882 -10.840 1.00 3.23 H new ATOM 0 HG13 VAL A 33 20.243 -12.340 -12.301 1.00 3.23 H new ATOM 0 HG21 VAL A 33 20.240 -9.514 -13.540 1.00 64.44 H new ATOM 0 HG22 VAL A 33 19.857 -10.990 -14.457 1.00 64.44 H new ATOM 0 HG23 VAL A 33 18.697 -9.642 -14.417 1.00 64.44 H new ATOM 536 N CYS A 34 16.116 -9.949 -13.505 1.00 44.23 N ATOM 537 CA CYS A 34 15.192 -9.175 -14.325 1.00 2.34 C ATOM 538 C CYS A 34 15.945 -8.371 -15.381 1.00 74.42 C ATOM 539 O CYS A 34 17.054 -7.893 -15.139 1.00 63.45 O ATOM 540 CB CYS A 34 14.364 -8.234 -13.447 1.00 12.11 C ATOM 541 SG CYS A 34 13.398 -9.082 -12.156 1.00 33.54 S ATOM 0 H CYS A 34 16.254 -9.581 -12.564 1.00 44.23 H new ATOM 0 HA CYS A 34 14.524 -9.871 -14.831 1.00 2.34 H new ATOM 0 HB2 CYS A 34 15.032 -7.515 -12.973 1.00 12.11 H new ATOM 0 HB3 CYS A 34 13.683 -7.667 -14.082 1.00 12.11 H new ATOM 546 N VAL A 35 15.335 -8.225 -16.553 1.00 52.22 N ATOM 547 CA VAL A 35 15.946 -7.478 -17.645 1.00 73.22 C ATOM 548 C VAL A 35 14.925 -6.582 -18.338 1.00 34.14 C ATOM 549 O VAL A 35 13.726 -6.860 -18.348 1.00 74.20 O ATOM 550 CB VAL A 35 16.575 -8.422 -18.687 1.00 22.11 C ATOM 551 CG1 VAL A 35 17.754 -9.173 -18.085 1.00 55.34 C ATOM 552 CG2 VAL A 35 15.534 -9.390 -19.226 1.00 13.23 C ATOM 0 H VAL A 35 14.418 -8.615 -16.770 1.00 52.22 H new ATOM 0 HA VAL A 35 16.729 -6.859 -17.206 1.00 73.22 H new ATOM 0 HB VAL A 35 16.944 -7.822 -19.519 1.00 22.11 H new ATOM 0 HG11 VAL A 35 18.185 -9.835 -18.836 1.00 55.34 H new ATOM 0 HG12 VAL A 35 18.509 -8.460 -17.753 1.00 55.34 H new ATOM 0 HG13 VAL A 35 17.413 -9.763 -17.234 1.00 55.34 H new ATOM 0 HG21 VAL A 35 15.996 -10.049 -19.961 1.00 13.23 H new ATOM 0 HG22 VAL A 35 15.132 -9.986 -18.406 1.00 13.23 H new ATOM 0 HG23 VAL A 35 14.726 -8.830 -19.698 1.00 13.23 H new ATOM 562 N PRO A 36 15.410 -5.482 -18.932 1.00 14.42 N ATOM 563 CA PRO A 36 14.556 -4.523 -19.639 1.00 15.12 C ATOM 564 C PRO A 36 13.994 -5.094 -20.937 1.00 33.54 C ATOM 565 O PRO A 36 14.732 -5.640 -21.757 1.00 61.25 O ATOM 566 CB PRO A 36 15.502 -3.356 -19.935 1.00 24.35 C ATOM 567 CG PRO A 36 16.861 -3.967 -19.960 1.00 33.43 C ATOM 568 CD PRO A 36 16.829 -5.089 -18.960 1.00 44.32 C ATOM 0 HA PRO A 36 13.683 -4.243 -19.049 1.00 15.12 H new ATOM 0 HB2 PRO A 36 15.262 -2.884 -20.888 1.00 24.35 H new ATOM 0 HB3 PRO A 36 15.429 -2.583 -19.170 1.00 24.35 H new ATOM 0 HG2 PRO A 36 17.104 -4.338 -20.956 1.00 33.43 H new ATOM 0 HG3 PRO A 36 17.624 -3.233 -19.699 1.00 33.43 H new ATOM 0 HD2 PRO A 36 17.469 -5.917 -19.265 1.00 44.32 H new ATOM 0 HD3 PRO A 36 17.175 -4.763 -17.979 1.00 44.32 H new ATOM 576 N ILE A 37 12.684 -4.966 -21.115 1.00 43.04 N ATOM 577 CA ILE A 37 12.023 -5.468 -22.314 1.00 30.13 C ATOM 578 C ILE A 37 12.169 -4.489 -23.474 1.00 62.14 C ATOM 579 O ILE A 37 11.934 -3.288 -23.337 1.00 13.55 O ATOM 580 CB ILE A 37 10.527 -5.732 -22.064 1.00 53.44 C ATOM 581 CG1 ILE A 37 10.348 -6.767 -20.952 1.00 32.33 C ATOM 582 CG2 ILE A 37 9.850 -6.200 -23.344 1.00 52.54 C ATOM 583 CD1 ILE A 37 9.063 -6.600 -20.172 1.00 30.21 C ATOM 0 H ILE A 37 12.059 -4.519 -20.444 1.00 43.04 H new ATOM 0 HA ILE A 37 12.511 -6.408 -22.572 1.00 30.13 H new ATOM 0 HB ILE A 37 10.057 -4.801 -21.747 1.00 53.44 H new ATOM 0 HG12 ILE A 37 10.371 -7.765 -21.389 1.00 32.33 H new ATOM 0 HG13 ILE A 37 11.192 -6.700 -20.265 1.00 32.33 H new ATOM 0 HG21 ILE A 37 8.793 -6.382 -23.151 1.00 52.54 H new ATOM 0 HG22 ILE A 37 9.951 -5.432 -24.111 1.00 52.54 H new ATOM 0 HG23 ILE A 37 10.320 -7.121 -23.688 1.00 52.54 H new ATOM 0 HD11 ILE A 37 9.003 -7.368 -19.401 1.00 30.21 H new ATOM 0 HD12 ILE A 37 9.046 -5.615 -19.706 1.00 30.21 H new ATOM 0 HD13 ILE A 37 8.213 -6.697 -20.847 1.00 30.21 H new ATOM 595 N PRO A 38 12.564 -5.012 -24.643 1.00 44.01 N ATOM 596 CA PRO A 38 12.747 -4.201 -25.851 1.00 45.20 C ATOM 597 C PRO A 38 11.425 -3.691 -26.414 1.00 54.33 C ATOM 598 O PRO A 38 10.449 -4.435 -26.501 1.00 60.25 O ATOM 599 CB PRO A 38 13.408 -5.172 -26.834 1.00 73.53 C ATOM 600 CG PRO A 38 12.980 -6.523 -26.374 1.00 4.32 C ATOM 601 CD PRO A 38 12.862 -6.434 -24.879 1.00 74.43 C ATOM 0 HA PRO A 38 13.336 -3.305 -25.654 1.00 45.20 H new ATOM 0 HB2 PRO A 38 13.085 -4.981 -27.857 1.00 73.53 H new ATOM 0 HB3 PRO A 38 14.493 -5.074 -26.819 1.00 73.53 H new ATOM 0 HG2 PRO A 38 12.028 -6.805 -26.824 1.00 4.32 H new ATOM 0 HG3 PRO A 38 13.707 -7.282 -26.663 1.00 4.32 H new ATOM 0 HD2 PRO A 38 12.069 -7.079 -24.500 1.00 74.43 H new ATOM 0 HD3 PRO A 38 13.784 -6.738 -24.385 1.00 74.43 H new ATOM 609 N GLY A 39 11.400 -2.417 -26.793 1.00 4.32 N ATOM 610 CA GLY A 39 10.192 -1.830 -27.344 1.00 65.10 C ATOM 611 C GLY A 39 9.099 -1.675 -26.305 1.00 13.00 C ATOM 612 O GLY A 39 7.956 -1.364 -26.639 1.00 24.44 O ATOM 0 H GLY A 39 12.195 -1.781 -26.728 1.00 4.32 H new ATOM 0 HA2 GLY A 39 10.427 -0.854 -27.769 1.00 65.10 H new ATOM 0 HA3 GLY A 39 9.828 -2.454 -28.160 1.00 65.10 H new ATOM 616 N PHE A 40 9.449 -1.894 -25.042 1.00 1.42 N ATOM 617 CA PHE A 40 8.488 -1.781 -23.952 1.00 63.23 C ATOM 618 C PHE A 40 7.905 -0.372 -23.885 1.00 75.24 C ATOM 619 O PHE A 40 8.590 0.611 -24.173 1.00 4.41 O ATOM 620 CB PHE A 40 9.152 -2.133 -22.619 1.00 21.42 C ATOM 621 CG PHE A 40 8.387 -1.648 -21.421 1.00 11.33 C ATOM 622 CD1 PHE A 40 7.217 -2.278 -21.027 1.00 4.14 C ATOM 623 CD2 PHE A 40 8.837 -0.560 -20.689 1.00 44.51 C ATOM 624 CE1 PHE A 40 6.512 -1.834 -19.925 1.00 25.44 C ATOM 625 CE2 PHE A 40 8.135 -0.113 -19.586 1.00 1.00 C ATOM 626 CZ PHE A 40 6.970 -0.749 -19.204 1.00 62.30 C ATOM 0 H PHE A 40 10.391 -2.151 -24.748 1.00 1.42 H new ATOM 0 HA PHE A 40 7.677 -2.483 -24.143 1.00 63.23 H new ATOM 0 HB2 PHE A 40 9.266 -3.215 -22.554 1.00 21.42 H new ATOM 0 HB3 PHE A 40 10.154 -1.705 -22.597 1.00 21.42 H new ATOM 0 HD1 PHE A 40 6.852 -3.126 -21.588 1.00 4.14 H new ATOM 0 HD2 PHE A 40 9.746 -0.057 -20.984 1.00 44.51 H new ATOM 0 HE1 PHE A 40 5.603 -2.335 -19.627 1.00 25.44 H new ATOM 0 HE2 PHE A 40 8.497 0.734 -19.022 1.00 1.00 H new ATOM 0 HZ PHE A 40 6.419 -0.399 -18.344 1.00 62.30 H new ATOM 636 N CYS A 41 6.635 -0.280 -23.506 1.00 41.12 N ATOM 637 CA CYS A 41 5.958 1.007 -23.403 1.00 52.51 C ATOM 638 C CYS A 41 4.814 0.940 -22.395 1.00 43.12 C ATOM 639 O CYS A 41 4.673 -0.039 -21.662 1.00 21.44 O ATOM 640 CB CYS A 41 5.424 1.438 -24.770 1.00 65.44 C ATOM 641 SG CYS A 41 4.042 0.421 -25.382 1.00 51.34 S ATOM 0 H CYS A 41 6.053 -1.082 -23.265 1.00 41.12 H new ATOM 0 HA CYS A 41 6.683 1.744 -23.056 1.00 52.51 H new ATOM 0 HB2 CYS A 41 5.098 2.476 -24.710 1.00 65.44 H new ATOM 0 HB3 CYS A 41 6.238 1.400 -25.494 1.00 65.44 H new ATOM 646 N LEU A 42 3.997 1.988 -22.365 1.00 12.45 N ATOM 647 CA LEU A 42 2.864 2.049 -21.449 1.00 22.41 C ATOM 648 C LEU A 42 1.566 2.320 -22.205 1.00 51.03 C ATOM 649 O LEU A 42 1.579 2.577 -23.408 1.00 23.33 O ATOM 650 CB LEU A 42 3.092 3.136 -20.398 1.00 3.12 C ATOM 651 CG LEU A 42 4.477 3.167 -19.753 1.00 35.22 C ATOM 652 CD1 LEU A 42 4.617 4.380 -18.847 1.00 14.43 C ATOM 653 CD2 LEU A 42 4.732 1.884 -18.975 1.00 64.35 C ATOM 0 H LEU A 42 4.099 2.807 -22.965 1.00 12.45 H new ATOM 0 HA LEU A 42 2.778 1.083 -20.951 1.00 22.41 H new ATOM 0 HB2 LEU A 42 2.907 4.105 -20.861 1.00 3.12 H new ATOM 0 HB3 LEU A 42 2.349 3.013 -19.610 1.00 3.12 H new ATOM 0 HG LEU A 42 5.223 3.243 -20.544 1.00 35.22 H new ATOM 0 HD11 LEU A 42 5.610 4.385 -18.397 1.00 14.43 H new ATOM 0 HD12 LEU A 42 4.479 5.289 -19.432 1.00 14.43 H new ATOM 0 HD13 LEU A 42 3.862 4.337 -18.062 1.00 14.43 H new ATOM 0 HD21 LEU A 42 5.723 1.924 -18.523 1.00 64.35 H new ATOM 0 HD22 LEU A 42 3.980 1.777 -18.193 1.00 64.35 H new ATOM 0 HD23 LEU A 42 4.676 1.031 -19.651 1.00 64.35 H new ATOM 665 N VAL A 43 0.448 2.262 -21.490 1.00 43.30 N ATOM 666 CA VAL A 43 -0.858 2.503 -22.091 1.00 31.01 C ATOM 667 C VAL A 43 -1.518 3.740 -21.492 1.00 54.02 C ATOM 668 O VAL A 43 -0.923 4.441 -20.673 1.00 1.44 O ATOM 669 CB VAL A 43 -1.794 1.294 -21.907 1.00 21.11 C ATOM 670 CG1 VAL A 43 -1.295 0.105 -22.711 1.00 24.03 C ATOM 671 CG2 VAL A 43 -1.918 0.937 -20.433 1.00 2.01 C ATOM 0 H VAL A 43 0.420 2.050 -20.493 1.00 43.30 H new ATOM 0 HA VAL A 43 -0.691 2.663 -23.156 1.00 31.01 H new ATOM 0 HB VAL A 43 -2.783 1.563 -22.278 1.00 21.11 H new ATOM 0 HG11 VAL A 43 -1.969 -0.739 -22.568 1.00 24.03 H new ATOM 0 HG12 VAL A 43 -1.262 0.369 -23.768 1.00 24.03 H new ATOM 0 HG13 VAL A 43 -0.295 -0.168 -22.374 1.00 24.03 H new ATOM 0 HG21 VAL A 43 -2.583 0.081 -20.321 1.00 2.01 H new ATOM 0 HG22 VAL A 43 -0.934 0.687 -20.035 1.00 2.01 H new ATOM 0 HG23 VAL A 43 -2.326 1.787 -19.886 1.00 2.01 H new ATOM 681 N LYS A 44 -2.753 4.003 -21.906 1.00 2.34 N ATOM 682 CA LYS A 44 -3.498 5.154 -21.409 1.00 53.21 C ATOM 683 C LYS A 44 -4.140 4.847 -20.060 1.00 52.14 C ATOM 684 O LYS A 44 -4.857 5.676 -19.500 1.00 22.22 O ATOM 685 CB LYS A 44 -4.574 5.564 -22.417 1.00 61.32 C ATOM 686 CG LYS A 44 -5.721 4.573 -22.520 1.00 71.24 C ATOM 687 CD LYS A 44 -5.919 4.096 -23.949 1.00 71.12 C ATOM 688 CE LYS A 44 -5.197 2.783 -24.204 1.00 11.52 C ATOM 689 NZ LYS A 44 -3.883 2.993 -24.874 1.00 43.31 N1+ ATOM 0 H LYS A 44 -3.259 3.434 -22.585 1.00 2.34 H new ATOM 0 HA LYS A 44 -2.798 5.979 -21.278 1.00 53.21 H new ATOM 0 HB2 LYS A 44 -4.972 6.539 -22.135 1.00 61.32 H new ATOM 0 HB3 LYS A 44 -4.115 5.679 -23.399 1.00 61.32 H new ATOM 0 HG2 LYS A 44 -5.523 3.718 -21.874 1.00 71.24 H new ATOM 0 HG3 LYS A 44 -6.639 5.038 -22.160 1.00 71.24 H new ATOM 0 HD2 LYS A 44 -6.983 3.971 -24.148 1.00 71.12 H new ATOM 0 HD3 LYS A 44 -5.552 4.854 -24.641 1.00 71.12 H new ATOM 0 HE2 LYS A 44 -5.043 2.263 -23.258 1.00 11.52 H new ATOM 0 HE3 LYS A 44 -5.822 2.139 -24.823 1.00 11.52 H new ATOM 0 HZ1 LYS A 44 -3.253 2.194 -24.660 1.00 43.31 H new ATOM 0 HZ2 LYS A 44 -4.024 3.057 -25.902 1.00 43.31 H new ATOM 0 HZ3 LYS A 44 -3.454 3.875 -24.528 1.00 43.31 H new ATOM 703 N TRP A 45 -3.876 3.652 -19.544 1.00 61.52 N ATOM 704 CA TRP A 45 -4.427 3.237 -18.259 1.00 74.50 C ATOM 705 C TRP A 45 -3.317 2.833 -17.295 1.00 42.02 C ATOM 706 O TRP A 45 -3.558 2.131 -16.313 1.00 73.52 O ATOM 707 CB TRP A 45 -5.400 2.072 -18.451 1.00 42.20 C ATOM 708 CG TRP A 45 -6.615 2.438 -19.248 1.00 43.15 C ATOM 709 CD1 TRP A 45 -6.921 2.025 -20.514 1.00 21.34 C ATOM 710 CD2 TRP A 45 -7.686 3.294 -18.834 1.00 53.41 C ATOM 711 NE1 TRP A 45 -8.117 2.573 -20.910 1.00 41.43 N ATOM 712 CE2 TRP A 45 -8.607 3.354 -19.898 1.00 25.41 C ATOM 713 CE3 TRP A 45 -7.957 4.014 -17.668 1.00 1.32 C ATOM 714 CZ2 TRP A 45 -9.776 4.106 -19.828 1.00 64.03 C ATOM 715 CZ3 TRP A 45 -9.118 4.760 -17.599 1.00 34.23 C ATOM 716 CH2 TRP A 45 -10.017 4.801 -18.674 1.00 24.53 C ATOM 0 H TRP A 45 -3.285 2.954 -19.995 1.00 61.52 H new ATOM 0 HA TRP A 45 -4.964 4.084 -17.832 1.00 74.50 H new ATOM 0 HB2 TRP A 45 -4.881 1.253 -18.949 1.00 42.20 H new ATOM 0 HB3 TRP A 45 -5.713 1.704 -17.474 1.00 42.20 H new ATOM 0 HD1 TRP A 45 -6.313 1.365 -21.115 1.00 21.34 H new ATOM 0 HE1 TRP A 45 -8.567 2.422 -21.813 1.00 41.43 H new ATOM 0 HE3 TRP A 45 -7.271 3.988 -16.835 1.00 1.32 H new ATOM 0 HZ2 TRP A 45 -10.469 4.140 -20.656 1.00 64.03 H new ATOM 0 HZ3 TRP A 45 -9.337 5.321 -16.702 1.00 34.23 H new ATOM 0 HH2 TRP A 45 -10.917 5.392 -18.590 1.00 24.53 H new ATOM 727 N LYS A 46 -2.099 3.282 -17.580 1.00 42.21 N ATOM 728 CA LYS A 46 -0.951 2.970 -16.738 1.00 51.21 C ATOM 729 C LYS A 46 -0.351 4.240 -16.143 1.00 0.41 C ATOM 730 O LYS A 46 -0.422 5.311 -16.746 1.00 73.52 O ATOM 731 CB LYS A 46 0.111 2.220 -17.546 1.00 62.45 C ATOM 732 CG LYS A 46 -0.178 0.738 -17.701 1.00 61.44 C ATOM 733 CD LYS A 46 0.724 -0.103 -16.812 1.00 44.12 C ATOM 734 CE LYS A 46 1.145 -1.390 -17.504 1.00 21.31 C ATOM 735 NZ LYS A 46 1.748 -2.361 -16.548 1.00 41.31 N1+ ATOM 0 H LYS A 46 -1.882 3.864 -18.389 1.00 42.21 H new ATOM 0 HA LYS A 46 -1.293 2.334 -15.921 1.00 51.21 H new ATOM 0 HB2 LYS A 46 0.189 2.672 -18.535 1.00 62.45 H new ATOM 0 HB3 LYS A 46 1.079 2.344 -17.061 1.00 62.45 H new ATOM 0 HG2 LYS A 46 -1.221 0.542 -17.452 1.00 61.44 H new ATOM 0 HG3 LYS A 46 -0.039 0.446 -18.742 1.00 61.44 H new ATOM 0 HD2 LYS A 46 1.609 0.473 -16.542 1.00 44.12 H new ATOM 0 HD3 LYS A 46 0.203 -0.341 -15.885 1.00 44.12 H new ATOM 0 HE2 LYS A 46 0.279 -1.844 -17.985 1.00 21.31 H new ATOM 0 HE3 LYS A 46 1.863 -1.161 -18.291 1.00 21.31 H new ATOM 0 HZ1 LYS A 46 2.022 -3.225 -17.058 1.00 41.31 H new ATOM 0 HZ2 LYS A 46 2.589 -1.937 -16.107 1.00 41.31 H new ATOM 0 HZ3 LYS A 46 1.054 -2.599 -15.811 1.00 41.31 H new ATOM 749 N GLN A 47 0.241 4.113 -14.960 1.00 64.53 N ATOM 750 CA GLN A 47 0.854 5.251 -14.286 1.00 74.13 C ATOM 751 C GLN A 47 1.922 5.893 -15.165 1.00 13.14 C ATOM 752 O GLN A 47 2.690 5.200 -15.834 1.00 23.10 O ATOM 753 CB GLN A 47 1.467 4.813 -12.955 1.00 24.11 C ATOM 754 CG GLN A 47 0.628 5.191 -11.745 1.00 62.21 C ATOM 755 CD GLN A 47 0.789 4.215 -10.596 1.00 72.54 C ATOM 756 OE1 GLN A 47 1.858 3.636 -10.403 1.00 23.43 O ATOM 757 NE2 GLN A 47 -0.276 4.029 -9.824 1.00 45.00 N ATOM 0 H GLN A 47 0.309 3.233 -14.448 1.00 64.53 H new ATOM 0 HA GLN A 47 0.076 5.990 -14.093 1.00 74.13 H new ATOM 0 HB2 GLN A 47 1.606 3.732 -12.967 1.00 24.11 H new ATOM 0 HB3 GLN A 47 2.456 5.261 -12.855 1.00 24.11 H new ATOM 0 HG2 GLN A 47 0.909 6.190 -11.411 1.00 62.21 H new ATOM 0 HG3 GLN A 47 -0.422 5.235 -12.035 1.00 62.21 H new ATOM 0 HE21 GLN A 47 -1.142 4.530 -10.021 1.00 45.00 H new ATOM 0 HE22 GLN A 47 -0.227 3.385 -9.034 1.00 45.00 H new ATOM 766 N CYS A 48 1.966 7.221 -15.159 1.00 31.24 N ATOM 767 CA CYS A 48 2.940 7.957 -15.956 1.00 22.31 C ATOM 768 C CYS A 48 4.086 8.462 -15.085 1.00 55.30 C ATOM 769 O CYS A 48 5.175 8.753 -15.581 1.00 50.32 O ATOM 770 CB CYS A 48 2.265 9.135 -16.663 1.00 73.10 C ATOM 771 SG CYS A 48 2.028 10.600 -15.605 1.00 25.31 S ATOM 0 H CYS A 48 1.338 7.809 -14.611 1.00 31.24 H new ATOM 0 HA CYS A 48 3.348 7.277 -16.704 1.00 22.31 H new ATOM 0 HB2 CYS A 48 2.865 9.418 -17.528 1.00 73.10 H new ATOM 0 HB3 CYS A 48 1.295 8.811 -17.040 1.00 73.10 H new ATOM 776 N ASP A 49 3.833 8.563 -13.785 1.00 45.13 N ATOM 777 CA ASP A 49 4.844 9.030 -12.843 1.00 34.44 C ATOM 778 C ASP A 49 6.149 8.263 -13.022 1.00 31.03 C ATOM 779 O ASP A 49 6.200 7.049 -12.829 1.00 25.13 O ATOM 780 CB ASP A 49 4.342 8.879 -11.406 1.00 20.02 C ATOM 781 CG ASP A 49 5.420 9.172 -10.382 1.00 23.14 C ATOM 782 OD1 ASP A 49 6.259 10.062 -10.640 1.00 10.54 O1- ATOM 783 OD2 ASP A 49 5.426 8.512 -9.322 1.00 41.44 O ATOM 0 H ASP A 49 2.937 8.328 -13.359 1.00 45.13 H new ATOM 0 HA ASP A 49 5.033 10.084 -13.044 1.00 34.44 H new ATOM 0 HB2 ASP A 49 3.500 9.553 -11.246 1.00 20.02 H new ATOM 0 HB3 ASP A 49 3.971 7.865 -11.259 1.00 20.02 H new ATOM 788 N GLY A 50 7.207 8.981 -13.393 1.00 64.44 N ATOM 789 CA GLY A 50 8.498 8.350 -13.593 1.00 42.12 C ATOM 790 C GLY A 50 8.697 7.875 -15.019 1.00 40.31 C ATOM 791 O GLY A 50 9.817 7.870 -15.528 1.00 15.21 O ATOM 0 H GLY A 50 7.192 9.987 -13.558 1.00 64.44 H new ATOM 0 HA2 GLY A 50 9.288 9.056 -13.335 1.00 42.12 H new ATOM 0 HA3 GLY A 50 8.594 7.502 -12.914 1.00 42.12 H new ATOM 795 N ARG A 51 7.607 7.473 -15.664 1.00 1.11 N ATOM 796 CA ARG A 51 7.667 6.991 -17.038 1.00 3.05 C ATOM 797 C ARG A 51 6.968 7.963 -17.986 1.00 2.25 C ATOM 798 O ARG A 51 6.310 7.547 -18.940 1.00 3.34 O ATOM 799 CB ARG A 51 7.024 5.607 -17.145 1.00 51.11 C ATOM 800 CG ARG A 51 7.690 4.558 -16.270 1.00 20.31 C ATOM 801 CD ARG A 51 9.131 4.313 -16.692 1.00 11.03 C ATOM 802 NE ARG A 51 10.068 5.161 -15.960 1.00 71.21 N ATOM 803 CZ ARG A 51 10.384 4.976 -14.684 1.00 71.51 C ATOM 804 NH1 ARG A 51 9.842 3.977 -14.002 1.00 5.32 N1+ ATOM 805 NH2 ARG A 51 11.244 5.791 -14.087 1.00 71.12 N ATOM 0 H ARG A 51 6.672 7.472 -15.257 1.00 1.11 H new ATOM 0 HA ARG A 51 8.716 6.920 -17.326 1.00 3.05 H new ATOM 0 HB2 ARG A 51 5.972 5.682 -16.871 1.00 51.11 H new ATOM 0 HB3 ARG A 51 7.060 5.278 -18.184 1.00 51.11 H new ATOM 0 HG2 ARG A 51 7.665 4.881 -15.229 1.00 20.31 H new ATOM 0 HG3 ARG A 51 7.129 3.625 -16.328 1.00 20.31 H new ATOM 0 HD2 ARG A 51 9.384 3.266 -16.526 1.00 11.03 H new ATOM 0 HD3 ARG A 51 9.232 4.500 -17.761 1.00 11.03 H new ATOM 0 HE ARG A 51 10.504 5.938 -16.457 1.00 71.21 H new ATOM 0 HH11 ARG A 51 9.180 3.348 -14.458 1.00 5.32 H new ATOM 0 HH12 ARG A 51 10.086 3.837 -13.022 1.00 5.32 H new ATOM 0 HH21 ARG A 51 11.663 6.561 -14.609 1.00 71.12 H new ATOM 0 HH22 ARG A 51 11.486 5.648 -13.107 1.00 71.12 H new ATOM 819 N GLU A 52 7.117 9.255 -17.716 1.00 24.42 N ATOM 820 CA GLU A 52 6.499 10.284 -18.544 1.00 31.15 C ATOM 821 C GLU A 52 7.056 10.247 -19.965 1.00 45.14 C ATOM 822 O GLU A 52 6.467 10.808 -20.888 1.00 54.45 O ATOM 823 CB GLU A 52 6.727 11.668 -17.931 1.00 70.10 C ATOM 824 CG GLU A 52 8.176 12.119 -17.971 1.00 13.21 C ATOM 825 CD GLU A 52 8.470 13.226 -16.976 1.00 41.43 C ATOM 826 OE1 GLU A 52 7.543 14.001 -16.661 1.00 61.42 O ATOM 827 OE2 GLU A 52 9.626 13.316 -16.511 1.00 51.44 O1- ATOM 0 H GLU A 52 7.660 9.615 -16.931 1.00 24.42 H new ATOM 0 HA GLU A 52 5.428 10.085 -18.587 1.00 31.15 H new ATOM 0 HB2 GLU A 52 6.114 12.397 -18.461 1.00 70.10 H new ATOM 0 HB3 GLU A 52 6.387 11.658 -16.896 1.00 70.10 H new ATOM 0 HG2 GLU A 52 8.824 11.267 -17.763 1.00 13.21 H new ATOM 0 HG3 GLU A 52 8.417 12.465 -18.976 1.00 13.21 H new ATOM 834 N ARG A 53 8.194 9.580 -20.129 1.00 4.13 N ATOM 835 CA ARG A 53 8.832 9.470 -21.436 1.00 53.25 C ATOM 836 C ARG A 53 9.055 8.008 -21.811 1.00 61.40 C ATOM 837 O ARG A 53 9.956 7.686 -22.586 1.00 72.20 O ATOM 838 CB ARG A 53 10.166 10.218 -21.440 1.00 72.43 C ATOM 839 CG ARG A 53 10.082 11.618 -20.852 1.00 65.33 C ATOM 840 CD ARG A 53 11.324 12.432 -21.172 1.00 3.24 C ATOM 841 NE ARG A 53 11.099 13.866 -20.999 1.00 34.41 N ATOM 842 CZ ARG A 53 11.997 14.793 -21.311 1.00 52.53 C ATOM 843 NH1 ARG A 53 13.174 14.441 -21.808 1.00 75.13 N1+ ATOM 844 NH2 ARG A 53 11.718 16.077 -21.125 1.00 14.35 N ATOM 0 H ARG A 53 8.693 9.108 -19.375 1.00 4.13 H new ATOM 0 HA ARG A 53 8.169 9.919 -22.175 1.00 53.25 H new ATOM 0 HB2 ARG A 53 10.899 9.640 -20.877 1.00 72.43 H new ATOM 0 HB3 ARG A 53 10.532 10.285 -22.464 1.00 72.43 H new ATOM 0 HG2 ARG A 53 9.201 12.126 -21.245 1.00 65.33 H new ATOM 0 HG3 ARG A 53 9.957 11.553 -19.771 1.00 65.33 H new ATOM 0 HD2 ARG A 53 12.143 12.113 -20.527 1.00 3.24 H new ATOM 0 HD3 ARG A 53 11.632 12.235 -22.199 1.00 3.24 H new ATOM 0 HE ARG A 53 10.203 14.171 -20.618 1.00 34.41 H new ATOM 0 HH11 ARG A 53 13.393 13.455 -21.952 1.00 75.13 H new ATOM 0 HH12 ARG A 53 13.861 15.156 -22.047 1.00 75.13 H new ATOM 0 HH21 ARG A 53 10.813 16.352 -20.742 1.00 14.35 H new ATOM 0 HH22 ARG A 53 12.408 16.789 -21.365 1.00 14.35 H new ATOM 858 N ASP A 54 8.229 7.128 -21.256 1.00 54.44 N ATOM 859 CA ASP A 54 8.335 5.700 -21.532 1.00 31.21 C ATOM 860 C ASP A 54 7.073 5.183 -22.215 1.00 61.13 C ATOM 861 O ASP A 54 7.101 4.161 -22.901 1.00 60.01 O ATOM 862 CB ASP A 54 8.584 4.926 -20.237 1.00 61.24 C ATOM 863 CG ASP A 54 9.654 3.863 -20.393 1.00 62.32 C ATOM 864 OD1 ASP A 54 9.349 2.795 -20.963 1.00 42.43 O1- ATOM 865 OD2 ASP A 54 10.795 4.099 -19.946 1.00 42.13 O ATOM 0 H ASP A 54 7.479 7.378 -20.612 1.00 54.44 H new ATOM 0 HA ASP A 54 9.178 5.547 -22.205 1.00 31.21 H new ATOM 0 HB2 ASP A 54 8.880 5.622 -19.452 1.00 61.24 H new ATOM 0 HB3 ASP A 54 7.655 4.457 -19.913 1.00 61.24 H new ATOM 870 N CYS A 55 5.968 5.894 -22.021 1.00 51.44 N ATOM 871 CA CYS A 55 4.695 5.507 -22.616 1.00 52.31 C ATOM 872 C CYS A 55 4.846 5.264 -24.115 1.00 63.35 C ATOM 873 O CYS A 55 5.856 5.633 -24.716 1.00 61.14 O ATOM 874 CB CYS A 55 3.642 6.589 -22.367 1.00 15.01 C ATOM 875 SG CYS A 55 3.419 7.021 -20.612 1.00 50.34 S ATOM 0 H CYS A 55 5.928 6.742 -21.456 1.00 51.44 H new ATOM 0 HA CYS A 55 4.371 4.578 -22.146 1.00 52.31 H new ATOM 0 HB2 CYS A 55 3.922 7.487 -22.918 1.00 15.01 H new ATOM 0 HB3 CYS A 55 2.688 6.252 -22.771 1.00 15.01 H new ATOM 880 N CYS A 56 3.836 4.641 -24.713 1.00 32.14 N ATOM 881 CA CYS A 56 3.855 4.348 -26.140 1.00 3.14 C ATOM 882 C CYS A 56 3.797 5.634 -26.961 1.00 52.12 C ATOM 883 O CYS A 56 3.742 6.733 -26.408 1.00 1.22 O ATOM 884 CB CYS A 56 2.681 3.441 -26.512 1.00 72.45 C ATOM 885 SG CYS A 56 3.099 1.668 -26.563 1.00 3.31 S ATOM 0 H CYS A 56 2.993 4.329 -24.230 1.00 32.14 H new ATOM 0 HA CYS A 56 4.789 3.834 -26.367 1.00 3.14 H new ATOM 0 HB2 CYS A 56 1.876 3.593 -25.793 1.00 72.45 H new ATOM 0 HB3 CYS A 56 2.298 3.741 -27.487 1.00 72.45 H new ATOM 890 N ALA A 57 3.809 5.488 -28.281 1.00 24.11 N ATOM 891 CA ALA A 57 3.755 6.637 -29.177 1.00 42.23 C ATOM 892 C ALA A 57 2.373 7.281 -29.162 1.00 72.42 C ATOM 893 O ALA A 57 1.362 6.606 -29.348 1.00 32.44 O ATOM 894 CB ALA A 57 4.130 6.221 -30.592 1.00 3.21 C ATOM 0 H ALA A 57 3.856 4.586 -28.754 1.00 24.11 H new ATOM 0 HA ALA A 57 4.475 7.375 -28.824 1.00 42.23 H new ATOM 0 HB1 ALA A 57 4.085 7.089 -31.250 1.00 3.21 H new ATOM 0 HB2 ALA A 57 5.141 5.814 -30.596 1.00 3.21 H new ATOM 0 HB3 ALA A 57 3.432 5.462 -30.945 1.00 3.21 H new ATOM 900 N GLY A 58 2.339 8.591 -28.938 1.00 45.51 N ATOM 901 CA GLY A 58 1.075 9.304 -28.902 1.00 33.35 C ATOM 902 C GLY A 58 0.586 9.545 -27.488 1.00 32.21 C ATOM 903 O GLY A 58 -0.240 10.427 -27.250 1.00 4.20 O ATOM 0 H GLY A 58 3.163 9.171 -28.781 1.00 45.51 H new ATOM 0 HA2 GLY A 58 1.186 10.260 -29.413 1.00 33.35 H new ATOM 0 HA3 GLY A 58 0.325 8.735 -29.451 1.00 33.35 H new ATOM 907 N LEU A 59 1.094 8.758 -26.545 1.00 62.12 N ATOM 908 CA LEU A 59 0.703 8.888 -25.146 1.00 12.44 C ATOM 909 C LEU A 59 1.462 10.025 -24.472 1.00 51.41 C ATOM 910 O LEU A 59 2.377 10.604 -25.055 1.00 13.31 O ATOM 911 CB LEU A 59 0.957 7.576 -24.401 1.00 0.22 C ATOM 912 CG LEU A 59 -0.070 6.466 -24.626 1.00 50.25 C ATOM 913 CD1 LEU A 59 0.316 5.216 -23.849 1.00 1.55 C ATOM 914 CD2 LEU A 59 -1.461 6.937 -24.224 1.00 50.20 C ATOM 0 H LEU A 59 1.778 8.023 -26.725 1.00 62.12 H new ATOM 0 HA LEU A 59 -0.362 9.117 -25.112 1.00 12.44 H new ATOM 0 HB2 LEU A 59 1.938 7.200 -24.692 1.00 0.22 H new ATOM 0 HB3 LEU A 59 1.002 7.791 -23.333 1.00 0.22 H new ATOM 0 HG LEU A 59 -0.084 6.220 -25.688 1.00 50.25 H new ATOM 0 HD11 LEU A 59 -0.426 4.437 -24.021 1.00 1.55 H new ATOM 0 HD12 LEU A 59 1.293 4.867 -24.184 1.00 1.55 H new ATOM 0 HD13 LEU A 59 0.358 5.448 -22.785 1.00 1.55 H new ATOM 0 HD21 LEU A 59 -2.179 6.134 -24.391 1.00 50.20 H new ATOM 0 HD22 LEU A 59 -1.462 7.211 -23.169 1.00 50.20 H new ATOM 0 HD23 LEU A 59 -1.739 7.803 -24.824 1.00 50.20 H new ATOM 926 N GLU A 60 1.076 10.338 -23.239 1.00 13.01 N ATOM 927 CA GLU A 60 1.723 11.406 -22.485 1.00 5.33 C ATOM 928 C GLU A 60 1.439 11.267 -20.992 1.00 35.33 C ATOM 929 O GLU A 60 0.581 10.485 -20.582 1.00 50.25 O ATOM 930 CB GLU A 60 1.245 12.772 -22.980 1.00 50.33 C ATOM 931 CG GLU A 60 -0.176 13.108 -22.562 1.00 41.10 C ATOM 932 CD GLU A 60 -0.887 13.994 -23.566 1.00 3.12 C ATOM 933 OE1 GLU A 60 -0.195 14.724 -24.307 1.00 52.34 O ATOM 934 OE2 GLU A 60 -2.134 13.957 -23.614 1.00 2.21 O1- ATOM 0 H GLU A 60 0.320 9.868 -22.741 1.00 13.01 H new ATOM 0 HA GLU A 60 2.799 11.326 -22.642 1.00 5.33 H new ATOM 0 HB2 GLU A 60 1.918 13.542 -22.602 1.00 50.33 H new ATOM 0 HB3 GLU A 60 1.310 12.798 -24.068 1.00 50.33 H new ATOM 0 HG2 GLU A 60 -0.741 12.185 -22.434 1.00 41.10 H new ATOM 0 HG3 GLU A 60 -0.157 13.607 -21.593 1.00 41.10 H new ATOM 941 N CYS A 61 2.167 12.031 -20.184 1.00 32.21 N ATOM 942 CA CYS A 61 1.996 11.992 -18.736 1.00 32.23 C ATOM 943 C CYS A 61 0.761 12.783 -18.314 1.00 41.14 C ATOM 944 O CYS A 61 0.814 14.004 -18.163 1.00 25.31 O ATOM 945 CB CYS A 61 3.237 12.555 -18.041 1.00 74.11 C ATOM 946 SG CYS A 61 3.435 12.005 -16.315 1.00 3.45 S ATOM 0 H CYS A 61 2.881 12.684 -20.507 1.00 32.21 H new ATOM 0 HA CYS A 61 1.860 10.952 -18.438 1.00 32.23 H new ATOM 0 HB2 CYS A 61 4.121 12.264 -18.608 1.00 74.11 H new ATOM 0 HB3 CYS A 61 3.189 13.644 -18.061 1.00 74.11 H new ATOM 951 N TRP A 62 -0.348 12.078 -18.123 1.00 31.21 N ATOM 952 CA TRP A 62 -1.596 12.713 -17.718 1.00 62.54 C ATOM 953 C TRP A 62 -1.649 12.895 -16.204 1.00 11.34 C ATOM 954 O TRP A 62 -1.439 11.947 -15.448 1.00 63.25 O ATOM 955 CB TRP A 62 -2.792 11.881 -18.185 1.00 22.53 C ATOM 956 CG TRP A 62 -4.057 12.675 -18.308 1.00 0.54 C ATOM 957 CD1 TRP A 62 -4.185 14.032 -18.217 1.00 53.01 C ATOM 958 CD2 TRP A 62 -5.372 12.161 -18.543 1.00 52.14 C ATOM 959 NE1 TRP A 62 -5.501 14.392 -18.380 1.00 22.43 N ATOM 960 CE2 TRP A 62 -6.250 13.263 -18.583 1.00 12.12 C ATOM 961 CE3 TRP A 62 -5.894 10.878 -18.725 1.00 70.44 C ATOM 962 CZ2 TRP A 62 -7.618 13.117 -18.796 1.00 63.23 C ATOM 963 CZ3 TRP A 62 -7.252 10.734 -18.936 1.00 22.24 C ATOM 964 CH2 TRP A 62 -8.102 11.849 -18.972 1.00 43.24 C ATOM 0 H TRP A 62 -0.408 11.067 -18.242 1.00 31.21 H new ATOM 0 HA TRP A 62 -1.641 13.696 -18.186 1.00 62.54 H new ATOM 0 HB2 TRP A 62 -2.558 11.432 -19.150 1.00 22.53 H new ATOM 0 HB3 TRP A 62 -2.952 11.063 -17.483 1.00 22.53 H new ATOM 0 HD1 TRP A 62 -3.371 14.721 -18.043 1.00 53.01 H new ATOM 0 HE1 TRP A 62 -5.862 15.346 -18.354 1.00 22.43 H new ATOM 0 HE3 TRP A 62 -5.247 10.013 -18.701 1.00 70.44 H new ATOM 0 HZ2 TRP A 62 -8.274 13.974 -18.821 1.00 63.23 H new ATOM 0 HZ3 TRP A 62 -7.666 9.746 -19.076 1.00 22.24 H new ATOM 0 HH2 TRP A 62 -9.159 11.704 -19.142 1.00 43.24 H new ATOM 975 N LYS A 63 -1.930 14.118 -15.769 1.00 23.40 N ATOM 976 CA LYS A 63 -2.011 14.425 -14.346 1.00 52.14 C ATOM 977 C LYS A 63 -3.463 14.450 -13.876 1.00 24.33 C ATOM 978 O LYS A 63 -4.172 15.436 -14.073 1.00 41.02 O ATOM 979 CB LYS A 63 -1.348 15.773 -14.055 1.00 44.12 C ATOM 980 CG LYS A 63 -1.084 16.015 -12.578 1.00 53.51 C ATOM 981 CD LYS A 63 -2.238 16.753 -11.921 1.00 4.40 C ATOM 982 CE LYS A 63 -2.305 18.203 -12.375 1.00 40.12 C ATOM 983 NZ LYS A 63 -1.504 19.097 -11.494 1.00 71.35 N1+ ATOM 0 H LYS A 63 -2.106 14.914 -16.382 1.00 23.40 H new ATOM 0 HA LYS A 63 -1.484 13.642 -13.801 1.00 52.14 H new ATOM 0 HB2 LYS A 63 -0.405 15.829 -14.598 1.00 44.12 H new ATOM 0 HB3 LYS A 63 -1.984 16.571 -14.437 1.00 44.12 H new ATOM 0 HG2 LYS A 63 -0.926 15.061 -12.074 1.00 53.51 H new ATOM 0 HG3 LYS A 63 -0.167 16.593 -12.461 1.00 53.51 H new ATOM 0 HD2 LYS A 63 -3.176 16.252 -12.162 1.00 4.40 H new ATOM 0 HD3 LYS A 63 -2.125 16.715 -10.837 1.00 4.40 H new ATOM 0 HE2 LYS A 63 -1.940 18.280 -13.399 1.00 40.12 H new ATOM 0 HE3 LYS A 63 -3.343 18.534 -12.381 1.00 40.12 H new ATOM 0 HZ1 LYS A 63 -1.575 20.076 -11.836 1.00 71.35 H new ATOM 0 HZ2 LYS A 63 -1.868 19.043 -10.521 1.00 71.35 H new ATOM 0 HZ3 LYS A 63 -0.508 18.797 -11.508 1.00 71.35 H new ATOM 997 N ARG A 64 -3.896 13.358 -13.254 1.00 23.41 N ATOM 998 CA ARG A 64 -5.263 13.254 -12.757 1.00 20.52 C ATOM 999 C ARG A 64 -5.278 13.099 -11.239 1.00 15.01 C ATOM 1000 O ARG A 64 -4.558 12.271 -10.682 1.00 71.20 O ATOM 1001 CB ARG A 64 -5.978 12.070 -13.409 1.00 61.21 C ATOM 1002 CG ARG A 64 -6.892 12.466 -14.558 1.00 3.44 C ATOM 1003 CD ARG A 64 -7.086 11.319 -15.536 1.00 21.45 C ATOM 1004 NE ARG A 64 -8.224 10.478 -15.175 1.00 4.33 N ATOM 1005 CZ ARG A 64 -9.487 10.804 -15.426 1.00 63.22 C ATOM 1006 NH1 ARG A 64 -9.772 11.946 -16.037 1.00 72.12 N1+ ATOM 1007 NH2 ARG A 64 -10.469 9.986 -15.068 1.00 55.42 N ATOM 0 H ARG A 64 -3.321 12.534 -13.082 1.00 23.41 H new ATOM 0 HA ARG A 64 -5.788 14.173 -13.017 1.00 20.52 H new ATOM 0 HB2 ARG A 64 -5.233 11.364 -13.776 1.00 61.21 H new ATOM 0 HB3 ARG A 64 -6.565 11.550 -12.652 1.00 61.21 H new ATOM 0 HG2 ARG A 64 -7.859 12.777 -14.164 1.00 3.44 H new ATOM 0 HG3 ARG A 64 -6.470 13.324 -15.081 1.00 3.44 H new ATOM 0 HD2 ARG A 64 -7.235 11.719 -16.539 1.00 21.45 H new ATOM 0 HD3 ARG A 64 -6.182 10.711 -15.566 1.00 21.45 H new ATOM 0 HE ARG A 64 -8.039 9.592 -14.705 1.00 4.33 H new ATOM 0 HH11 ARG A 64 -9.020 12.577 -16.316 1.00 72.12 H new ATOM 0 HH12 ARG A 64 -10.743 12.194 -16.228 1.00 72.12 H new ATOM 0 HH21 ARG A 64 -10.254 9.106 -14.599 1.00 55.42 H new ATOM 0 HH22 ARG A 64 -11.438 10.238 -15.261 1.00 55.42 H new ATOM 1021 N SER A 65 -6.104 13.902 -10.576 1.00 20.12 N ATOM 1022 CA SER A 65 -6.211 13.858 -9.122 1.00 63.33 C ATOM 1023 C SER A 65 -7.671 13.812 -8.686 1.00 1.01 C ATOM 1024 O SER A 65 -8.527 14.475 -9.272 1.00 23.41 O ATOM 1025 CB SER A 65 -5.518 15.072 -8.501 1.00 25.02 C ATOM 1026 OG SER A 65 -6.131 16.279 -8.921 1.00 51.35 O ATOM 0 H SER A 65 -6.709 14.591 -11.023 1.00 20.12 H new ATOM 0 HA SER A 65 -5.718 12.951 -8.773 1.00 63.33 H new ATOM 0 HB2 SER A 65 -5.556 15.000 -7.414 1.00 25.02 H new ATOM 0 HB3 SER A 65 -4.465 15.078 -8.783 1.00 25.02 H new ATOM 0 HG SER A 65 -5.671 17.040 -8.509 1.00 51.35 H new ATOM 1032 N GLY A 66 -7.950 13.026 -7.650 1.00 0.14 N ATOM 1033 CA GLY A 66 -9.308 12.908 -7.152 1.00 32.50 C ATOM 1034 C GLY A 66 -9.896 11.532 -7.392 1.00 23.21 C ATOM 1035 O GLY A 66 -10.766 11.083 -6.647 1.00 21.34 O ATOM 0 H GLY A 66 -7.259 12.469 -7.147 1.00 0.14 H new ATOM 0 HA2 GLY A 66 -9.320 13.123 -6.084 1.00 32.50 H new ATOM 0 HA3 GLY A 66 -9.935 13.657 -7.635 1.00 32.50 H new ATOM 1039 N ASN A 67 -9.422 10.862 -8.437 1.00 74.50 N ATOM 1040 CA ASN A 67 -9.909 9.530 -8.776 1.00 52.31 C ATOM 1041 C ASN A 67 -8.819 8.483 -8.568 1.00 13.21 C ATOM 1042 O ASN A 67 -9.101 7.335 -8.223 1.00 42.14 O ATOM 1043 CB ASN A 67 -10.396 9.495 -10.226 1.00 3.14 C ATOM 1044 CG ASN A 67 -11.865 9.847 -10.351 1.00 15.32 C ATOM 1045 OD1 ASN A 67 -12.711 9.284 -9.655 1.00 62.04 O ATOM 1046 ND2 ASN A 67 -12.176 10.779 -11.243 1.00 50.12 N ATOM 0 H ASN A 67 -8.701 11.220 -9.064 1.00 74.50 H new ATOM 0 HA ASN A 67 -10.743 9.297 -8.115 1.00 52.31 H new ATOM 0 HB2 ASN A 67 -9.806 10.192 -10.821 1.00 3.14 H new ATOM 0 HB3 ASN A 67 -10.227 8.501 -10.639 1.00 3.14 H new ATOM 0 HD21 ASN A 67 -13.149 11.055 -11.374 1.00 50.12 H new ATOM 0 HD22 ASN A 67 -11.442 11.219 -11.798 1.00 50.12 H new ATOM 1053 N LYS A 68 -7.570 8.887 -8.780 1.00 13.24 N ATOM 1054 CA LYS A 68 -6.436 7.987 -8.615 1.00 70.13 C ATOM 1055 C LYS A 68 -5.123 8.705 -8.908 1.00 24.21 C ATOM 1056 O LYS A 68 -5.108 9.908 -9.169 1.00 24.20 O ATOM 1057 CB LYS A 68 -6.582 6.773 -9.537 1.00 61.12 C ATOM 1058 CG LYS A 68 -7.060 7.126 -10.935 1.00 42.15 C ATOM 1059 CD LYS A 68 -6.461 6.201 -11.980 1.00 51.10 C ATOM 1060 CE LYS A 68 -6.946 4.770 -11.802 1.00 54.14 C ATOM 1061 NZ LYS A 68 -6.680 3.940 -13.008 1.00 5.22 N1+ ATOM 0 H LYS A 68 -7.319 9.833 -9.067 1.00 13.24 H new ATOM 0 HA LYS A 68 -6.422 7.649 -7.579 1.00 70.13 H new ATOM 0 HB2 LYS A 68 -5.621 6.264 -9.608 1.00 61.12 H new ATOM 0 HB3 LYS A 68 -7.283 6.069 -9.089 1.00 61.12 H new ATOM 0 HG2 LYS A 68 -8.148 7.065 -10.975 1.00 42.15 H new ATOM 0 HG3 LYS A 68 -6.790 8.157 -11.163 1.00 42.15 H new ATOM 0 HD2 LYS A 68 -6.727 6.555 -12.976 1.00 51.10 H new ATOM 0 HD3 LYS A 68 -5.374 6.229 -11.912 1.00 51.10 H new ATOM 0 HE2 LYS A 68 -6.452 4.324 -10.938 1.00 54.14 H new ATOM 0 HE3 LYS A 68 -8.016 4.773 -11.592 1.00 54.14 H new ATOM 0 HZ1 LYS A 68 -7.025 2.972 -12.846 1.00 5.22 H new ATOM 0 HZ2 LYS A 68 -7.172 4.351 -13.827 1.00 5.22 H new ATOM 0 HZ3 LYS A 68 -5.657 3.916 -13.194 1.00 5.22 H new ATOM 1075 N SER A 69 -4.023 7.960 -8.864 1.00 71.50 N ATOM 1076 CA SER A 69 -2.705 8.529 -9.123 1.00 14.31 C ATOM 1077 C SER A 69 -2.590 8.996 -10.572 1.00 24.23 C ATOM 1078 O SER A 69 -3.518 8.833 -11.363 1.00 73.23 O ATOM 1079 CB SER A 69 -1.615 7.499 -8.820 1.00 24.24 C ATOM 1080 OG SER A 69 -1.263 7.518 -7.448 1.00 64.42 O ATOM 0 H SER A 69 -4.018 6.962 -8.652 1.00 71.50 H new ATOM 0 HA SER A 69 -2.573 9.392 -8.470 1.00 14.31 H new ATOM 0 HB2 SER A 69 -1.964 6.504 -9.095 1.00 24.24 H new ATOM 0 HB3 SER A 69 -0.734 7.707 -9.428 1.00 24.24 H new ATOM 0 HG SER A 69 -0.566 6.850 -7.280 1.00 64.42 H new ATOM 1086 N SER A 70 -1.444 9.578 -10.909 1.00 24.02 N ATOM 1087 CA SER A 70 -1.207 10.073 -12.260 1.00 70.11 C ATOM 1088 C SER A 70 -1.097 8.919 -13.250 1.00 12.53 C ATOM 1089 O SER A 70 -0.409 7.930 -12.995 1.00 34.55 O ATOM 1090 CB SER A 70 0.068 10.918 -12.300 1.00 35.12 C ATOM 1091 OG SER A 70 -0.038 11.956 -13.259 1.00 4.53 O ATOM 0 H SER A 70 -0.665 9.718 -10.266 1.00 24.02 H new ATOM 0 HA SER A 70 -2.055 10.694 -12.547 1.00 70.11 H new ATOM 0 HB2 SER A 70 0.255 11.346 -11.315 1.00 35.12 H new ATOM 0 HB3 SER A 70 0.921 10.283 -12.539 1.00 35.12 H new ATOM 0 HG SER A 70 -0.697 11.706 -13.940 1.00 4.53 H new ATOM 1097 N VAL A 71 -1.779 9.051 -14.383 1.00 24.14 N ATOM 1098 CA VAL A 71 -1.759 8.021 -15.414 1.00 51.23 C ATOM 1099 C VAL A 71 -1.378 8.606 -16.770 1.00 35.12 C ATOM 1100 O VAL A 71 -1.156 9.811 -16.897 1.00 54.32 O ATOM 1101 CB VAL A 71 -3.125 7.320 -15.535 1.00 54.41 C ATOM 1102 CG1 VAL A 71 -3.388 6.450 -14.316 1.00 13.52 C ATOM 1103 CG2 VAL A 71 -4.234 8.345 -15.718 1.00 25.23 C ATOM 0 H VAL A 71 -2.353 9.863 -14.610 1.00 24.14 H new ATOM 0 HA VAL A 71 -1.009 7.289 -15.114 1.00 51.23 H new ATOM 0 HB VAL A 71 -3.108 6.676 -16.414 1.00 54.41 H new ATOM 0 HG11 VAL A 71 -4.358 5.963 -14.419 1.00 13.52 H new ATOM 0 HG12 VAL A 71 -2.608 5.693 -14.234 1.00 13.52 H new ATOM 0 HG13 VAL A 71 -3.387 7.070 -13.419 1.00 13.52 H new ATOM 0 HG21 VAL A 71 -5.193 7.833 -15.802 1.00 25.23 H new ATOM 0 HG22 VAL A 71 -4.255 9.016 -14.859 1.00 25.23 H new ATOM 0 HG23 VAL A 71 -4.050 8.922 -16.624 1.00 25.23 H new ATOM 1113 N CYS A 72 -1.305 7.747 -17.780 1.00 12.23 N ATOM 1114 CA CYS A 72 -0.952 8.177 -19.127 1.00 12.45 C ATOM 1115 C CYS A 72 -2.196 8.303 -20.002 1.00 40.11 C ATOM 1116 O CYS A 72 -3.202 7.634 -19.768 1.00 33.42 O ATOM 1117 CB CYS A 72 0.032 7.191 -19.759 1.00 45.13 C ATOM 1118 SG CYS A 72 1.766 7.749 -19.730 1.00 32.40 S ATOM 0 H CYS A 72 -1.486 6.747 -17.691 1.00 12.23 H new ATOM 0 HA CYS A 72 -0.479 9.156 -19.056 1.00 12.45 H new ATOM 0 HB2 CYS A 72 -0.040 6.237 -19.237 1.00 45.13 H new ATOM 0 HB3 CYS A 72 -0.263 7.012 -20.793 1.00 45.13 H new ATOM 1123 N ALA A 73 -2.118 9.164 -21.011 1.00 13.24 N ATOM 1124 CA ALA A 73 -3.237 9.375 -21.922 1.00 74.50 C ATOM 1125 C ALA A 73 -2.744 9.684 -23.332 1.00 24.12 C ATOM 1126 O ALA A 73 -1.635 10.178 -23.534 1.00 21.35 O ATOM 1127 CB ALA A 73 -4.126 10.500 -21.413 1.00 34.14 C ATOM 0 H ALA A 73 -1.293 9.726 -21.218 1.00 13.24 H new ATOM 0 HA ALA A 73 -3.821 8.455 -21.962 1.00 74.50 H new ATOM 0 HB1 ALA A 73 -4.957 10.647 -22.102 1.00 34.14 H new ATOM 0 HB2 ALA A 73 -4.513 10.240 -20.428 1.00 34.14 H new ATOM 0 HB3 ALA A 73 -3.545 11.420 -21.344 1.00 34.14 H new ATOM 1133 N PRO A 74 -3.587 9.387 -24.332 1.00 1.12 N ATOM 1134 CA PRO A 74 -3.259 9.624 -25.741 1.00 3.31 C ATOM 1135 C PRO A 74 -3.220 11.109 -26.085 1.00 22.40 C ATOM 1136 O PRO A 74 -3.560 11.956 -25.258 1.00 42.32 O ATOM 1137 CB PRO A 74 -4.399 8.931 -26.492 1.00 34.51 C ATOM 1138 CG PRO A 74 -5.537 8.927 -25.532 1.00 43.20 C ATOM 1139 CD PRO A 74 -4.925 8.796 -24.165 1.00 71.33 C ATOM 0 HA PRO A 74 -2.269 9.247 -25.998 1.00 3.31 H new ATOM 0 HB2 PRO A 74 -4.654 9.467 -27.406 1.00 34.51 H new ATOM 0 HB3 PRO A 74 -4.123 7.917 -26.783 1.00 34.51 H new ATOM 0 HG2 PRO A 74 -6.119 9.845 -25.613 1.00 43.20 H new ATOM 0 HG3 PRO A 74 -6.217 8.100 -25.736 1.00 43.20 H new ATOM 0 HD2 PRO A 74 -5.507 9.326 -23.412 1.00 71.33 H new ATOM 0 HD3 PRO A 74 -4.868 7.755 -23.849 1.00 71.33 H new ATOM 1147 N ILE A 75 -2.805 11.418 -27.308 1.00 63.22 N ATOM 1148 CA ILE A 75 -2.723 12.802 -27.762 1.00 21.04 C ATOM 1149 C ILE A 75 -4.059 13.516 -27.586 1.00 1.24 C ATOM 1150 O ILE A 75 -5.120 12.891 -27.620 1.00 71.12 O ATOM 1151 CB ILE A 75 -2.297 12.885 -29.239 1.00 11.12 C ATOM 1152 CG1 ILE A 75 -3.138 11.933 -30.090 1.00 51.41 C ATOM 1153 CG2 ILE A 75 -0.817 12.567 -29.383 1.00 51.24 C ATOM 1154 CD1 ILE A 75 -3.123 12.266 -31.565 1.00 54.32 C ATOM 0 H ILE A 75 -2.520 10.729 -28.004 1.00 63.22 H new ATOM 0 HA ILE A 75 -1.968 13.293 -27.148 1.00 21.04 H new ATOM 0 HB ILE A 75 -2.465 13.902 -29.593 1.00 11.12 H new ATOM 0 HG12 ILE A 75 -2.772 10.916 -29.952 1.00 51.41 H new ATOM 0 HG13 ILE A 75 -4.167 11.952 -29.732 1.00 51.41 H new ATOM 0 HG21 ILE A 75 -0.532 12.630 -30.433 1.00 51.24 H new ATOM 0 HG22 ILE A 75 -0.233 13.283 -28.805 1.00 51.24 H new ATOM 0 HG23 ILE A 75 -0.624 11.560 -29.014 1.00 51.24 H new ATOM 0 HD11 ILE A 75 -3.741 11.549 -32.106 1.00 54.32 H new ATOM 0 HD12 ILE A 75 -3.517 13.271 -31.715 1.00 54.32 H new ATOM 0 HD13 ILE A 75 -2.100 12.218 -31.938 1.00 54.32 H new ATOM 1166 N THR A 76 -4.000 14.832 -27.402 1.00 52.02 N ATOM 1167 CA THR A 76 -5.204 15.632 -27.224 1.00 31.24 C ATOM 1168 C THR A 76 -6.239 14.890 -26.385 1.00 33.21 C ATOM 1169 O THR A 76 -7.343 15.386 -26.161 1.00 71.35 O ATOM 1170 CB THR A 76 -5.833 16.011 -28.577 1.00 2.31 C ATOM 1171 OG1 THR A 76 -6.869 16.981 -28.382 1.00 24.25 O ATOM 1172 CG2 THR A 76 -6.404 14.785 -29.272 1.00 61.00 C ATOM 0 H THR A 76 -3.131 15.365 -27.373 1.00 52.02 H new ATOM 0 HA THR A 76 -4.904 16.542 -26.704 1.00 31.24 H new ATOM 0 HB THR A 76 -5.052 16.436 -29.208 1.00 2.31 H new ATOM 0 HG1 THR A 76 -7.352 16.782 -27.553 1.00 24.25 H new ATOM 0 HG21 THR A 76 -6.843 15.079 -30.226 1.00 61.00 H new ATOM 0 HG22 THR A 76 -5.607 14.062 -29.446 1.00 61.00 H new ATOM 0 HG23 THR A 76 -7.172 14.335 -28.643 1.00 61.00 H new TER 1180 THR A 76