USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.037 X(o=-0.037,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.985 USER MOD Single : A 13 ASN : amide:sc= -0.295 K(o=-0.29,f=-5.3!) USER MOD Single : A 14 THR OG1 : rot -138:sc= -1.8 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -138:sc= -0.108 (180deg=-1.28) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 28 ASN : amide:sc= 0.419 K(o=0.42,f=-5.1!) USER MOD Single : A 29 THR OG1 : rot 79:sc= -1.66 USER MOD Single : A 31 LYS NZ :NH3+ 155:sc= -0.226 (180deg=-1.52!) USER MOD Single : A 39 ASN : amide:sc= -6.1! C(o=-6.1!,f=-9.7!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -127:sc= 0 (180deg=-0.482) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= 0.0937 (180deg=-0.211) USER MOD Single : A 49 ASN : amide:sc= -0.854! C(o=-0.85!,f=-0.9!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0.827 (180deg=0.827) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.448 K(o=-0.45,f=-6.4!) USER MOD Single : A 57 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.55) USER MOD Single : A 62 TYR OH : rot -68:sc= 0.1 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.058) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HE2:sc= -2.61! C(o=-2.6!,f=-8.5!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.095 USER MOD Single : A 73 MET CE :methyl -174:sc= -0.257 (180deg=-0.376) USER MOD Single : A 75 SER OG : rot -25:sc= 0.878 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= -2.96! (180deg=-4.79!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 176:sc= -3.1! USER MOD Single : A 85 THR OG1 : rot 42:sc= 1.03 USER MOD Single : A 90 ASN : amide:sc= -9.53! C(o=-9.5!,f=-19!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.135 X(o=-0.13,f=0.06) USER MOD Single : A 97 HIS : no HE2:sc= -3.82 K(o=-3.8,f=-5.3!) USER MOD Single : A 98 THR OG1 : rot -5:sc= 0.503! USER MOD Single : A 99 TYR OH : rot 149:sc= 0.581 USER MOD Single : A 100 HIS : no HD1:sc= -0.129 K(o=-0.13,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 4 -0.318 23.827 -6.001 1.00 1.39 N ATOM 2 CA ASN A 4 -0.446 22.396 -5.749 1.00 1.19 C ATOM 3 C ASN A 4 0.390 21.980 -4.546 1.00 0.98 C ATOM 4 O ASN A 4 1.587 21.717 -4.672 1.00 1.50 O ATOM 5 CB ASN A 4 -0.012 21.602 -6.981 1.00 1.71 C ATOM 6 CG ASN A 4 -0.496 22.226 -8.274 1.00 1.99 C ATOM 7 OD1 ASN A 4 -1.641 22.031 -8.681 1.00 2.33 O ATOM 8 ND2 ASN A 4 0.378 22.984 -8.927 1.00 2.64 N ATOM 0 HA ASN A 4 -1.493 22.182 -5.534 1.00 1.19 H new ATOM 0 HB2 ASN A 4 1.076 21.533 -7.000 1.00 1.71 H new ATOM 0 HB3 ASN A 4 -0.395 20.584 -6.907 1.00 1.71 H new ATOM 0 HD21 ASN A 4 0.110 23.432 -9.803 1.00 2.64 H new ATOM 0 HD22 ASN A 4 1.317 23.118 -8.552 1.00 2.64 H new ATOM 15 N ASN A 5 -0.243 21.915 -3.379 1.00 0.76 N ATOM 16 CA ASN A 5 0.447 21.522 -2.155 1.00 0.53 C ATOM 17 C ASN A 5 -0.115 20.197 -1.641 1.00 0.49 C ATOM 18 O ASN A 5 -0.630 19.396 -2.418 1.00 0.60 O ATOM 19 CB ASN A 5 0.304 22.608 -1.082 1.00 0.52 C ATOM 20 CG ASN A 5 0.252 24.011 -1.660 1.00 0.63 C ATOM 21 OD1 ASN A 5 1.278 24.576 -2.039 1.00 1.19 O ATOM 22 ND2 ASN A 5 -0.946 24.578 -1.730 1.00 1.41 N ATOM 0 H ASN A 5 -1.232 22.129 -3.255 1.00 0.76 H new ATOM 0 HA ASN A 5 1.506 21.397 -2.379 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -0.603 22.425 -0.506 1.00 0.52 H new ATOM 0 HB3 ASN A 5 1.142 22.538 -0.388 1.00 0.52 H new ATOM 0 HD21 ASN A 5 -1.043 25.520 -2.110 1.00 1.41 H new ATOM 0 HD22 ASN A 5 -1.770 24.072 -1.404 1.00 1.41 H new ATOM 29 N LYS A 6 -0.019 19.967 -0.332 1.00 0.45 N ATOM 30 CA LYS A 6 -0.524 18.738 0.258 1.00 0.49 C ATOM 31 C LYS A 6 -2.031 18.815 0.481 1.00 0.49 C ATOM 32 O LYS A 6 -2.526 19.669 1.214 1.00 0.56 O ATOM 33 CB LYS A 6 0.192 18.455 1.574 1.00 0.64 C ATOM 34 CG LYS A 6 1.592 17.901 1.388 1.00 1.28 C ATOM 35 CD LYS A 6 2.530 18.949 0.811 1.00 1.76 C ATOM 36 CE LYS A 6 3.912 18.869 1.439 1.00 2.52 C ATOM 37 NZ LYS A 6 4.034 19.757 2.627 1.00 3.06 N ATOM 0 H LYS A 6 0.402 20.615 0.333 1.00 0.45 H new ATOM 0 HA LYS A 6 -0.327 17.921 -0.436 1.00 0.49 H new ATOM 0 HB2 LYS A 6 0.247 19.376 2.155 1.00 0.64 H new ATOM 0 HB3 LYS A 6 -0.398 17.746 2.155 1.00 0.64 H new ATOM 0 HG2 LYS A 6 1.978 17.553 2.346 1.00 1.28 H new ATOM 0 HG3 LYS A 6 1.558 17.036 0.725 1.00 1.28 H new ATOM 0 HD2 LYS A 6 2.611 18.811 -0.267 1.00 1.76 H new ATOM 0 HD3 LYS A 6 2.112 19.942 0.975 1.00 1.76 H new ATOM 0 HE2 LYS A 6 4.118 17.840 1.732 1.00 2.52 H new ATOM 0 HE3 LYS A 6 4.663 19.146 0.700 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 4.991 19.673 3.026 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 3.862 20.743 2.343 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 3.334 19.476 3.343 1.00 3.06 H new ATOM 51 N ARG A 7 -2.745 17.903 -0.165 1.00 0.50 N ATOM 52 CA ARG A 7 -4.194 17.829 -0.064 1.00 0.52 C ATOM 53 C ARG A 7 -4.663 16.381 -0.210 1.00 0.47 C ATOM 54 O ARG A 7 -4.396 15.723 -1.226 1.00 0.43 O ATOM 55 CB ARG A 7 -4.840 18.698 -1.142 1.00 0.57 C ATOM 56 CG ARG A 7 -4.761 20.187 -0.852 1.00 0.77 C ATOM 57 CD ARG A 7 -3.402 20.752 -1.229 1.00 0.64 C ATOM 58 NE ARG A 7 -3.509 21.823 -2.216 1.00 0.98 N ATOM 59 CZ ARG A 7 -4.105 22.987 -1.975 1.00 1.66 C ATOM 60 NH1 ARG A 7 -4.646 23.224 -0.788 1.00 2.46 N ATOM 61 NH2 ARG A 7 -4.162 23.916 -2.921 1.00 2.11 N ATOM 0 H ARG A 7 -2.335 17.194 -0.773 1.00 0.50 H new ATOM 0 HA ARG A 7 -4.495 18.198 0.917 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -4.356 18.496 -2.098 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -5.886 18.412 -1.248 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -5.541 20.709 -1.406 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -4.950 20.364 0.207 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -2.906 21.131 -0.335 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -2.775 19.954 -1.627 1.00 0.64 H new ATOM 0 HE ARG A 7 -3.105 21.670 -3.140 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -4.605 22.513 -0.058 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -5.103 24.117 -0.605 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -3.748 23.738 -3.836 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -4.620 24.808 -2.733 1.00 2.11 H new ATOM 75 N ALA A 8 -5.359 15.894 0.816 1.00 0.50 N ATOM 76 CA ALA A 8 -5.869 14.524 0.837 1.00 0.47 C ATOM 77 C ALA A 8 -6.428 14.096 -0.521 1.00 0.44 C ATOM 78 O ALA A 8 -7.218 14.819 -1.128 1.00 0.56 O ATOM 79 CB ALA A 8 -6.939 14.385 1.907 1.00 0.54 C ATOM 0 H ALA A 8 -5.584 16.434 1.651 1.00 0.50 H new ATOM 0 HA ALA A 8 -5.031 13.866 1.067 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -7.314 13.361 1.916 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -6.513 14.624 2.881 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -7.759 15.070 1.692 1.00 0.54 H new ATOM 85 N PRO A 9 -6.028 12.908 -1.017 1.00 0.36 N ATOM 86 CA PRO A 9 -6.495 12.394 -2.296 1.00 0.37 C ATOM 87 C PRO A 9 -7.791 11.600 -2.172 1.00 0.37 C ATOM 88 O PRO A 9 -7.995 10.863 -1.207 1.00 0.40 O ATOM 89 CB PRO A 9 -5.345 11.489 -2.747 1.00 0.39 C ATOM 90 CG PRO A 9 -4.630 11.073 -1.495 1.00 0.51 C ATOM 91 CD PRO A 9 -5.091 11.975 -0.373 1.00 0.41 C ATOM 0 HA PRO A 9 -6.729 13.194 -2.998 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -5.721 10.621 -3.288 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -4.673 12.019 -3.422 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -4.847 10.031 -1.260 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -3.551 11.151 -1.628 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -5.578 11.407 0.420 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -4.253 12.504 0.082 1.00 0.41 H new ATOM 99 N TYR A 10 -8.668 11.759 -3.160 1.00 0.38 N ATOM 100 CA TYR A 10 -9.949 11.063 -3.174 1.00 0.41 C ATOM 101 C TYR A 10 -9.794 9.656 -3.737 1.00 0.38 C ATOM 102 O TYR A 10 -9.047 9.440 -4.690 1.00 0.44 O ATOM 103 CB TYR A 10 -10.970 11.845 -4.004 1.00 0.49 C ATOM 104 CG TYR A 10 -11.322 13.192 -3.417 1.00 1.15 C ATOM 105 CD1 TYR A 10 -12.141 13.288 -2.299 1.00 2.02 C ATOM 106 CD2 TYR A 10 -10.839 14.366 -3.980 1.00 1.90 C ATOM 107 CE1 TYR A 10 -12.468 14.517 -1.757 1.00 2.96 C ATOM 108 CE2 TYR A 10 -11.162 15.599 -3.444 1.00 2.78 C ATOM 109 CZ TYR A 10 -11.975 15.668 -2.333 1.00 3.18 C ATOM 110 OH TYR A 10 -12.297 16.893 -1.797 1.00 4.20 O ATOM 0 H TYR A 10 -8.512 12.367 -3.964 1.00 0.38 H new ATOM 0 HA TYR A 10 -10.306 10.989 -2.147 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -10.575 11.988 -5.010 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -11.879 11.251 -4.100 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -12.529 12.388 -1.846 1.00 2.02 H new ATOM 0 HD2 TYR A 10 -10.201 14.315 -4.850 1.00 1.90 H new ATOM 0 HE1 TYR A 10 -13.106 14.575 -0.887 1.00 2.96 H new ATOM 0 HE2 TYR A 10 -10.779 16.503 -3.894 1.00 2.78 H new ATOM 0 HH TYR A 10 -11.868 17.602 -2.320 1.00 4.20 H new ATOM 120 N TRP A 11 -10.509 8.704 -3.146 1.00 0.47 N ATOM 121 CA TRP A 11 -10.449 7.317 -3.595 1.00 0.49 C ATOM 122 C TRP A 11 -11.024 7.169 -4.999 1.00 0.42 C ATOM 123 O TRP A 11 -11.950 7.885 -5.381 1.00 0.45 O ATOM 124 CB TRP A 11 -11.207 6.412 -2.622 1.00 0.60 C ATOM 125 CG TRP A 11 -10.305 5.615 -1.729 1.00 0.83 C ATOM 126 CD1 TRP A 11 -10.068 5.829 -0.402 1.00 1.71 C ATOM 127 CD2 TRP A 11 -9.516 4.480 -2.102 1.00 1.65 C ATOM 128 NE1 TRP A 11 -9.180 4.895 0.074 1.00 2.26 N ATOM 129 CE2 TRP A 11 -8.825 4.055 -0.950 1.00 2.17 C ATOM 130 CE3 TRP A 11 -9.329 3.779 -3.296 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -7.963 2.962 -0.960 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -8.471 2.694 -3.304 1.00 3.54 C ATOM 133 CH2 TRP A 11 -7.798 2.296 -2.143 1.00 3.60 C ATOM 0 H TRP A 11 -11.135 8.867 -2.357 1.00 0.47 H new ATOM 0 HA TRP A 11 -9.401 7.017 -3.621 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -11.868 7.024 -2.007 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -11.840 5.730 -3.189 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -10.513 6.617 0.187 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -8.840 4.836 1.034 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -9.845 4.079 -4.196 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -7.443 2.651 -0.066 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -8.318 2.145 -4.221 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -7.134 1.445 -2.182 1.00 3.60 H new ATOM 144 N THR A 12 -10.468 6.235 -5.766 1.00 0.45 N ATOM 145 CA THR A 12 -10.926 5.994 -7.129 1.00 0.50 C ATOM 146 C THR A 12 -11.502 4.588 -7.274 1.00 0.55 C ATOM 147 O THR A 12 -12.708 4.416 -7.445 1.00 0.64 O ATOM 148 CB THR A 12 -9.779 6.174 -8.144 1.00 0.61 C ATOM 149 OG1 THR A 12 -8.545 6.409 -7.454 1.00 1.28 O ATOM 150 CG2 THR A 12 -10.067 7.335 -9.084 1.00 1.23 C ATOM 0 H THR A 12 -9.700 5.634 -5.466 1.00 0.45 H new ATOM 0 HA THR A 12 -11.706 6.726 -7.337 1.00 0.50 H new ATOM 0 HB THR A 12 -9.698 5.260 -8.732 1.00 0.61 H new ATOM 0 HG1 THR A 12 -7.822 6.520 -8.106 1.00 1.28 H new ATOM 0 HG21 THR A 12 -9.245 7.443 -9.791 1.00 1.23 H new ATOM 0 HG22 THR A 12 -10.991 7.141 -9.629 1.00 1.23 H new ATOM 0 HG23 THR A 12 -10.172 8.253 -8.506 1.00 1.23 H new ATOM 158 N ASN A 13 -10.628 3.590 -7.209 1.00 0.56 N ATOM 159 CA ASN A 13 -11.044 2.198 -7.336 1.00 0.66 C ATOM 160 C ASN A 13 -11.260 1.564 -5.965 1.00 0.63 C ATOM 161 O ASN A 13 -10.560 1.886 -5.006 1.00 0.58 O ATOM 162 CB ASN A 13 -9.988 1.406 -8.108 1.00 0.73 C ATOM 163 CG ASN A 13 -9.502 2.142 -9.341 1.00 1.35 C ATOM 164 OD1 ASN A 13 -8.734 3.098 -9.245 1.00 2.05 O ATOM 165 ND2 ASN A 13 -9.950 1.698 -10.510 1.00 1.96 N ATOM 0 H ASN A 13 -9.626 3.719 -7.069 1.00 0.56 H new ATOM 0 HA ASN A 13 -11.988 2.174 -7.880 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -9.141 1.200 -7.453 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -10.404 0.443 -8.403 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -9.658 2.154 -11.375 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -10.586 0.901 -10.543 1.00 1.96 H new ATOM 172 N THR A 14 -12.228 0.657 -5.882 1.00 0.74 N ATOM 173 CA THR A 14 -12.523 -0.025 -4.628 1.00 0.78 C ATOM 174 C THR A 14 -11.366 -0.937 -4.240 1.00 0.76 C ATOM 175 O THR A 14 -10.937 -1.783 -5.026 1.00 0.78 O ATOM 176 CB THR A 14 -13.819 -0.854 -4.719 1.00 0.92 C ATOM 177 OG1 THR A 14 -13.797 -1.670 -5.897 1.00 1.06 O ATOM 178 CG2 THR A 14 -15.038 0.053 -4.750 1.00 1.15 C ATOM 0 H THR A 14 -12.819 0.378 -6.665 1.00 0.74 H new ATOM 0 HA THR A 14 -12.662 0.742 -3.866 1.00 0.78 H new ATOM 0 HB THR A 14 -13.880 -1.491 -3.837 1.00 0.92 H new ATOM 0 HG1 THR A 14 -14.679 -1.653 -6.323 1.00 1.06 H new ATOM 0 HG21 THR A 14 -15.941 -0.554 -4.814 1.00 1.15 H new ATOM 0 HG22 THR A 14 -15.068 0.653 -3.841 1.00 1.15 H new ATOM 0 HG23 THR A 14 -14.980 0.711 -5.617 1.00 1.15 H new ATOM 186 N GLU A 15 -10.874 -0.782 -3.018 1.00 0.76 N ATOM 187 CA GLU A 15 -9.773 -1.600 -2.534 1.00 0.77 C ATOM 188 C GLU A 15 -10.253 -2.990 -2.114 1.00 0.82 C ATOM 189 O GLU A 15 -9.485 -3.954 -2.097 1.00 0.82 O ATOM 190 CB GLU A 15 -9.097 -0.909 -1.347 1.00 0.79 C ATOM 191 CG GLU A 15 -10.079 -0.401 -0.302 1.00 1.35 C ATOM 192 CD GLU A 15 -10.273 1.102 -0.366 1.00 1.75 C ATOM 193 OE1 GLU A 15 -10.648 1.606 -1.445 1.00 2.06 O ATOM 194 OE2 GLU A 15 -10.051 1.773 0.664 1.00 2.50 O ATOM 0 H GLU A 15 -11.220 -0.098 -2.345 1.00 0.76 H new ATOM 0 HA GLU A 15 -9.058 -1.719 -3.348 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -8.406 -1.607 -0.875 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -8.503 -0.072 -1.714 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -11.041 -0.894 -0.443 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -9.722 -0.676 0.691 1.00 1.35 H new ATOM 201 N LYS A 16 -11.541 -3.085 -1.832 1.00 0.88 N ATOM 202 CA LYS A 16 -12.145 -4.347 -1.455 1.00 0.95 C ATOM 203 C LYS A 16 -12.328 -5.237 -2.680 1.00 0.98 C ATOM 204 O LYS A 16 -12.638 -6.421 -2.549 1.00 1.01 O ATOM 205 CB LYS A 16 -13.491 -4.114 -0.773 1.00 1.04 C ATOM 206 CG LYS A 16 -14.506 -3.430 -1.668 1.00 1.44 C ATOM 207 CD LYS A 16 -15.461 -2.558 -0.869 1.00 1.61 C ATOM 208 CE LYS A 16 -16.180 -1.558 -1.758 1.00 2.37 C ATOM 209 NZ LYS A 16 -17.655 -1.593 -1.554 1.00 2.83 N ATOM 0 H LYS A 16 -12.190 -2.298 -1.858 1.00 0.88 H new ATOM 0 HA LYS A 16 -11.479 -4.848 -0.753 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -13.894 -5.072 -0.444 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -13.338 -3.508 0.120 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -13.987 -2.819 -2.407 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -15.073 -4.182 -2.217 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -16.193 -3.188 -0.363 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -14.908 -2.026 -0.095 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -15.809 -0.555 -1.550 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -15.953 -1.772 -2.802 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -18.109 -0.896 -2.179 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -18.014 -2.543 -1.777 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -17.874 -1.364 -0.563 1.00 2.83 H new ATOM 223 N MET A 17 -12.152 -4.666 -3.876 1.00 0.98 N ATOM 224 CA MET A 17 -12.321 -5.431 -5.101 1.00 1.04 C ATOM 225 C MET A 17 -10.985 -5.777 -5.755 1.00 1.03 C ATOM 226 O MET A 17 -10.964 -6.357 -6.841 1.00 1.17 O ATOM 227 CB MET A 17 -13.194 -4.656 -6.087 1.00 1.21 C ATOM 228 CG MET A 17 -14.669 -4.661 -5.725 1.00 1.44 C ATOM 229 SD MET A 17 -15.688 -5.469 -6.974 1.00 1.83 S ATOM 230 CE MET A 17 -17.186 -4.492 -6.872 1.00 2.16 C ATOM 0 H MET A 17 -11.896 -3.688 -4.015 1.00 0.98 H new ATOM 0 HA MET A 17 -12.809 -6.368 -4.833 1.00 1.04 H new ATOM 0 HB2 MET A 17 -12.844 -3.625 -6.137 1.00 1.21 H new ATOM 0 HB3 MET A 17 -13.071 -5.083 -7.082 1.00 1.21 H new ATOM 0 HG2 MET A 17 -14.803 -5.168 -4.769 1.00 1.44 H new ATOM 0 HG3 MET A 17 -15.010 -3.634 -5.592 1.00 1.44 H new ATOM 0 HE1 MET A 17 -17.916 -4.870 -7.587 1.00 2.16 H new ATOM 0 HE2 MET A 17 -17.596 -4.559 -5.864 1.00 2.16 H new ATOM 0 HE3 MET A 17 -16.958 -3.451 -7.102 1.00 2.16 H new ATOM 240 N GLU A 18 -9.868 -5.430 -5.111 1.00 0.95 N ATOM 241 CA GLU A 18 -8.562 -5.736 -5.691 1.00 1.06 C ATOM 242 C GLU A 18 -7.418 -5.337 -4.766 1.00 0.96 C ATOM 243 O GLU A 18 -6.391 -4.845 -5.223 1.00 1.57 O ATOM 244 CB GLU A 18 -8.412 -5.039 -7.047 1.00 1.43 C ATOM 245 CG GLU A 18 -7.100 -5.346 -7.752 1.00 1.29 C ATOM 246 CD GLU A 18 -7.305 -5.923 -9.140 1.00 2.13 C ATOM 247 OE1 GLU A 18 -8.218 -5.451 -9.851 1.00 2.56 O ATOM 248 OE2 GLU A 18 -6.554 -6.847 -9.515 1.00 2.88 O ATOM 0 H GLU A 18 -9.841 -4.950 -4.212 1.00 0.95 H new ATOM 0 HA GLU A 18 -8.509 -6.816 -5.829 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -9.239 -5.337 -7.692 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -8.493 -3.962 -6.902 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -6.509 -4.433 -7.826 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -6.525 -6.050 -7.151 1.00 1.29 H new ATOM 255 N LYS A 19 -7.575 -5.623 -3.478 1.00 0.84 N ATOM 256 CA LYS A 19 -6.531 -5.351 -2.491 1.00 1.08 C ATOM 257 C LYS A 19 -6.779 -6.128 -1.209 1.00 0.87 C ATOM 258 O LYS A 19 -5.859 -6.741 -0.670 1.00 0.87 O ATOM 259 CB LYS A 19 -6.383 -3.862 -2.140 1.00 1.66 C ATOM 260 CG LYS A 19 -7.034 -2.888 -3.100 1.00 2.57 C ATOM 261 CD LYS A 19 -6.078 -2.440 -4.191 1.00 2.87 C ATOM 262 CE LYS A 19 -6.804 -2.235 -5.511 1.00 3.55 C ATOM 263 NZ LYS A 19 -7.214 -0.818 -5.704 1.00 4.14 N ATOM 0 H LYS A 19 -8.419 -6.045 -3.090 1.00 0.84 H new ATOM 0 HA LYS A 19 -5.603 -5.674 -2.963 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -6.803 -3.699 -1.147 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -5.320 -3.627 -2.079 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -7.908 -3.355 -3.553 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -7.388 -2.017 -2.548 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -5.592 -1.511 -3.893 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -5.292 -3.185 -4.317 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -6.157 -2.541 -6.333 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -7.685 -2.876 -5.544 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -8.176 -0.786 -6.097 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -7.197 -0.324 -4.789 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -6.556 -0.352 -6.361 1.00 4.14 H new ATOM 277 N ARG A 20 -8.017 -6.104 -0.708 1.00 0.98 N ATOM 278 CA ARG A 20 -8.318 -6.816 0.524 1.00 0.92 C ATOM 279 C ARG A 20 -8.180 -8.314 0.310 1.00 0.94 C ATOM 280 O ARG A 20 -7.079 -8.835 0.429 1.00 1.30 O ATOM 281 CB ARG A 20 -9.701 -6.457 1.076 1.00 0.95 C ATOM 282 CG ARG A 20 -9.947 -4.962 1.189 1.00 1.64 C ATOM 283 CD ARG A 20 -11.346 -4.664 1.704 1.00 2.15 C ATOM 284 NE ARG A 20 -11.620 -3.231 1.741 1.00 2.67 N ATOM 285 CZ ARG A 20 -12.700 -2.702 2.306 1.00 3.29 C ATOM 286 NH1 ARG A 20 -13.600 -3.486 2.882 1.00 3.51 N ATOM 287 NH2 ARG A 20 -12.883 -1.387 2.296 1.00 4.11 N ATOM 0 H ARG A 20 -8.805 -5.611 -1.128 1.00 0.98 H new ATOM 0 HA ARG A 20 -7.593 -6.502 1.275 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -10.464 -6.894 0.431 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -9.818 -6.910 2.060 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -9.210 -4.521 1.860 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -9.810 -4.495 0.214 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -12.080 -5.157 1.067 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -11.461 -5.081 2.704 1.00 2.15 H new ATOM 0 HE ARG A 20 -10.945 -2.600 1.309 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -13.464 -4.497 2.892 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -14.429 -3.079 3.315 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -12.193 -0.779 1.854 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -13.713 -0.984 2.731 1.00 4.11 H new ATOM 301 N LEU A 21 -9.267 -9.006 -0.027 1.00 1.59 N ATOM 302 CA LEU A 21 -9.200 -10.445 -0.245 1.00 1.80 C ATOM 303 C LEU A 21 -8.464 -10.728 -1.537 1.00 1.48 C ATOM 304 O LEU A 21 -9.020 -10.577 -2.626 1.00 2.41 O ATOM 305 CB LEU A 21 -10.609 -11.036 -0.305 1.00 3.05 C ATOM 306 CG LEU A 21 -10.727 -12.480 0.188 1.00 3.76 C ATOM 307 CD1 LEU A 21 -11.478 -12.532 1.509 1.00 4.55 C ATOM 308 CD2 LEU A 21 -11.419 -13.343 -0.855 1.00 4.31 C ATOM 0 H LEU A 21 -10.193 -8.597 -0.153 1.00 1.59 H new ATOM 0 HA LEU A 21 -8.663 -10.907 0.584 1.00 1.80 H new ATOM 0 HB2 LEU A 21 -11.275 -10.410 0.289 1.00 3.05 H new ATOM 0 HB3 LEU A 21 -10.962 -10.990 -1.335 1.00 3.05 H new ATOM 0 HG LEU A 21 -9.723 -12.873 0.348 1.00 3.76 H new ATOM 0 HD11 LEU A 21 -11.553 -13.566 1.845 1.00 4.55 H new ATOM 0 HD12 LEU A 21 -10.942 -11.946 2.256 1.00 4.55 H new ATOM 0 HD13 LEU A 21 -12.479 -12.121 1.375 1.00 4.55 H new ATOM 0 HD21 LEU A 21 -11.495 -14.367 -0.488 1.00 4.31 H new ATOM 0 HD22 LEU A 21 -12.418 -12.951 -1.047 1.00 4.31 H new ATOM 0 HD23 LEU A 21 -10.841 -13.330 -1.779 1.00 4.31 H new ATOM 320 N HIS A 22 -7.207 -11.159 -1.416 1.00 0.87 N ATOM 321 CA HIS A 22 -6.400 -11.481 -2.583 1.00 1.59 C ATOM 322 C HIS A 22 -5.623 -12.777 -2.356 1.00 1.16 C ATOM 323 O HIS A 22 -5.495 -13.247 -1.222 1.00 1.19 O ATOM 324 CB HIS A 22 -5.434 -10.338 -2.893 1.00 2.66 C ATOM 325 CG HIS A 22 -5.189 -10.145 -4.357 1.00 3.21 C ATOM 326 ND1 HIS A 22 -4.023 -10.535 -4.982 1.00 4.07 N ATOM 327 CD2 HIS A 22 -5.967 -9.600 -5.322 1.00 3.32 C ATOM 328 CE1 HIS A 22 -4.094 -10.240 -6.268 1.00 4.62 C ATOM 329 NE2 HIS A 22 -5.264 -9.672 -6.499 1.00 4.23 N ATOM 0 H HIS A 22 -6.732 -11.291 -0.523 1.00 0.87 H new ATOM 0 HA HIS A 22 -7.067 -11.619 -3.434 1.00 1.59 H new ATOM 0 HB2 HIS A 22 -5.831 -9.413 -2.474 1.00 2.66 H new ATOM 0 HB3 HIS A 22 -4.483 -10.531 -2.396 1.00 2.66 H new ATOM 0 HD2 HIS A 22 -6.956 -9.186 -5.190 1.00 3.32 H new ATOM 0 HE1 HIS A 22 -3.327 -10.431 -7.004 1.00 4.62 H new ATOM 0 HE2 HIS A 22 -5.592 -9.340 -7.406 1.00 4.23 H new ATOM 338 N ALA A 23 -5.082 -13.337 -3.433 1.00 1.06 N ATOM 339 CA ALA A 23 -4.294 -14.561 -3.344 1.00 0.93 C ATOM 340 C ALA A 23 -2.807 -14.230 -3.271 1.00 0.84 C ATOM 341 O ALA A 23 -2.253 -13.626 -4.188 1.00 0.97 O ATOM 342 CB ALA A 23 -4.583 -15.467 -4.533 1.00 1.21 C ATOM 0 H ALA A 23 -5.175 -12.963 -4.377 1.00 1.06 H new ATOM 0 HA ALA A 23 -4.575 -15.090 -2.433 1.00 0.93 H new ATOM 0 HB1 ALA A 23 -3.987 -16.376 -4.451 1.00 1.21 H new ATOM 0 HB2 ALA A 23 -5.641 -15.727 -4.544 1.00 1.21 H new ATOM 0 HB3 ALA A 23 -4.328 -14.948 -5.457 1.00 1.21 H new ATOM 348 N VAL A 24 -2.167 -14.609 -2.167 1.00 0.78 N ATOM 349 CA VAL A 24 -0.748 -14.327 -1.977 1.00 0.74 C ATOM 350 C VAL A 24 0.102 -15.597 -2.014 1.00 0.68 C ATOM 351 O VAL A 24 0.122 -16.367 -1.050 1.00 0.77 O ATOM 352 CB VAL A 24 -0.498 -13.608 -0.639 1.00 0.81 C ATOM 353 CG1 VAL A 24 0.926 -13.077 -0.577 1.00 1.32 C ATOM 354 CG2 VAL A 24 -1.503 -12.484 -0.439 1.00 1.30 C ATOM 0 H VAL A 24 -2.607 -15.110 -1.395 1.00 0.78 H new ATOM 0 HA VAL A 24 -0.454 -13.682 -2.805 1.00 0.74 H new ATOM 0 HB VAL A 24 -0.629 -14.328 0.169 1.00 0.81 H new ATOM 0 HG11 VAL A 24 1.085 -12.572 0.376 1.00 1.32 H new ATOM 0 HG12 VAL A 24 1.628 -13.906 -0.670 1.00 1.32 H new ATOM 0 HG13 VAL A 24 1.087 -12.372 -1.393 1.00 1.32 H new ATOM 0 HG21 VAL A 24 -1.310 -11.988 0.512 1.00 1.30 H new ATOM 0 HG22 VAL A 24 -1.408 -11.762 -1.250 1.00 1.30 H new ATOM 0 HG23 VAL A 24 -2.513 -12.895 -0.435 1.00 1.30 H new ATOM 364 N PRO A 25 0.833 -15.829 -3.121 1.00 0.61 N ATOM 365 CA PRO A 25 1.695 -17.001 -3.263 1.00 0.63 C ATOM 366 C PRO A 25 3.017 -16.830 -2.522 1.00 0.57 C ATOM 367 O PRO A 25 3.704 -15.822 -2.685 1.00 0.52 O ATOM 368 CB PRO A 25 1.935 -17.081 -4.767 1.00 0.72 C ATOM 369 CG PRO A 25 1.813 -15.678 -5.258 1.00 0.71 C ATOM 370 CD PRO A 25 0.879 -14.962 -4.314 1.00 0.65 C ATOM 0 HA PRO A 25 1.242 -17.899 -2.843 1.00 0.63 H new ATOM 0 HB2 PRO A 25 2.921 -17.491 -4.987 1.00 0.72 H new ATOM 0 HB3 PRO A 25 1.205 -17.731 -5.248 1.00 0.72 H new ATOM 0 HG2 PRO A 25 2.788 -15.191 -5.280 1.00 0.71 H new ATOM 0 HG3 PRO A 25 1.423 -15.658 -6.276 1.00 0.71 H new ATOM 0 HD2 PRO A 25 1.248 -13.966 -4.068 1.00 0.65 H new ATOM 0 HD3 PRO A 25 -0.111 -14.836 -4.753 1.00 0.65 H new ATOM 378 N ALA A 26 3.364 -17.816 -1.705 1.00 0.61 N ATOM 379 CA ALA A 26 4.601 -17.769 -0.936 1.00 0.60 C ATOM 380 C ALA A 26 5.820 -17.661 -1.848 1.00 0.54 C ATOM 381 O ALA A 26 5.874 -18.286 -2.908 1.00 0.58 O ATOM 382 CB ALA A 26 4.714 -18.997 -0.045 1.00 0.71 C ATOM 0 H ALA A 26 2.807 -18.658 -1.558 1.00 0.61 H new ATOM 0 HA ALA A 26 4.573 -16.877 -0.310 1.00 0.60 H new ATOM 0 HB1 ALA A 26 5.642 -18.949 0.524 1.00 0.71 H new ATOM 0 HB2 ALA A 26 3.868 -19.027 0.642 1.00 0.71 H new ATOM 0 HB3 ALA A 26 4.712 -19.896 -0.662 1.00 0.71 H new ATOM 388 N ALA A 27 6.803 -16.871 -1.420 1.00 0.50 N ATOM 389 CA ALA A 27 8.037 -16.680 -2.184 1.00 0.48 C ATOM 390 C ALA A 27 7.829 -15.772 -3.396 1.00 0.43 C ATOM 391 O ALA A 27 8.679 -15.715 -4.285 1.00 0.46 O ATOM 392 CB ALA A 27 8.600 -18.026 -2.624 1.00 0.55 C ATOM 0 H ALA A 27 6.769 -16.350 -0.544 1.00 0.50 H new ATOM 0 HA ALA A 27 8.753 -16.187 -1.527 1.00 0.48 H new ATOM 0 HB1 ALA A 27 9.517 -17.869 -3.191 1.00 0.55 H new ATOM 0 HB2 ALA A 27 8.816 -18.635 -1.746 1.00 0.55 H new ATOM 0 HB3 ALA A 27 7.870 -18.539 -3.250 1.00 0.55 H new ATOM 398 N ASN A 28 6.704 -15.065 -3.434 1.00 0.39 N ATOM 399 CA ASN A 28 6.406 -14.165 -4.545 1.00 0.36 C ATOM 400 C ASN A 28 6.276 -12.722 -4.067 1.00 0.30 C ATOM 401 O ASN A 28 6.201 -12.460 -2.866 1.00 0.29 O ATOM 402 CB ASN A 28 5.123 -14.599 -5.252 1.00 0.40 C ATOM 403 CG ASN A 28 5.197 -14.403 -6.754 1.00 0.77 C ATOM 404 OD1 ASN A 28 5.926 -13.540 -7.243 1.00 1.42 O ATOM 405 ND2 ASN A 28 4.440 -15.205 -7.493 1.00 1.36 N ATOM 0 H ASN A 28 5.985 -15.097 -2.711 1.00 0.39 H new ATOM 0 HA ASN A 28 7.236 -14.217 -5.249 1.00 0.36 H new ATOM 0 HB2 ASN A 28 4.929 -15.649 -5.034 1.00 0.40 H new ATOM 0 HB3 ASN A 28 4.282 -14.030 -4.855 1.00 0.40 H new ATOM 0 HD21 ASN A 28 4.448 -15.120 -8.509 1.00 1.36 H new ATOM 0 HD22 ASN A 28 3.851 -15.906 -7.044 1.00 1.36 H new ATOM 412 N THR A 29 6.247 -11.786 -5.014 1.00 0.30 N ATOM 413 CA THR A 29 6.125 -10.369 -4.685 1.00 0.28 C ATOM 414 C THR A 29 4.675 -10.014 -4.376 1.00 0.30 C ATOM 415 O THR A 29 3.751 -10.564 -4.976 1.00 0.33 O ATOM 416 CB THR A 29 6.629 -9.473 -5.833 1.00 0.32 C ATOM 417 OG1 THR A 29 6.223 -8.117 -5.612 1.00 0.96 O ATOM 418 CG2 THR A 29 6.090 -9.955 -7.173 1.00 0.92 C ATOM 0 H THR A 29 6.306 -11.984 -6.013 1.00 0.30 H new ATOM 0 HA THR A 29 6.744 -10.190 -3.806 1.00 0.28 H new ATOM 0 HB THR A 29 7.717 -9.528 -5.855 1.00 0.32 H new ATOM 0 HG1 THR A 29 6.817 -7.701 -4.953 1.00 0.96 H new ATOM 0 HG21 THR A 29 6.459 -9.307 -7.968 1.00 0.92 H new ATOM 0 HG22 THR A 29 6.424 -10.977 -7.353 1.00 0.92 H new ATOM 0 HG23 THR A 29 5.000 -9.927 -7.158 1.00 0.92 H new ATOM 426 N VAL A 30 4.479 -9.112 -3.417 1.00 0.33 N ATOM 427 CA VAL A 30 3.134 -8.714 -3.012 1.00 0.39 C ATOM 428 C VAL A 30 2.669 -7.440 -3.714 1.00 0.35 C ATOM 429 O VAL A 30 3.314 -6.395 -3.639 1.00 0.35 O ATOM 430 CB VAL A 30 3.034 -8.507 -1.487 1.00 0.47 C ATOM 431 CG1 VAL A 30 1.596 -8.679 -1.023 1.00 0.56 C ATOM 432 CG2 VAL A 30 3.952 -9.465 -0.740 1.00 0.57 C ATOM 0 H VAL A 30 5.230 -8.645 -2.909 1.00 0.33 H new ATOM 0 HA VAL A 30 2.482 -9.536 -3.309 1.00 0.39 H new ATOM 0 HB VAL A 30 3.356 -7.490 -1.263 1.00 0.47 H new ATOM 0 HG11 VAL A 30 1.541 -8.530 0.055 1.00 0.56 H new ATOM 0 HG12 VAL A 30 0.962 -7.947 -1.523 1.00 0.56 H new ATOM 0 HG13 VAL A 30 1.252 -9.684 -1.268 1.00 0.56 H new ATOM 0 HG21 VAL A 30 3.860 -9.295 0.333 1.00 0.57 H new ATOM 0 HG22 VAL A 30 3.671 -10.493 -0.970 1.00 0.57 H new ATOM 0 HG23 VAL A 30 4.984 -9.294 -1.047 1.00 0.57 H new ATOM 442 N LYS A 31 1.529 -7.551 -4.384 1.00 0.34 N ATOM 443 CA LYS A 31 0.937 -6.425 -5.100 1.00 0.33 C ATOM 444 C LYS A 31 -0.035 -5.669 -4.196 1.00 0.33 C ATOM 445 O LYS A 31 -1.003 -6.244 -3.698 1.00 0.38 O ATOM 446 CB LYS A 31 0.215 -6.917 -6.364 1.00 0.38 C ATOM 447 CG LYS A 31 -0.673 -5.870 -7.026 1.00 0.60 C ATOM 448 CD LYS A 31 -2.013 -5.742 -6.315 1.00 0.82 C ATOM 449 CE LYS A 31 -3.178 -5.862 -7.284 1.00 1.34 C ATOM 450 NZ LYS A 31 -3.031 -7.035 -8.190 1.00 1.98 N ATOM 0 H LYS A 31 0.992 -8.416 -4.447 1.00 0.34 H new ATOM 0 HA LYS A 31 1.736 -5.745 -5.396 1.00 0.33 H new ATOM 0 HB2 LYS A 31 0.959 -7.254 -7.086 1.00 0.38 H new ATOM 0 HB3 LYS A 31 -0.394 -7.783 -6.106 1.00 0.38 H new ATOM 0 HG2 LYS A 31 -0.165 -4.906 -7.022 1.00 0.60 H new ATOM 0 HG3 LYS A 31 -0.838 -6.139 -8.069 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -2.095 -6.515 -5.551 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -2.063 -4.781 -5.803 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -4.108 -5.951 -6.723 1.00 1.34 H new ATOM 0 HE3 LYS A 31 -3.250 -4.951 -7.879 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 -3.969 -7.338 -8.521 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 -2.444 -6.771 -9.007 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 -2.576 -7.816 -7.676 1.00 1.98 H new ATOM 464 N PHE A 32 0.222 -4.380 -3.994 1.00 0.31 N ATOM 465 CA PHE A 32 -0.647 -3.558 -3.155 1.00 0.35 C ATOM 466 C PHE A 32 -1.002 -2.251 -3.855 1.00 0.32 C ATOM 467 O PHE A 32 -0.125 -1.455 -4.189 1.00 0.32 O ATOM 468 CB PHE A 32 0.034 -3.254 -1.820 1.00 0.44 C ATOM 469 CG PHE A 32 0.180 -4.450 -0.924 1.00 0.90 C ATOM 470 CD1 PHE A 32 -0.940 -5.097 -0.423 1.00 1.64 C ATOM 471 CD2 PHE A 32 1.434 -4.922 -0.579 1.00 1.21 C ATOM 472 CE1 PHE A 32 -0.806 -6.197 0.405 1.00 2.28 C ATOM 473 CE2 PHE A 32 1.574 -6.020 0.248 1.00 1.91 C ATOM 474 CZ PHE A 32 0.452 -6.658 0.741 1.00 2.35 C ATOM 0 H PHE A 32 1.018 -3.884 -4.396 1.00 0.31 H new ATOM 0 HA PHE A 32 -1.564 -4.119 -2.973 1.00 0.35 H new ATOM 0 HB2 PHE A 32 1.021 -2.835 -2.014 1.00 0.44 H new ATOM 0 HB3 PHE A 32 -0.539 -2.489 -1.297 1.00 0.44 H new ATOM 0 HD1 PHE A 32 -1.925 -4.739 -0.682 1.00 1.64 H new ATOM 0 HD2 PHE A 32 2.314 -4.426 -0.961 1.00 1.21 H new ATOM 0 HE1 PHE A 32 -1.684 -6.695 0.788 1.00 2.28 H new ATOM 0 HE2 PHE A 32 2.559 -6.379 0.509 1.00 1.91 H new ATOM 0 HZ PHE A 32 0.558 -7.516 1.388 1.00 2.35 H new ATOM 484 N ARG A 33 -2.290 -2.044 -4.090 1.00 0.36 N ATOM 485 CA ARG A 33 -2.749 -0.838 -4.769 1.00 0.39 C ATOM 486 C ARG A 33 -3.508 0.091 -3.828 1.00 0.40 C ATOM 487 O ARG A 33 -4.113 -0.343 -2.848 1.00 0.43 O ATOM 488 CB ARG A 33 -3.633 -1.181 -5.973 1.00 0.47 C ATOM 489 CG ARG A 33 -3.380 -2.561 -6.558 1.00 0.80 C ATOM 490 CD ARG A 33 -2.118 -2.582 -7.407 1.00 0.53 C ATOM 491 NE ARG A 33 -2.372 -2.133 -8.773 1.00 1.09 N ATOM 492 CZ ARG A 33 -1.547 -2.359 -9.789 1.00 1.56 C ATOM 493 NH1 ARG A 33 -0.420 -3.033 -9.596 1.00 2.10 N ATOM 494 NH2 ARG A 33 -1.847 -1.913 -11.001 1.00 2.12 N ATOM 0 H ARG A 33 -3.033 -2.690 -3.823 1.00 0.36 H new ATOM 0 HA ARG A 33 -1.856 -0.319 -5.118 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -4.679 -1.112 -5.673 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -3.474 -0.434 -6.751 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -3.290 -3.289 -5.751 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -4.234 -2.862 -7.165 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -1.362 -1.943 -6.950 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -1.711 -3.593 -7.427 1.00 0.53 H new ATOM 0 HE ARG A 33 -3.232 -1.616 -8.957 1.00 1.09 H new ATOM 0 HH11 ARG A 33 -0.186 -3.379 -8.666 1.00 2.10 H new ATOM 0 HH12 ARG A 33 0.212 -3.205 -10.378 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -2.712 -1.395 -11.154 1.00 2.12 H new ATOM 0 HH22 ARG A 33 -1.212 -2.087 -11.780 1.00 2.12 H new ATOM 508 N CYS A 34 -3.472 1.376 -4.155 1.00 0.39 N ATOM 509 CA CYS A 34 -4.156 2.398 -3.378 1.00 0.41 C ATOM 510 C CYS A 34 -4.447 3.611 -4.258 1.00 0.41 C ATOM 511 O CYS A 34 -3.902 4.694 -4.045 1.00 0.47 O ATOM 512 CB CYS A 34 -3.317 2.801 -2.158 1.00 0.44 C ATOM 513 SG CYS A 34 -4.184 2.614 -0.564 1.00 0.94 S ATOM 0 H CYS A 34 -2.968 1.738 -4.965 1.00 0.39 H new ATOM 0 HA CYS A 34 -5.101 1.992 -3.017 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -2.410 2.197 -2.139 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -3.007 3.840 -2.271 1.00 0.44 H new ATOM 518 N PRO A 35 -5.308 3.438 -5.278 1.00 0.41 N ATOM 519 CA PRO A 35 -5.659 4.519 -6.204 1.00 0.44 C ATOM 520 C PRO A 35 -6.421 5.645 -5.517 1.00 0.34 C ATOM 521 O PRO A 35 -7.481 5.425 -4.930 1.00 0.34 O ATOM 522 CB PRO A 35 -6.543 3.831 -7.250 1.00 0.57 C ATOM 523 CG PRO A 35 -7.067 2.612 -6.573 1.00 0.54 C ATOM 524 CD PRO A 35 -5.998 2.177 -5.610 1.00 0.44 C ATOM 0 HA PRO A 35 -4.773 4.992 -6.627 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -7.355 4.484 -7.571 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -5.971 3.572 -8.141 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -7.999 2.827 -6.050 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -7.282 1.826 -7.297 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -6.422 1.705 -4.724 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -5.319 1.454 -6.062 1.00 0.44 H new ATOM 532 N ALA A 36 -5.871 6.853 -5.597 1.00 0.35 N ATOM 533 CA ALA A 36 -6.499 8.014 -4.983 1.00 0.33 C ATOM 534 C ALA A 36 -6.064 9.305 -5.668 1.00 0.32 C ATOM 535 O ALA A 36 -4.931 9.758 -5.500 1.00 0.38 O ATOM 536 CB ALA A 36 -6.172 8.066 -3.499 1.00 0.40 C ATOM 0 H ALA A 36 -4.995 7.051 -6.080 1.00 0.35 H new ATOM 0 HA ALA A 36 -7.578 7.917 -5.105 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -6.648 8.939 -3.052 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -6.541 7.163 -3.013 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -5.092 8.134 -3.367 1.00 0.40 H new ATOM 542 N GLY A 37 -6.975 9.900 -6.433 1.00 0.33 N ATOM 543 CA GLY A 37 -6.667 11.139 -7.126 1.00 0.36 C ATOM 544 C GLY A 37 -6.759 12.342 -6.207 1.00 0.35 C ATOM 545 O GLY A 37 -7.665 12.427 -5.380 1.00 0.37 O ATOM 0 H GLY A 37 -7.920 9.547 -6.585 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -5.663 11.080 -7.546 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -7.355 11.268 -7.962 1.00 0.36 H new ATOM 549 N GLY A 38 -5.819 13.270 -6.345 1.00 0.36 N ATOM 550 CA GLY A 38 -5.823 14.452 -5.502 1.00 0.39 C ATOM 551 C GLY A 38 -4.562 15.276 -5.644 1.00 0.37 C ATOM 552 O GLY A 38 -4.176 15.647 -6.753 1.00 0.42 O ATOM 0 H GLY A 38 -5.057 13.226 -7.022 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -6.685 15.069 -5.753 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -5.939 14.150 -4.461 1.00 0.39 H new ATOM 556 N ASN A 39 -3.924 15.576 -4.515 1.00 0.40 N ATOM 557 CA ASN A 39 -2.707 16.377 -4.521 1.00 0.47 C ATOM 558 C ASN A 39 -1.534 15.632 -5.156 1.00 0.36 C ATOM 559 O ASN A 39 -1.539 14.405 -5.252 1.00 0.34 O ATOM 560 CB ASN A 39 -2.337 16.768 -3.084 1.00 0.70 C ATOM 561 CG ASN A 39 -1.595 15.672 -2.320 1.00 2.04 C ATOM 562 OD1 ASN A 39 -0.808 15.961 -1.421 1.00 2.41 O ATOM 563 ND2 ASN A 39 -1.841 14.412 -2.671 1.00 2.89 N ATOM 0 H ASN A 39 -4.230 15.277 -3.589 1.00 0.40 H new ATOM 0 HA ASN A 39 -2.904 17.267 -5.118 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -1.717 17.664 -3.109 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -3.247 17.025 -2.541 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -1.370 13.647 -2.189 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -2.501 14.211 -3.422 1.00 2.89 H new ATOM 570 N PRO A 40 -0.492 16.377 -5.561 1.00 0.39 N ATOM 571 CA PRO A 40 0.710 15.802 -6.142 1.00 0.39 C ATOM 572 C PRO A 40 1.716 15.382 -5.065 1.00 0.34 C ATOM 573 O PRO A 40 2.773 14.833 -5.373 1.00 0.40 O ATOM 574 CB PRO A 40 1.260 16.959 -6.967 1.00 0.51 C ATOM 575 CG PRO A 40 0.879 18.181 -6.197 1.00 0.52 C ATOM 576 CD PRO A 40 -0.390 17.847 -5.449 1.00 0.53 C ATOM 0 HA PRO A 40 0.514 14.898 -6.718 1.00 0.39 H new ATOM 0 HB2 PRO A 40 2.341 16.884 -7.084 1.00 0.51 H new ATOM 0 HB3 PRO A 40 0.831 16.971 -7.969 1.00 0.51 H new ATOM 0 HG2 PRO A 40 1.672 18.465 -5.505 1.00 0.52 H new ATOM 0 HG3 PRO A 40 0.722 19.027 -6.867 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -0.336 18.166 -4.408 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -1.255 18.342 -5.889 1.00 0.53 H new ATOM 584 N MET A 41 1.378 15.650 -3.798 1.00 0.31 N ATOM 585 CA MET A 41 2.248 15.305 -2.678 1.00 0.33 C ATOM 586 C MET A 41 1.556 14.327 -1.732 1.00 0.32 C ATOM 587 O MET A 41 1.116 14.708 -0.647 1.00 0.36 O ATOM 588 CB MET A 41 2.636 16.570 -1.909 1.00 0.39 C ATOM 589 CG MET A 41 3.733 16.341 -0.881 1.00 0.47 C ATOM 590 SD MET A 41 5.332 16.983 -1.413 1.00 1.30 S ATOM 591 CE MET A 41 6.441 15.969 -0.439 1.00 1.83 C ATOM 0 H MET A 41 0.506 16.105 -3.527 1.00 0.31 H new ATOM 0 HA MET A 41 3.144 14.830 -3.077 1.00 0.33 H new ATOM 0 HB2 MET A 41 2.966 17.330 -2.618 1.00 0.39 H new ATOM 0 HB3 MET A 41 1.754 16.965 -1.406 1.00 0.39 H new ATOM 0 HG2 MET A 41 3.450 16.816 0.058 1.00 0.47 H new ATOM 0 HG3 MET A 41 3.823 15.273 -0.683 1.00 0.47 H new ATOM 0 HE1 MET A 41 7.473 16.246 -0.656 1.00 1.83 H new ATOM 0 HE2 MET A 41 6.239 16.124 0.621 1.00 1.83 H new ATOM 0 HE3 MET A 41 6.287 14.919 -0.688 1.00 1.83 H new ATOM 601 N PRO A 42 1.446 13.050 -2.130 1.00 0.32 N ATOM 602 CA PRO A 42 0.802 12.023 -1.320 1.00 0.34 C ATOM 603 C PRO A 42 1.773 11.329 -0.368 1.00 0.35 C ATOM 604 O PRO A 42 2.866 10.926 -0.765 1.00 0.43 O ATOM 605 CB PRO A 42 0.306 11.044 -2.378 1.00 0.40 C ATOM 606 CG PRO A 42 1.326 11.118 -3.468 1.00 0.42 C ATOM 607 CD PRO A 42 1.931 12.503 -3.411 1.00 0.36 C ATOM 0 HA PRO A 42 0.024 12.429 -0.673 1.00 0.34 H new ATOM 0 HB2 PRO A 42 0.227 10.034 -1.977 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -0.684 11.321 -2.742 1.00 0.40 H new ATOM 0 HG2 PRO A 42 2.093 10.356 -3.331 1.00 0.42 H new ATOM 0 HG3 PRO A 42 0.866 10.937 -4.440 1.00 0.42 H new ATOM 0 HD2 PRO A 42 3.020 12.465 -3.442 1.00 0.36 H new ATOM 0 HD3 PRO A 42 1.609 13.115 -4.254 1.00 0.36 H new ATOM 615 N THR A 43 1.356 11.178 0.886 1.00 0.32 N ATOM 616 CA THR A 43 2.182 10.518 1.889 1.00 0.35 C ATOM 617 C THR A 43 1.461 9.297 2.442 1.00 0.37 C ATOM 618 O THR A 43 0.538 9.423 3.243 1.00 0.48 O ATOM 619 CB THR A 43 2.532 11.465 3.053 1.00 0.41 C ATOM 620 OG1 THR A 43 2.729 12.796 2.563 1.00 0.94 O ATOM 621 CG2 THR A 43 3.784 10.994 3.777 1.00 1.00 C ATOM 0 H THR A 43 0.453 11.503 1.230 1.00 0.32 H new ATOM 0 HA THR A 43 3.108 10.216 1.399 1.00 0.35 H new ATOM 0 HB THR A 43 1.700 11.459 3.758 1.00 0.41 H new ATOM 0 HG1 THR A 43 2.949 13.390 3.310 1.00 0.94 H new ATOM 0 HG21 THR A 43 4.011 11.678 4.594 1.00 1.00 H new ATOM 0 HG22 THR A 43 3.618 9.994 4.177 1.00 1.00 H new ATOM 0 HG23 THR A 43 4.621 10.972 3.079 1.00 1.00 H new ATOM 629 N MET A 44 1.875 8.114 2.002 1.00 0.35 N ATOM 630 CA MET A 44 1.246 6.876 2.448 1.00 0.41 C ATOM 631 C MET A 44 2.198 6.018 3.270 1.00 0.38 C ATOM 632 O MET A 44 3.404 5.991 3.026 1.00 0.40 O ATOM 633 CB MET A 44 0.740 6.082 1.243 1.00 0.49 C ATOM 634 CG MET A 44 1.717 6.050 0.080 1.00 0.86 C ATOM 635 SD MET A 44 1.841 4.421 -0.681 1.00 1.82 S ATOM 636 CE MET A 44 0.260 4.320 -1.514 1.00 2.30 C ATOM 0 H MET A 44 2.640 7.986 1.340 1.00 0.35 H new ATOM 0 HA MET A 44 0.407 7.147 3.089 1.00 0.41 H new ATOM 0 HB2 MET A 44 0.527 5.060 1.556 1.00 0.49 H new ATOM 0 HB3 MET A 44 -0.201 6.514 0.904 1.00 0.49 H new ATOM 0 HG2 MET A 44 1.404 6.775 -0.672 1.00 0.86 H new ATOM 0 HG3 MET A 44 2.702 6.359 0.430 1.00 0.86 H new ATOM 0 HE1 MET A 44 -0.246 3.399 -1.224 1.00 2.30 H new ATOM 0 HE2 MET A 44 -0.355 5.175 -1.233 1.00 2.30 H new ATOM 0 HE3 MET A 44 0.416 4.324 -2.593 1.00 2.30 H new ATOM 646 N ARG A 45 1.635 5.308 4.244 1.00 0.36 N ATOM 647 CA ARG A 45 2.410 4.430 5.109 1.00 0.34 C ATOM 648 C ARG A 45 2.013 2.977 4.876 1.00 0.32 C ATOM 649 O ARG A 45 0.863 2.686 4.543 1.00 0.34 O ATOM 650 CB ARG A 45 2.197 4.806 6.577 1.00 0.37 C ATOM 651 CG ARG A 45 2.710 6.194 6.927 1.00 0.66 C ATOM 652 CD ARG A 45 1.891 6.827 8.040 1.00 0.88 C ATOM 653 NE ARG A 45 2.018 6.096 9.296 1.00 1.57 N ATOM 654 CZ ARG A 45 1.494 6.510 10.444 1.00 2.04 C ATOM 655 NH1 ARG A 45 0.815 7.649 10.492 1.00 2.22 N ATOM 656 NH2 ARG A 45 1.649 5.789 11.546 1.00 2.89 N ATOM 0 H ARG A 45 0.637 5.326 4.453 1.00 0.36 H new ATOM 0 HA ARG A 45 3.466 4.549 4.868 1.00 0.34 H new ATOM 0 HB2 ARG A 45 1.133 4.752 6.807 1.00 0.37 H new ATOM 0 HB3 ARG A 45 2.698 4.072 7.208 1.00 0.37 H new ATOM 0 HG2 ARG A 45 3.754 6.130 7.233 1.00 0.66 H new ATOM 0 HG3 ARG A 45 2.676 6.829 6.042 1.00 0.66 H new ATOM 0 HD2 ARG A 45 2.214 7.858 8.186 1.00 0.88 H new ATOM 0 HD3 ARG A 45 0.842 6.860 7.744 1.00 0.88 H new ATOM 0 HE ARG A 45 2.538 5.218 9.292 1.00 1.57 H new ATOM 0 HH11 ARG A 45 0.695 8.207 9.647 1.00 2.22 H new ATOM 0 HH12 ARG A 45 0.413 7.966 11.374 1.00 2.22 H new ATOM 0 HH21 ARG A 45 2.172 4.914 11.514 1.00 2.89 H new ATOM 0 HH22 ARG A 45 1.245 6.110 12.426 1.00 2.89 H new ATOM 670 N TRP A 46 2.967 2.069 5.042 1.00 0.31 N ATOM 671 CA TRP A 46 2.710 0.651 4.836 1.00 0.31 C ATOM 672 C TRP A 46 2.762 -0.123 6.150 1.00 0.26 C ATOM 673 O TRP A 46 3.800 -0.161 6.820 1.00 0.29 O ATOM 674 CB TRP A 46 3.735 0.081 3.859 1.00 0.39 C ATOM 675 CG TRP A 46 3.990 0.978 2.687 1.00 0.70 C ATOM 676 CD1 TRP A 46 3.472 0.844 1.435 1.00 1.52 C ATOM 677 CD2 TRP A 46 4.820 2.148 2.658 1.00 1.34 C ATOM 678 NE1 TRP A 46 3.932 1.851 0.621 1.00 1.62 N ATOM 679 CE2 TRP A 46 4.760 2.665 1.349 1.00 1.46 C ATOM 680 CE3 TRP A 46 5.606 2.805 3.607 1.00 2.43 C ATOM 681 CZ2 TRP A 46 5.457 3.809 0.969 1.00 2.14 C ATOM 682 CZ3 TRP A 46 6.298 3.941 3.228 1.00 3.28 C ATOM 683 CH2 TRP A 46 6.219 4.432 1.918 1.00 3.02 C ATOM 0 H TRP A 46 3.924 2.290 5.318 1.00 0.31 H new ATOM 0 HA TRP A 46 1.707 0.545 4.424 1.00 0.31 H new ATOM 0 HB2 TRP A 46 4.673 -0.094 4.386 1.00 0.39 H new ATOM 0 HB3 TRP A 46 3.386 -0.887 3.499 1.00 0.39 H new ATOM 0 HD1 TRP A 46 2.797 0.059 1.126 1.00 1.52 H new ATOM 0 HE1 TRP A 46 3.696 1.973 -0.364 1.00 1.62 H new ATOM 0 HE3 TRP A 46 5.672 2.433 4.619 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 5.398 4.191 -0.040 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 6.909 4.458 3.953 1.00 3.28 H new ATOM 0 HH2 TRP A 46 6.772 5.321 1.652 1.00 3.02 H new ATOM 694 N LEU A 47 1.640 -0.756 6.500 1.00 0.25 N ATOM 695 CA LEU A 47 1.557 -1.545 7.725 1.00 0.26 C ATOM 696 C LEU A 47 1.003 -2.935 7.432 1.00 0.24 C ATOM 697 O LEU A 47 -0.078 -3.075 6.862 1.00 0.31 O ATOM 698 CB LEU A 47 0.678 -0.843 8.763 1.00 0.37 C ATOM 699 CG LEU A 47 1.323 -0.634 10.136 1.00 0.80 C ATOM 700 CD1 LEU A 47 2.115 -1.863 10.558 1.00 1.58 C ATOM 701 CD2 LEU A 47 2.212 0.600 10.123 1.00 1.53 C ATOM 0 H LEU A 47 0.780 -0.736 5.952 1.00 0.25 H new ATOM 0 HA LEU A 47 2.564 -1.645 8.129 1.00 0.26 H new ATOM 0 HB2 LEU A 47 0.383 0.129 8.367 1.00 0.37 H new ATOM 0 HB3 LEU A 47 -0.235 -1.424 8.894 1.00 0.37 H new ATOM 0 HG LEU A 47 0.528 -0.480 10.866 1.00 0.80 H new ATOM 0 HD11 LEU A 47 2.563 -1.689 11.536 1.00 1.58 H new ATOM 0 HD12 LEU A 47 1.449 -2.724 10.612 1.00 1.58 H new ATOM 0 HD13 LEU A 47 2.901 -2.057 9.828 1.00 1.58 H new ATOM 0 HD21 LEU A 47 2.663 0.734 11.106 1.00 1.53 H new ATOM 0 HD22 LEU A 47 2.998 0.475 9.378 1.00 1.53 H new ATOM 0 HD23 LEU A 47 1.614 1.477 9.875 1.00 1.53 H new ATOM 713 N LYS A 48 1.756 -3.958 7.816 1.00 0.22 N ATOM 714 CA LYS A 48 1.350 -5.337 7.585 1.00 0.25 C ATOM 715 C LYS A 48 1.371 -6.150 8.877 1.00 0.26 C ATOM 716 O LYS A 48 2.423 -6.344 9.482 1.00 0.31 O ATOM 717 CB LYS A 48 2.250 -6.003 6.533 1.00 0.34 C ATOM 718 CG LYS A 48 3.557 -5.262 6.256 1.00 0.41 C ATOM 719 CD LYS A 48 4.524 -6.100 5.426 1.00 0.88 C ATOM 720 CE LYS A 48 3.852 -6.720 4.206 1.00 0.73 C ATOM 721 NZ LYS A 48 3.645 -5.723 3.118 1.00 1.37 N ATOM 0 H LYS A 48 2.654 -3.857 8.290 1.00 0.22 H new ATOM 0 HA LYS A 48 0.326 -5.315 7.212 1.00 0.25 H new ATOM 0 HB2 LYS A 48 2.484 -7.015 6.862 1.00 0.34 H new ATOM 0 HB3 LYS A 48 1.693 -6.092 5.600 1.00 0.34 H new ATOM 0 HG2 LYS A 48 3.342 -4.331 5.732 1.00 0.41 H new ATOM 0 HG3 LYS A 48 4.029 -4.994 7.201 1.00 0.41 H new ATOM 0 HD2 LYS A 48 5.356 -5.475 5.101 1.00 0.88 H new ATOM 0 HD3 LYS A 48 4.943 -6.891 6.049 1.00 0.88 H new ATOM 0 HE2 LYS A 48 4.463 -7.542 3.833 1.00 0.73 H new ATOM 0 HE3 LYS A 48 2.891 -7.144 4.497 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 2.947 -6.089 2.440 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 3.298 -4.831 3.526 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 4.546 -5.552 2.628 1.00 1.37 H new ATOM 735 N ASN A 49 0.201 -6.633 9.288 1.00 0.28 N ATOM 736 CA ASN A 49 0.079 -7.437 10.506 1.00 0.35 C ATOM 737 C ASN A 49 0.933 -6.870 11.641 1.00 0.39 C ATOM 738 O ASN A 49 1.605 -7.614 12.357 1.00 0.50 O ATOM 739 CB ASN A 49 0.485 -8.885 10.226 1.00 0.38 C ATOM 740 CG ASN A 49 0.318 -9.778 11.438 1.00 0.75 C ATOM 741 OD1 ASN A 49 1.287 -10.341 11.950 1.00 1.53 O ATOM 742 ND2 ASN A 49 -0.917 -9.914 11.908 1.00 1.32 N ATOM 0 H ASN A 49 -0.679 -6.482 8.795 1.00 0.28 H new ATOM 0 HA ASN A 49 -0.964 -7.406 10.820 1.00 0.35 H new ATOM 0 HB2 ASN A 49 -0.116 -9.276 9.405 1.00 0.38 H new ATOM 0 HB3 ASN A 49 1.525 -8.911 9.900 1.00 0.38 H new ATOM 0 HD21 ASN A 49 -1.091 -10.502 12.723 1.00 1.32 H new ATOM 0 HD22 ASN A 49 -1.692 -9.430 11.454 1.00 1.32 H new ATOM 749 N GLY A 50 0.904 -5.551 11.797 1.00 0.38 N ATOM 750 CA GLY A 50 1.682 -4.910 12.841 1.00 0.45 C ATOM 751 C GLY A 50 3.126 -4.688 12.431 1.00 0.48 C ATOM 752 O GLY A 50 4.000 -4.518 13.282 1.00 0.68 O ATOM 0 H GLY A 50 0.356 -4.914 11.219 1.00 0.38 H new ATOM 0 HA2 GLY A 50 1.227 -3.952 13.093 1.00 0.45 H new ATOM 0 HA3 GLY A 50 1.653 -5.524 13.741 1.00 0.45 H new ATOM 756 N LYS A 51 3.375 -4.690 11.125 1.00 0.36 N ATOM 757 CA LYS A 51 4.720 -4.490 10.599 1.00 0.39 C ATOM 758 C LYS A 51 4.755 -3.291 9.659 1.00 0.38 C ATOM 759 O LYS A 51 3.996 -3.220 8.698 1.00 0.39 O ATOM 760 CB LYS A 51 5.195 -5.745 9.862 1.00 0.42 C ATOM 761 CG LYS A 51 6.597 -5.621 9.286 1.00 0.53 C ATOM 762 CD LYS A 51 6.561 -5.273 7.806 1.00 0.75 C ATOM 763 CE LYS A 51 7.922 -4.815 7.307 1.00 0.82 C ATOM 764 NZ LYS A 51 8.973 -5.844 7.534 1.00 1.36 N ATOM 0 H LYS A 51 2.660 -4.828 10.410 1.00 0.36 H new ATOM 0 HA LYS A 51 5.390 -4.297 11.437 1.00 0.39 H new ATOM 0 HB2 LYS A 51 5.167 -6.591 10.548 1.00 0.42 H new ATOM 0 HB3 LYS A 51 4.498 -5.967 9.054 1.00 0.42 H new ATOM 0 HG2 LYS A 51 7.148 -4.853 9.828 1.00 0.53 H new ATOM 0 HG3 LYS A 51 7.134 -6.559 9.428 1.00 0.53 H new ATOM 0 HD2 LYS A 51 6.237 -6.143 7.235 1.00 0.75 H new ATOM 0 HD3 LYS A 51 5.826 -4.487 7.634 1.00 0.75 H new ATOM 0 HE2 LYS A 51 7.861 -4.588 6.243 1.00 0.82 H new ATOM 0 HE3 LYS A 51 8.203 -3.892 7.814 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 9.885 -5.492 7.180 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 9.050 -6.043 8.552 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 8.719 -6.717 7.029 1.00 1.36 H new ATOM 778 N GLU A 52 5.649 -2.359 9.931 1.00 0.38 N ATOM 779 CA GLU A 52 5.784 -1.175 9.096 1.00 0.39 C ATOM 780 C GLU A 52 7.072 -1.247 8.293 1.00 0.43 C ATOM 781 O GLU A 52 8.085 -1.747 8.781 1.00 0.49 O ATOM 782 CB GLU A 52 5.762 0.093 9.953 1.00 0.44 C ATOM 783 CG GLU A 52 7.023 0.295 10.776 1.00 1.03 C ATOM 784 CD GLU A 52 6.841 1.320 11.878 1.00 1.38 C ATOM 785 OE1 GLU A 52 5.936 1.135 12.718 1.00 1.90 O ATOM 786 OE2 GLU A 52 7.606 2.308 11.900 1.00 1.71 O ATOM 0 H GLU A 52 6.292 -2.396 10.722 1.00 0.38 H new ATOM 0 HA GLU A 52 4.941 -1.138 8.407 1.00 0.39 H new ATOM 0 HB2 GLU A 52 5.620 0.957 9.304 1.00 0.44 H new ATOM 0 HB3 GLU A 52 4.904 0.053 10.623 1.00 0.44 H new ATOM 0 HG2 GLU A 52 7.322 -0.657 11.216 1.00 1.03 H new ATOM 0 HG3 GLU A 52 7.834 0.612 10.120 1.00 1.03 H new ATOM 793 N PHE A 53 7.043 -0.736 7.070 1.00 0.43 N ATOM 794 CA PHE A 53 8.235 -0.745 6.229 1.00 0.50 C ATOM 795 C PHE A 53 8.370 0.563 5.461 1.00 0.56 C ATOM 796 O PHE A 53 7.376 1.156 5.050 1.00 0.70 O ATOM 797 CB PHE A 53 8.202 -1.926 5.258 1.00 0.57 C ATOM 798 CG PHE A 53 9.453 -2.760 5.291 1.00 1.46 C ATOM 799 CD1 PHE A 53 10.087 -3.033 6.491 1.00 2.42 C ATOM 800 CD2 PHE A 53 9.991 -3.273 4.121 1.00 1.99 C ATOM 801 CE1 PHE A 53 11.237 -3.799 6.526 1.00 3.55 C ATOM 802 CE2 PHE A 53 11.141 -4.040 4.150 1.00 3.14 C ATOM 803 CZ PHE A 53 11.765 -4.302 5.351 1.00 3.85 C ATOM 0 H PHE A 53 6.219 -0.315 6.641 1.00 0.43 H new ATOM 0 HA PHE A 53 9.103 -0.852 6.880 1.00 0.50 H new ATOM 0 HB2 PHE A 53 7.346 -2.558 5.495 1.00 0.57 H new ATOM 0 HB3 PHE A 53 8.051 -1.551 4.246 1.00 0.57 H new ATOM 0 HD1 PHE A 53 9.678 -2.643 7.411 1.00 2.42 H new ATOM 0 HD2 PHE A 53 9.507 -3.071 3.177 1.00 1.99 H new ATOM 0 HE1 PHE A 53 11.722 -4.004 7.469 1.00 3.55 H new ATOM 0 HE2 PHE A 53 11.551 -4.434 3.232 1.00 3.14 H new ATOM 0 HZ PHE A 53 12.665 -4.899 5.374 1.00 3.85 H new ATOM 813 N LYS A 54 9.608 1.001 5.259 1.00 0.64 N ATOM 814 CA LYS A 54 9.867 2.232 4.527 1.00 0.77 C ATOM 815 C LYS A 54 10.168 1.923 3.065 1.00 1.29 C ATOM 816 O LYS A 54 10.866 0.956 2.756 1.00 1.12 O ATOM 817 CB LYS A 54 11.039 2.993 5.154 1.00 0.86 C ATOM 818 CG LYS A 54 10.626 4.286 5.837 1.00 1.43 C ATOM 819 CD LYS A 54 11.084 4.322 7.287 1.00 1.82 C ATOM 820 CE LYS A 54 9.999 4.873 8.198 1.00 2.44 C ATOM 821 NZ LYS A 54 9.720 6.310 7.921 1.00 3.19 N ATOM 0 H LYS A 54 10.445 0.522 5.592 1.00 0.64 H new ATOM 0 HA LYS A 54 8.976 2.858 4.580 1.00 0.77 H new ATOM 0 HB2 LYS A 54 11.533 2.349 5.882 1.00 0.86 H new ATOM 0 HB3 LYS A 54 11.772 3.219 4.379 1.00 0.86 H new ATOM 0 HG2 LYS A 54 11.050 5.134 5.299 1.00 1.43 H new ATOM 0 HG3 LYS A 54 9.542 4.391 5.794 1.00 1.43 H new ATOM 0 HD2 LYS A 54 11.356 3.317 7.609 1.00 1.82 H new ATOM 0 HD3 LYS A 54 11.980 4.937 7.372 1.00 1.82 H new ATOM 0 HE2 LYS A 54 9.085 4.294 8.066 1.00 2.44 H new ATOM 0 HE3 LYS A 54 10.304 4.756 9.238 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 8.975 6.649 8.562 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 10.585 6.867 8.071 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 9.405 6.419 6.936 1.00 3.19 H new ATOM 835 N GLN A 55 9.636 2.743 2.166 1.00 2.12 N ATOM 836 CA GLN A 55 9.848 2.543 0.737 1.00 2.84 C ATOM 837 C GLN A 55 11.334 2.573 0.393 1.00 2.74 C ATOM 838 O GLN A 55 11.749 2.067 -0.650 1.00 3.04 O ATOM 839 CB GLN A 55 9.099 3.611 -0.067 1.00 3.80 C ATOM 840 CG GLN A 55 9.710 5.001 0.035 1.00 4.05 C ATOM 841 CD GLN A 55 9.227 5.760 1.256 1.00 4.76 C ATOM 842 OE1 GLN A 55 9.508 5.378 2.392 1.00 5.13 O ATOM 843 NE2 GLN A 55 8.496 6.844 1.025 1.00 5.27 N ATOM 0 H GLN A 55 9.057 3.550 2.400 1.00 2.12 H new ATOM 0 HA GLN A 55 9.457 1.561 0.473 1.00 2.84 H new ATOM 0 HB2 GLN A 55 9.074 3.312 -1.115 1.00 3.80 H new ATOM 0 HB3 GLN A 55 8.066 3.653 0.277 1.00 3.80 H new ATOM 0 HG2 GLN A 55 10.796 4.915 0.071 1.00 4.05 H new ATOM 0 HG3 GLN A 55 9.465 5.569 -0.862 1.00 4.05 H new ATOM 0 HE21 GLN A 55 8.287 7.124 0.067 1.00 5.27 H new ATOM 0 HE22 GLN A 55 8.143 7.397 1.806 1.00 5.27 H new ATOM 852 N GLU A 56 12.133 3.171 1.272 1.00 2.55 N ATOM 853 CA GLU A 56 13.573 3.268 1.056 1.00 2.90 C ATOM 854 C GLU A 56 14.244 1.900 1.152 1.00 2.31 C ATOM 855 O GLU A 56 15.369 1.720 0.684 1.00 2.87 O ATOM 856 CB GLU A 56 14.192 4.225 2.076 1.00 3.47 C ATOM 857 CG GLU A 56 14.594 5.566 1.485 1.00 4.30 C ATOM 858 CD GLU A 56 15.587 5.429 0.348 1.00 5.06 C ATOM 859 OE1 GLU A 56 16.460 4.540 0.427 1.00 5.55 O ATOM 860 OE2 GLU A 56 15.491 6.210 -0.622 1.00 5.47 O ATOM 0 H GLU A 56 11.808 3.596 2.140 1.00 2.55 H new ATOM 0 HA GLU A 56 13.736 3.654 0.050 1.00 2.90 H new ATOM 0 HB2 GLU A 56 13.480 4.392 2.884 1.00 3.47 H new ATOM 0 HB3 GLU A 56 15.070 3.754 2.518 1.00 3.47 H new ATOM 0 HG2 GLU A 56 13.704 6.081 1.125 1.00 4.30 H new ATOM 0 HG3 GLU A 56 15.028 6.188 2.268 1.00 4.30 H new ATOM 867 N HIS A 57 13.558 0.936 1.764 1.00 1.41 N ATOM 868 CA HIS A 57 14.110 -0.406 1.918 1.00 1.04 C ATOM 869 C HIS A 57 13.043 -1.478 1.715 1.00 0.97 C ATOM 870 O HIS A 57 11.970 -1.425 2.316 1.00 1.34 O ATOM 871 CB HIS A 57 14.737 -0.563 3.304 1.00 1.30 C ATOM 872 CG HIS A 57 15.853 0.401 3.568 1.00 1.65 C ATOM 873 ND1 HIS A 57 15.654 1.652 4.114 1.00 2.34 N ATOM 874 CD2 HIS A 57 17.186 0.292 3.363 1.00 2.26 C ATOM 875 CE1 HIS A 57 16.814 2.271 4.231 1.00 2.86 C ATOM 876 NE2 HIS A 57 17.760 1.467 3.783 1.00 2.77 N ATOM 0 H HIS A 57 12.625 1.059 2.158 1.00 1.41 H new ATOM 0 HA HIS A 57 14.875 -0.537 1.153 1.00 1.04 H new ATOM 0 HB2 HIS A 57 13.964 -0.428 4.061 1.00 1.30 H new ATOM 0 HB3 HIS A 57 15.113 -1.580 3.411 1.00 1.30 H new ATOM 0 HD2 HIS A 57 17.702 -0.560 2.947 1.00 2.26 H new ATOM 0 HE1 HIS A 57 16.963 3.265 4.626 1.00 2.86 H new ATOM 0 HE2 HIS A 57 18.756 1.683 3.753 1.00 2.77 H new ATOM 885 N ARG A 58 13.355 -2.460 0.874 1.00 1.00 N ATOM 886 CA ARG A 58 12.438 -3.560 0.602 1.00 0.92 C ATOM 887 C ARG A 58 13.212 -4.859 0.398 1.00 0.69 C ATOM 888 O ARG A 58 14.345 -4.850 -0.083 1.00 0.78 O ATOM 889 CB ARG A 58 11.574 -3.257 -0.619 1.00 1.23 C ATOM 890 CG ARG A 58 10.084 -3.433 -0.361 1.00 1.36 C ATOM 891 CD ARG A 58 9.737 -4.885 -0.070 1.00 1.75 C ATOM 892 NE ARG A 58 9.560 -5.127 1.358 1.00 2.44 N ATOM 893 CZ ARG A 58 8.870 -6.146 1.856 1.00 3.22 C ATOM 894 NH1 ARG A 58 8.291 -7.020 1.043 1.00 3.53 N ATOM 895 NH2 ARG A 58 8.758 -6.295 3.169 1.00 3.98 N ATOM 0 H ARG A 58 14.239 -2.515 0.368 1.00 1.00 H new ATOM 0 HA ARG A 58 11.781 -3.677 1.463 1.00 0.92 H new ATOM 0 HB2 ARG A 58 11.761 -2.233 -0.943 1.00 1.23 H new ATOM 0 HB3 ARG A 58 11.873 -3.910 -1.439 1.00 1.23 H new ATOM 0 HG2 ARG A 58 9.783 -2.810 0.481 1.00 1.36 H new ATOM 0 HG3 ARG A 58 9.520 -3.090 -1.228 1.00 1.36 H new ATOM 0 HD2 ARG A 58 8.823 -5.153 -0.600 1.00 1.75 H new ATOM 0 HD3 ARG A 58 10.528 -5.531 -0.452 1.00 1.75 H new ATOM 0 HE ARG A 58 9.992 -4.475 2.012 1.00 2.44 H new ATOM 0 HH11 ARG A 58 8.375 -6.910 0.032 1.00 3.53 H new ATOM 0 HH12 ARG A 58 7.762 -7.802 1.428 1.00 3.53 H new ATOM 0 HH21 ARG A 58 9.202 -5.626 3.798 1.00 3.98 H new ATOM 0 HH22 ARG A 58 8.227 -7.078 3.550 1.00 3.98 H new ATOM 909 N ILE A 59 12.589 -5.978 0.748 1.00 0.67 N ATOM 910 CA ILE A 59 13.227 -7.278 0.602 1.00 0.66 C ATOM 911 C ILE A 59 13.352 -7.679 -0.861 1.00 0.59 C ATOM 912 O ILE A 59 12.425 -8.243 -1.444 1.00 0.57 O ATOM 913 CB ILE A 59 12.459 -8.377 1.360 1.00 0.95 C ATOM 914 CG1 ILE A 59 12.293 -7.993 2.831 1.00 1.05 C ATOM 915 CG2 ILE A 59 13.183 -9.709 1.233 1.00 1.16 C ATOM 916 CD1 ILE A 59 11.544 -9.027 3.642 1.00 1.64 C ATOM 0 H ILE A 59 11.645 -6.010 1.134 1.00 0.67 H new ATOM 0 HA ILE A 59 14.224 -7.180 1.032 1.00 0.66 H new ATOM 0 HB ILE A 59 11.468 -8.479 0.918 1.00 0.95 H new ATOM 0 HG12 ILE A 59 13.278 -7.840 3.272 1.00 1.05 H new ATOM 0 HG13 ILE A 59 11.765 -7.041 2.893 1.00 1.05 H new ATOM 0 HG21 ILE A 59 12.629 -10.477 1.773 1.00 1.16 H new ATOM 0 HG22 ILE A 59 13.254 -9.986 0.181 1.00 1.16 H new ATOM 0 HG23 ILE A 59 14.185 -9.620 1.653 1.00 1.16 H new ATOM 0 HD11 ILE A 59 11.463 -8.690 4.675 1.00 1.64 H new ATOM 0 HD12 ILE A 59 10.546 -9.163 3.225 1.00 1.64 H new ATOM 0 HD13 ILE A 59 12.083 -9.974 3.610 1.00 1.64 H new ATOM 928 N GLY A 60 14.509 -7.397 -1.441 1.00 0.70 N ATOM 929 CA GLY A 60 14.745 -7.748 -2.825 1.00 0.77 C ATOM 930 C GLY A 60 14.480 -6.605 -3.784 1.00 0.74 C ATOM 931 O GLY A 60 14.790 -6.712 -4.970 1.00 0.79 O ATOM 0 H GLY A 60 15.289 -6.931 -0.977 1.00 0.70 H new ATOM 0 HA2 GLY A 60 15.778 -8.077 -2.939 1.00 0.77 H new ATOM 0 HA3 GLY A 60 14.110 -8.593 -3.092 1.00 0.77 H new ATOM 935 N GLY A 61 13.897 -5.512 -3.292 1.00 0.70 N ATOM 936 CA GLY A 61 13.609 -4.388 -4.169 1.00 0.72 C ATOM 937 C GLY A 61 12.192 -3.871 -4.004 1.00 0.74 C ATOM 938 O GLY A 61 11.339 -4.554 -3.436 1.00 1.20 O ATOM 0 H GLY A 61 13.623 -5.385 -2.318 1.00 0.70 H new ATOM 0 HA2 GLY A 61 14.313 -3.581 -3.964 1.00 0.72 H new ATOM 0 HA3 GLY A 61 13.764 -4.690 -5.205 1.00 0.72 H new ATOM 942 N TYR A 62 11.938 -2.659 -4.496 1.00 0.69 N ATOM 943 CA TYR A 62 10.612 -2.053 -4.387 1.00 0.84 C ATOM 944 C TYR A 62 10.265 -1.230 -5.624 1.00 0.73 C ATOM 945 O TYR A 62 11.150 -0.747 -6.331 1.00 0.97 O ATOM 946 CB TYR A 62 10.556 -1.154 -3.154 1.00 1.36 C ATOM 947 CG TYR A 62 11.796 -0.308 -2.976 1.00 1.92 C ATOM 948 CD1 TYR A 62 12.999 -0.878 -2.579 1.00 2.32 C ATOM 949 CD2 TYR A 62 11.761 1.063 -3.199 1.00 2.43 C ATOM 950 CE1 TYR A 62 14.133 -0.105 -2.411 1.00 3.05 C ATOM 951 CE2 TYR A 62 12.891 1.841 -3.035 1.00 3.07 C ATOM 952 CZ TYR A 62 14.081 1.245 -2.658 1.00 3.35 C ATOM 953 OH TYR A 62 15.199 2.025 -2.474 1.00 4.10 O ATOM 0 H TYR A 62 12.630 -2.080 -4.972 1.00 0.69 H new ATOM 0 HA TYR A 62 9.885 -2.860 -4.299 1.00 0.84 H new ATOM 0 HB2 TYR A 62 9.686 -0.501 -3.228 1.00 1.36 H new ATOM 0 HB3 TYR A 62 10.416 -1.773 -2.268 1.00 1.36 H new ATOM 0 HD1 TYR A 62 13.049 -1.942 -2.399 1.00 2.32 H new ATOM 0 HD2 TYR A 62 10.836 1.528 -3.505 1.00 2.43 H new ATOM 0 HE1 TYR A 62 15.057 -0.561 -2.087 1.00 3.05 H new ATOM 0 HE2 TYR A 62 12.845 2.907 -3.200 1.00 3.07 H new ATOM 0 HH TYR A 62 15.413 2.070 -1.519 1.00 4.10 H new ATOM 963 N LYS A 63 8.968 -1.061 -5.864 1.00 0.66 N ATOM 964 CA LYS A 63 8.491 -0.278 -7.001 1.00 0.78 C ATOM 965 C LYS A 63 7.124 0.333 -6.696 1.00 0.67 C ATOM 966 O LYS A 63 6.235 -0.340 -6.176 1.00 0.54 O ATOM 967 CB LYS A 63 8.416 -1.140 -8.260 1.00 1.11 C ATOM 968 CG LYS A 63 8.976 -0.458 -9.498 1.00 1.28 C ATOM 969 CD LYS A 63 10.495 -0.416 -9.470 1.00 1.83 C ATOM 970 CE LYS A 63 11.098 -1.763 -9.839 1.00 2.36 C ATOM 971 NZ LYS A 63 12.310 -1.615 -10.691 1.00 3.18 N ATOM 0 H LYS A 63 8.227 -1.456 -5.285 1.00 0.66 H new ATOM 0 HA LYS A 63 9.202 0.529 -7.178 1.00 0.78 H new ATOM 0 HB2 LYS A 63 8.962 -2.068 -8.088 1.00 1.11 H new ATOM 0 HB3 LYS A 63 7.376 -1.411 -8.443 1.00 1.11 H new ATOM 0 HG2 LYS A 63 8.642 -0.988 -10.390 1.00 1.28 H new ATOM 0 HG3 LYS A 63 8.584 0.557 -9.565 1.00 1.28 H new ATOM 0 HD2 LYS A 63 10.852 0.345 -10.164 1.00 1.83 H new ATOM 0 HD3 LYS A 63 10.834 -0.125 -8.476 1.00 1.83 H new ATOM 0 HE2 LYS A 63 11.358 -2.306 -8.930 1.00 2.36 H new ATOM 0 HE3 LYS A 63 10.355 -2.361 -10.366 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 12.690 -2.555 -10.920 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 12.058 -1.120 -11.570 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 13.030 -1.066 -10.179 1.00 3.18 H new ATOM 985 N VAL A 64 6.965 1.610 -7.026 1.00 0.81 N ATOM 986 CA VAL A 64 5.706 2.308 -6.789 1.00 0.77 C ATOM 987 C VAL A 64 5.332 3.198 -7.973 1.00 0.82 C ATOM 988 O VAL A 64 6.194 3.844 -8.569 1.00 0.89 O ATOM 989 CB VAL A 64 5.773 3.173 -5.517 1.00 0.85 C ATOM 990 CG1 VAL A 64 6.025 2.308 -4.294 1.00 1.49 C ATOM 991 CG2 VAL A 64 6.847 4.240 -5.655 1.00 1.71 C ATOM 0 H VAL A 64 7.691 2.182 -7.458 1.00 0.81 H new ATOM 0 HA VAL A 64 4.943 1.540 -6.661 1.00 0.77 H new ATOM 0 HB VAL A 64 4.812 3.671 -5.387 1.00 0.85 H new ATOM 0 HG11 VAL A 64 6.069 2.938 -3.406 1.00 1.49 H new ATOM 0 HG12 VAL A 64 5.216 1.585 -4.187 1.00 1.49 H new ATOM 0 HG13 VAL A 64 6.971 1.779 -4.411 1.00 1.49 H new ATOM 0 HG21 VAL A 64 6.880 4.842 -4.747 1.00 1.71 H new ATOM 0 HG22 VAL A 64 7.815 3.764 -5.811 1.00 1.71 H new ATOM 0 HG23 VAL A 64 6.617 4.880 -6.507 1.00 1.71 H new ATOM 1001 N ARG A 65 4.046 3.229 -8.312 1.00 0.82 N ATOM 1002 CA ARG A 65 3.572 4.043 -9.428 1.00 0.92 C ATOM 1003 C ARG A 65 3.217 5.459 -8.975 1.00 1.03 C ATOM 1004 O ARG A 65 2.277 5.660 -8.206 1.00 1.18 O ATOM 1005 CB ARG A 65 2.355 3.389 -10.083 1.00 0.96 C ATOM 1006 CG ARG A 65 1.961 4.026 -11.405 1.00 1.51 C ATOM 1007 CD ARG A 65 2.811 3.502 -12.550 1.00 2.02 C ATOM 1008 NE ARG A 65 2.996 4.498 -13.600 1.00 2.60 N ATOM 1009 CZ ARG A 65 2.042 4.857 -14.452 1.00 3.22 C ATOM 1010 NH1 ARG A 65 0.837 4.309 -14.370 1.00 3.52 N ATOM 1011 NH2 ARG A 65 2.290 5.766 -15.384 1.00 3.99 N ATOM 0 H ARG A 65 3.316 2.702 -7.832 1.00 0.82 H new ATOM 0 HA ARG A 65 4.381 4.111 -10.155 1.00 0.92 H new ATOM 0 HB2 ARG A 65 2.565 2.332 -10.247 1.00 0.96 H new ATOM 0 HB3 ARG A 65 1.510 3.444 -9.397 1.00 0.96 H new ATOM 0 HG2 ARG A 65 0.910 3.824 -11.609 1.00 1.51 H new ATOM 0 HG3 ARG A 65 2.070 5.108 -11.335 1.00 1.51 H new ATOM 0 HD2 ARG A 65 3.784 3.195 -12.167 1.00 2.02 H new ATOM 0 HD3 ARG A 65 2.341 2.614 -12.973 1.00 2.02 H new ATOM 0 HE ARG A 65 3.909 4.944 -13.685 1.00 2.60 H new ATOM 0 HH11 ARG A 65 0.642 3.611 -13.652 1.00 3.52 H new ATOM 0 HH12 ARG A 65 0.105 4.585 -15.025 1.00 3.52 H new ATOM 0 HH21 ARG A 65 3.215 6.191 -15.448 1.00 3.99 H new ATOM 0 HH22 ARG A 65 1.556 6.040 -16.037 1.00 3.99 H new ATOM 1025 N ASN A 66 3.974 6.435 -9.471 1.00 1.03 N ATOM 1026 CA ASN A 66 3.751 7.842 -9.140 1.00 1.16 C ATOM 1027 C ASN A 66 3.555 8.061 -7.640 1.00 1.03 C ATOM 1028 O ASN A 66 2.965 9.055 -7.227 1.00 1.79 O ATOM 1029 CB ASN A 66 2.534 8.373 -9.900 1.00 1.96 C ATOM 1030 CG ASN A 66 2.920 9.107 -11.168 1.00 2.83 C ATOM 1031 OD1 ASN A 66 2.413 8.812 -12.251 1.00 3.41 O ATOM 1032 ND2 ASN A 66 3.825 10.073 -11.042 1.00 3.48 N ATOM 0 H ASN A 66 4.754 6.276 -10.109 1.00 1.03 H new ATOM 0 HA ASN A 66 4.645 8.389 -9.439 1.00 1.16 H new ATOM 0 HB2 ASN A 66 1.875 7.542 -10.151 1.00 1.96 H new ATOM 0 HB3 ASN A 66 1.969 9.044 -9.253 1.00 1.96 H new ATOM 0 HD21 ASN A 66 4.124 10.602 -11.861 1.00 3.48 H new ATOM 0 HD22 ASN A 66 4.220 10.285 -10.126 1.00 3.48 H new ATOM 1039 N GLN A 67 4.062 7.145 -6.824 1.00 1.15 N ATOM 1040 CA GLN A 67 3.938 7.265 -5.375 1.00 1.99 C ATOM 1041 C GLN A 67 2.475 7.383 -4.938 1.00 1.73 C ATOM 1042 O GLN A 67 2.192 7.803 -3.816 1.00 2.55 O ATOM 1043 CB GLN A 67 4.727 8.478 -4.877 1.00 2.86 C ATOM 1044 CG GLN A 67 6.191 8.460 -5.279 1.00 3.88 C ATOM 1045 CD GLN A 67 7.124 8.541 -4.086 1.00 4.69 C ATOM 1046 OE1 GLN A 67 7.818 9.539 -3.894 1.00 5.12 O ATOM 1047 NE2 GLN A 67 7.141 7.489 -3.276 1.00 5.31 N ATOM 0 H GLN A 67 4.561 6.313 -7.139 1.00 1.15 H new ATOM 0 HA GLN A 67 4.347 6.356 -4.934 1.00 1.99 H new ATOM 0 HB2 GLN A 67 4.264 9.386 -5.264 1.00 2.86 H new ATOM 0 HB3 GLN A 67 4.658 8.524 -3.790 1.00 2.86 H new ATOM 0 HG2 GLN A 67 6.400 7.547 -5.837 1.00 3.88 H new ATOM 0 HG3 GLN A 67 6.390 9.296 -5.949 1.00 3.88 H new ATOM 0 HE21 GLN A 67 6.548 6.683 -3.474 1.00 5.31 H new ATOM 0 HE22 GLN A 67 7.747 7.487 -2.455 1.00 5.31 H new ATOM 1056 N HIS A 68 1.548 6.999 -5.816 1.00 0.89 N ATOM 1057 CA HIS A 68 0.123 7.055 -5.492 1.00 0.62 C ATOM 1058 C HIS A 68 -0.713 6.324 -6.546 1.00 0.68 C ATOM 1059 O HIS A 68 -1.349 6.937 -7.402 1.00 1.37 O ATOM 1060 CB HIS A 68 -0.348 8.512 -5.323 1.00 0.63 C ATOM 1061 CG HIS A 68 -0.479 9.286 -6.599 1.00 1.42 C ATOM 1062 ND1 HIS A 68 0.592 9.855 -7.250 1.00 2.23 N ATOM 1063 CD2 HIS A 68 -1.572 9.594 -7.337 1.00 2.22 C ATOM 1064 CE1 HIS A 68 0.165 10.482 -8.334 1.00 2.85 C ATOM 1065 NE2 HIS A 68 -1.144 10.336 -8.409 1.00 2.83 N ATOM 0 H HIS A 68 1.756 6.648 -6.751 1.00 0.89 H new ATOM 0 HA HIS A 68 -0.023 6.544 -4.540 1.00 0.62 H new ATOM 0 HB2 HIS A 68 -1.313 8.510 -4.816 1.00 0.63 H new ATOM 0 HB3 HIS A 68 0.354 9.032 -4.671 1.00 0.63 H new ATOM 0 HD1 HIS A 68 1.564 9.802 -6.944 1.00 2.23 H new ATOM 0 HD2 HIS A 68 -2.591 9.309 -7.122 1.00 2.22 H new ATOM 0 HE1 HIS A 68 0.782 11.021 -9.037 1.00 2.85 H new ATOM 1074 N TRP A 69 -0.707 4.997 -6.470 1.00 0.51 N ATOM 1075 CA TRP A 69 -1.460 4.172 -7.406 1.00 0.45 C ATOM 1076 C TRP A 69 -1.252 2.693 -7.101 1.00 0.37 C ATOM 1077 O TRP A 69 -2.171 2.000 -6.668 1.00 0.44 O ATOM 1078 CB TRP A 69 -1.034 4.473 -8.845 1.00 0.56 C ATOM 1079 CG TRP A 69 -2.184 4.798 -9.749 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -3.505 4.550 -9.517 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -2.113 5.429 -11.032 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -4.260 4.987 -10.577 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -3.430 5.533 -11.519 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -1.065 5.919 -11.817 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -3.725 6.103 -12.755 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 -1.359 6.486 -13.043 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -2.680 6.575 -13.500 1.00 3.14 C ATOM 0 H TRP A 69 -0.188 4.470 -5.768 1.00 0.51 H new ATOM 0 HA TRP A 69 -2.518 4.408 -7.295 1.00 0.45 H new ATOM 0 HB2 TRP A 69 -0.336 5.310 -8.842 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -0.498 3.612 -9.245 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -3.899 4.079 -8.629 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -5.275 4.916 -10.651 1.00 1.72 H new ATOM 0 HE3 TRP A 69 -0.044 5.856 -11.472 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -4.742 6.170 -13.112 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 -0.557 6.866 -13.658 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -2.877 7.026 -14.461 1.00 3.14 H new ATOM 1098 N SER A 70 -0.029 2.222 -7.320 1.00 0.35 N ATOM 1099 CA SER A 70 0.317 0.832 -7.060 1.00 0.33 C ATOM 1100 C SER A 70 1.708 0.740 -6.446 1.00 0.36 C ATOM 1101 O SER A 70 2.567 1.582 -6.707 1.00 0.39 O ATOM 1102 CB SER A 70 0.254 0.010 -8.352 1.00 0.40 C ATOM 1103 OG SER A 70 0.976 0.644 -9.394 1.00 1.02 O ATOM 0 H SER A 70 0.741 2.786 -7.679 1.00 0.35 H new ATOM 0 HA SER A 70 -0.407 0.424 -6.355 1.00 0.33 H new ATOM 0 HB2 SER A 70 0.663 -0.985 -8.175 1.00 0.40 H new ATOM 0 HB3 SER A 70 -0.785 -0.122 -8.653 1.00 0.40 H new ATOM 0 HG SER A 70 0.922 0.100 -10.207 1.00 1.02 H new ATOM 1109 N LEU A 71 1.930 -0.287 -5.636 1.00 0.38 N ATOM 1110 CA LEU A 71 3.222 -0.486 -4.993 1.00 0.44 C ATOM 1111 C LEU A 71 3.568 -1.967 -4.944 1.00 0.44 C ATOM 1112 O LEU A 71 2.813 -2.771 -4.398 1.00 0.52 O ATOM 1113 CB LEU A 71 3.209 0.097 -3.580 1.00 0.51 C ATOM 1114 CG LEU A 71 2.055 -0.377 -2.695 1.00 0.63 C ATOM 1115 CD1 LEU A 71 2.517 -0.537 -1.256 1.00 0.98 C ATOM 1116 CD2 LEU A 71 0.886 0.594 -2.778 1.00 0.80 C ATOM 0 H LEU A 71 1.232 -0.995 -5.409 1.00 0.38 H new ATOM 0 HA LEU A 71 3.982 0.032 -5.579 1.00 0.44 H new ATOM 0 HB2 LEU A 71 4.150 -0.155 -3.090 1.00 0.51 H new ATOM 0 HB3 LEU A 71 3.169 1.184 -3.652 1.00 0.51 H new ATOM 0 HG LEU A 71 1.720 -1.349 -3.057 1.00 0.63 H new ATOM 0 HD11 LEU A 71 1.683 -0.875 -0.641 1.00 0.98 H new ATOM 0 HD12 LEU A 71 3.321 -1.272 -1.212 1.00 0.98 H new ATOM 0 HD13 LEU A 71 2.879 0.420 -0.882 1.00 0.98 H new ATOM 0 HD21 LEU A 71 0.074 0.241 -2.142 1.00 0.80 H new ATOM 0 HD22 LEU A 71 1.207 1.580 -2.442 1.00 0.80 H new ATOM 0 HD23 LEU A 71 0.538 0.657 -3.809 1.00 0.80 H new ATOM 1128 N ILE A 72 4.709 -2.329 -5.519 1.00 0.39 N ATOM 1129 CA ILE A 72 5.134 -3.721 -5.530 1.00 0.39 C ATOM 1130 C ILE A 72 6.196 -3.985 -4.467 1.00 0.36 C ATOM 1131 O ILE A 72 7.287 -3.417 -4.509 1.00 0.38 O ATOM 1132 CB ILE A 72 5.675 -4.142 -6.912 1.00 0.42 C ATOM 1133 CG1 ILE A 72 5.837 -5.663 -6.975 1.00 0.44 C ATOM 1134 CG2 ILE A 72 6.995 -3.450 -7.208 1.00 0.45 C ATOM 1135 CD1 ILE A 72 6.527 -6.145 -8.232 1.00 1.12 C ATOM 0 H ILE A 72 5.351 -1.683 -5.980 1.00 0.39 H new ATOM 0 HA ILE A 72 4.250 -4.319 -5.306 1.00 0.39 H new ATOM 0 HB ILE A 72 4.956 -3.836 -7.672 1.00 0.42 H new ATOM 0 HG12 ILE A 72 6.406 -5.996 -6.107 1.00 0.44 H new ATOM 0 HG13 ILE A 72 4.853 -6.128 -6.909 1.00 0.44 H new ATOM 0 HG21 ILE A 72 7.358 -3.762 -8.187 1.00 0.45 H new ATOM 0 HG22 ILE A 72 6.849 -2.370 -7.202 1.00 0.45 H new ATOM 0 HG23 ILE A 72 7.727 -3.721 -6.447 1.00 0.45 H new ATOM 0 HD11 ILE A 72 6.608 -7.232 -8.209 1.00 1.12 H new ATOM 0 HD12 ILE A 72 5.947 -5.843 -9.104 1.00 1.12 H new ATOM 0 HD13 ILE A 72 7.524 -5.708 -8.290 1.00 1.12 H new ATOM 1147 N MET A 73 5.861 -4.851 -3.516 1.00 0.36 N ATOM 1148 CA MET A 73 6.777 -5.196 -2.433 1.00 0.36 C ATOM 1149 C MET A 73 7.104 -6.687 -2.462 1.00 0.33 C ATOM 1150 O MET A 73 6.213 -7.530 -2.377 1.00 0.43 O ATOM 1151 CB MET A 73 6.171 -4.826 -1.074 1.00 0.43 C ATOM 1152 CG MET A 73 5.179 -3.673 -1.134 1.00 0.83 C ATOM 1153 SD MET A 73 4.506 -3.249 0.483 1.00 1.86 S ATOM 1154 CE MET A 73 5.461 -1.787 0.878 1.00 2.56 C ATOM 0 H MET A 73 4.960 -5.328 -3.473 1.00 0.36 H new ATOM 0 HA MET A 73 7.697 -4.628 -2.576 1.00 0.36 H new ATOM 0 HB2 MET A 73 5.671 -5.701 -0.660 1.00 0.43 H new ATOM 0 HB3 MET A 73 6.976 -4.564 -0.387 1.00 0.43 H new ATOM 0 HG2 MET A 73 5.671 -2.798 -1.559 1.00 0.83 H new ATOM 0 HG3 MET A 73 4.362 -3.937 -1.805 1.00 0.83 H new ATOM 0 HE1 MET A 73 5.235 -1.469 1.896 1.00 2.56 H new ATOM 0 HE2 MET A 73 6.524 -2.014 0.796 1.00 2.56 H new ATOM 0 HE3 MET A 73 5.206 -0.987 0.183 1.00 2.56 H new ATOM 1164 N GLU A 74 8.388 -7.002 -2.585 1.00 0.33 N ATOM 1165 CA GLU A 74 8.838 -8.389 -2.626 1.00 0.31 C ATOM 1166 C GLU A 74 8.959 -8.964 -1.217 1.00 0.31 C ATOM 1167 O GLU A 74 9.758 -8.488 -0.412 1.00 0.37 O ATOM 1168 CB GLU A 74 10.183 -8.484 -3.352 1.00 0.37 C ATOM 1169 CG GLU A 74 10.835 -9.854 -3.262 1.00 0.41 C ATOM 1170 CD GLU A 74 9.900 -10.974 -3.673 1.00 0.89 C ATOM 1171 OE1 GLU A 74 9.098 -11.417 -2.825 1.00 1.52 O ATOM 1172 OE2 GLU A 74 9.966 -11.405 -4.844 1.00 1.12 O ATOM 0 H GLU A 74 9.138 -6.314 -2.658 1.00 0.33 H new ATOM 0 HA GLU A 74 8.097 -8.974 -3.171 1.00 0.31 H new ATOM 0 HB2 GLU A 74 10.037 -8.230 -4.402 1.00 0.37 H new ATOM 0 HB3 GLU A 74 10.863 -7.741 -2.936 1.00 0.37 H new ATOM 0 HG2 GLU A 74 11.720 -9.873 -3.898 1.00 0.41 H new ATOM 0 HG3 GLU A 74 11.173 -10.025 -2.240 1.00 0.41 H new ATOM 1179 N SER A 75 8.162 -9.989 -0.925 1.00 0.29 N ATOM 1180 CA SER A 75 8.188 -10.625 0.386 1.00 0.33 C ATOM 1181 C SER A 75 8.258 -12.143 0.257 1.00 0.33 C ATOM 1182 O SER A 75 7.280 -12.790 -0.113 1.00 0.38 O ATOM 1183 CB SER A 75 6.948 -10.227 1.192 1.00 0.41 C ATOM 1184 OG SER A 75 5.890 -11.148 0.998 1.00 1.32 O ATOM 0 H SER A 75 7.492 -10.395 -1.578 1.00 0.29 H new ATOM 0 HA SER A 75 9.081 -10.283 0.909 1.00 0.33 H new ATOM 0 HB2 SER A 75 7.201 -10.178 2.251 1.00 0.41 H new ATOM 0 HB3 SER A 75 6.624 -9.230 0.895 1.00 0.41 H new ATOM 0 HG SER A 75 5.996 -11.590 0.130 1.00 1.32 H new ATOM 1190 N VAL A 76 9.421 -12.709 0.571 1.00 0.37 N ATOM 1191 CA VAL A 76 9.605 -14.153 0.490 1.00 0.41 C ATOM 1192 C VAL A 76 9.268 -14.818 1.820 1.00 0.43 C ATOM 1193 O VAL A 76 8.523 -15.798 1.862 1.00 0.46 O ATOM 1194 CB VAL A 76 11.046 -14.523 0.082 1.00 0.48 C ATOM 1195 CG1 VAL A 76 12.047 -14.045 1.122 1.00 1.54 C ATOM 1196 CG2 VAL A 76 11.168 -16.025 -0.135 1.00 1.33 C ATOM 0 H VAL A 76 10.244 -12.193 0.882 1.00 0.37 H new ATOM 0 HA VAL A 76 8.924 -14.518 -0.279 1.00 0.41 H new ATOM 0 HB VAL A 76 11.274 -14.019 -0.857 1.00 0.48 H new ATOM 0 HG11 VAL A 76 13.055 -14.319 0.810 1.00 1.54 H new ATOM 0 HG12 VAL A 76 11.979 -12.962 1.221 1.00 1.54 H new ATOM 0 HG13 VAL A 76 11.825 -14.512 2.082 1.00 1.54 H new ATOM 0 HG21 VAL A 76 12.191 -16.269 -0.422 1.00 1.33 H new ATOM 0 HG22 VAL A 76 10.916 -16.548 0.788 1.00 1.33 H new ATOM 0 HG23 VAL A 76 10.485 -16.335 -0.926 1.00 1.33 H new ATOM 1206 N VAL A 77 9.810 -14.275 2.906 1.00 0.45 N ATOM 1207 CA VAL A 77 9.556 -14.820 4.238 1.00 0.49 C ATOM 1208 C VAL A 77 8.356 -14.136 4.893 1.00 0.45 C ATOM 1209 O VAL A 77 7.469 -14.803 5.425 1.00 0.47 O ATOM 1210 CB VAL A 77 10.782 -14.687 5.167 1.00 0.57 C ATOM 1211 CG1 VAL A 77 10.721 -15.728 6.274 1.00 0.80 C ATOM 1212 CG2 VAL A 77 12.078 -14.815 4.379 1.00 0.77 C ATOM 0 H VAL A 77 10.425 -13.462 2.892 1.00 0.45 H new ATOM 0 HA VAL A 77 9.342 -15.880 4.099 1.00 0.49 H new ATOM 0 HB VAL A 77 10.762 -13.696 5.621 1.00 0.57 H new ATOM 0 HG11 VAL A 77 11.592 -15.622 6.921 1.00 0.80 H new ATOM 0 HG12 VAL A 77 9.813 -15.583 6.860 1.00 0.80 H new ATOM 0 HG13 VAL A 77 10.714 -16.726 5.835 1.00 0.80 H new ATOM 0 HG21 VAL A 77 12.927 -14.718 5.056 1.00 0.77 H new ATOM 0 HG22 VAL A 77 12.113 -15.789 3.891 1.00 0.77 H new ATOM 0 HG23 VAL A 77 12.124 -14.030 3.624 1.00 0.77 H new ATOM 1222 N PRO A 78 8.307 -12.790 4.864 1.00 0.43 N ATOM 1223 CA PRO A 78 7.203 -12.029 5.461 1.00 0.41 C ATOM 1224 C PRO A 78 5.848 -12.417 4.877 1.00 0.35 C ATOM 1225 O PRO A 78 4.807 -12.131 5.464 1.00 0.34 O ATOM 1226 CB PRO A 78 7.534 -10.572 5.116 1.00 0.42 C ATOM 1227 CG PRO A 78 8.999 -10.566 4.857 1.00 0.48 C ATOM 1228 CD PRO A 78 9.313 -11.904 4.252 1.00 0.46 C ATOM 0 HA PRO A 78 7.119 -12.216 6.532 1.00 0.41 H new ATOM 0 HB2 PRO A 78 6.976 -10.236 4.242 1.00 0.42 H new ATOM 0 HB3 PRO A 78 7.275 -9.903 5.936 1.00 0.42 H new ATOM 0 HG2 PRO A 78 9.273 -9.757 4.180 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.559 -10.413 5.780 1.00 0.48 H new ATOM 0 HD2 PRO A 78 9.227 -11.886 3.166 1.00 0.46 H new ATOM 0 HD3 PRO A 78 10.328 -12.224 4.486 1.00 0.46 H new ATOM 1236 N SER A 79 5.865 -13.075 3.721 1.00 0.34 N ATOM 1237 CA SER A 79 4.632 -13.502 3.071 1.00 0.34 C ATOM 1238 C SER A 79 3.763 -14.294 4.034 1.00 0.38 C ATOM 1239 O SER A 79 2.547 -14.364 3.865 1.00 0.39 O ATOM 1240 CB SER A 79 4.943 -14.348 1.835 1.00 0.39 C ATOM 1241 OG SER A 79 4.081 -14.021 0.761 1.00 1.13 O ATOM 0 H SER A 79 6.717 -13.323 3.217 1.00 0.34 H new ATOM 0 HA SER A 79 4.087 -12.610 2.761 1.00 0.34 H new ATOM 0 HB2 SER A 79 5.979 -14.190 1.534 1.00 0.39 H new ATOM 0 HB3 SER A 79 4.839 -15.405 2.079 1.00 0.39 H new ATOM 0 HG SER A 79 4.302 -14.575 -0.017 1.00 1.13 H new ATOM 1247 N ASP A 80 4.385 -14.877 5.055 1.00 0.43 N ATOM 1248 CA ASP A 80 3.644 -15.645 6.045 1.00 0.50 C ATOM 1249 C ASP A 80 2.520 -14.805 6.620 1.00 0.42 C ATOM 1250 O ASP A 80 1.426 -15.310 6.875 1.00 0.47 O ATOM 1251 CB ASP A 80 4.571 -16.131 7.160 1.00 0.62 C ATOM 1252 CG ASP A 80 4.397 -17.609 7.452 1.00 1.27 C ATOM 1253 OD1 ASP A 80 4.945 -18.434 6.692 1.00 2.02 O ATOM 1254 OD2 ASP A 80 3.709 -17.942 8.441 1.00 1.69 O ATOM 0 H ASP A 80 5.391 -14.832 5.216 1.00 0.43 H new ATOM 0 HA ASP A 80 3.216 -16.519 5.555 1.00 0.50 H new ATOM 0 HB2 ASP A 80 5.606 -15.938 6.878 1.00 0.62 H new ATOM 0 HB3 ASP A 80 4.376 -15.559 8.067 1.00 0.62 H new ATOM 1259 N LYS A 81 2.772 -13.511 6.800 1.00 0.38 N ATOM 1260 CA LYS A 81 1.743 -12.630 7.313 1.00 0.33 C ATOM 1261 C LYS A 81 0.954 -12.036 6.157 1.00 0.26 C ATOM 1262 O LYS A 81 1.445 -11.186 5.414 1.00 0.27 O ATOM 1263 CB LYS A 81 2.350 -11.516 8.172 1.00 0.40 C ATOM 1264 CG LYS A 81 3.098 -10.459 7.380 1.00 0.91 C ATOM 1265 CD LYS A 81 4.388 -10.066 8.074 1.00 1.02 C ATOM 1266 CE LYS A 81 5.166 -9.024 7.285 1.00 0.87 C ATOM 1267 NZ LYS A 81 4.978 -9.174 5.815 1.00 1.23 N ATOM 0 H LYS A 81 3.665 -13.061 6.600 1.00 0.38 H new ATOM 0 HA LYS A 81 1.072 -13.212 7.945 1.00 0.33 H new ATOM 0 HB2 LYS A 81 1.553 -11.034 8.738 1.00 0.40 H new ATOM 0 HB3 LYS A 81 3.032 -11.961 8.897 1.00 0.40 H new ATOM 0 HG2 LYS A 81 3.319 -10.837 6.382 1.00 0.91 H new ATOM 0 HG3 LYS A 81 2.466 -9.579 7.255 1.00 0.91 H new ATOM 0 HD2 LYS A 81 4.161 -9.675 9.066 1.00 1.02 H new ATOM 0 HD3 LYS A 81 5.008 -10.951 8.215 1.00 1.02 H new ATOM 0 HE2 LYS A 81 4.847 -8.027 7.590 1.00 0.87 H new ATOM 0 HE3 LYS A 81 6.226 -9.107 7.524 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 5.716 -8.639 5.314 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 5.044 -10.179 5.557 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 4.043 -8.808 5.546 1.00 1.23 H new ATOM 1281 N GLY A 82 -0.275 -12.496 6.012 1.00 0.24 N ATOM 1282 CA GLY A 82 -1.127 -12.009 4.952 1.00 0.24 C ATOM 1283 C GLY A 82 -2.073 -10.941 5.456 1.00 0.28 C ATOM 1284 O GLY A 82 -3.281 -10.993 5.221 1.00 0.53 O ATOM 0 H GLY A 82 -0.700 -13.202 6.613 1.00 0.24 H new ATOM 0 HA2 GLY A 82 -0.514 -11.605 4.146 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.699 -12.837 4.533 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.496 -9.951 6.127 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.245 -8.822 6.657 1.00 0.28 C ATOM 1290 C ASN A 83 -1.607 -7.524 6.185 1.00 0.30 C ATOM 1291 O ASN A 83 -0.487 -7.208 6.581 1.00 0.36 O ATOM 1292 CB ASN A 83 -2.279 -8.869 8.188 1.00 0.40 C ATOM 1293 CG ASN A 83 -3.622 -8.445 8.749 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -4.481 -9.280 9.029 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -3.807 -7.141 8.919 1.00 0.96 N ATOM 0 H ASN A 83 -0.495 -9.910 6.318 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.271 -8.874 6.292 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -2.051 -9.881 8.523 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -1.500 -8.219 8.586 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -4.690 -6.796 9.296 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -3.066 -6.484 8.673 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.299 -6.774 5.337 1.00 0.33 N ATOM 1303 CA TYR A 84 -1.745 -5.522 4.838 1.00 0.40 C ATOM 1304 C TYR A 84 -2.768 -4.398 4.875 1.00 0.35 C ATOM 1305 O TYR A 84 -3.899 -4.550 4.413 1.00 0.44 O ATOM 1306 CB TYR A 84 -1.215 -5.697 3.414 1.00 0.57 C ATOM 1307 CG TYR A 84 -0.663 -4.421 2.820 1.00 1.17 C ATOM 1308 CD1 TYR A 84 0.654 -4.043 3.046 1.00 1.74 C ATOM 1309 CD2 TYR A 84 -1.457 -3.597 2.030 1.00 1.96 C ATOM 1310 CE1 TYR A 84 1.165 -2.879 2.502 1.00 2.46 C ATOM 1311 CE2 TYR A 84 -0.951 -2.432 1.483 1.00 2.76 C ATOM 1312 CZ TYR A 84 0.343 -2.067 1.730 1.00 2.86 C ATOM 1313 OH TYR A 84 0.866 -0.921 1.180 1.00 3.72 O ATOM 0 H TYR A 84 -3.228 -7.005 4.985 1.00 0.33 H new ATOM 0 HA TYR A 84 -0.920 -5.249 5.496 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -0.433 -6.457 3.416 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -2.019 -6.068 2.778 1.00 0.57 H new ATOM 0 HD1 TYR A 84 1.289 -4.668 3.656 1.00 1.74 H new ATOM 0 HD2 TYR A 84 -2.484 -3.871 1.841 1.00 1.96 H new ATOM 0 HE1 TYR A 84 2.195 -2.603 2.676 1.00 2.46 H new ATOM 0 HE2 TYR A 84 -1.578 -1.811 0.861 1.00 2.76 H new ATOM 0 HH TYR A 84 0.190 -0.492 0.614 1.00 3.72 H new ATOM 1323 N THR A 85 -2.352 -3.261 5.422 1.00 0.32 N ATOM 1324 CA THR A 85 -3.217 -2.097 5.517 1.00 0.33 C ATOM 1325 C THR A 85 -2.571 -0.892 4.844 1.00 0.29 C ATOM 1326 O THR A 85 -1.387 -0.597 5.062 1.00 0.31 O ATOM 1327 CB THR A 85 -3.542 -1.744 6.982 1.00 0.45 C ATOM 1328 OG1 THR A 85 -3.950 -0.376 7.079 1.00 1.14 O ATOM 1329 CG2 THR A 85 -2.336 -1.978 7.875 1.00 1.00 C ATOM 0 H THR A 85 -1.417 -3.123 5.807 1.00 0.32 H new ATOM 0 HA THR A 85 -4.147 -2.349 5.007 1.00 0.33 H new ATOM 0 HB THR A 85 -4.354 -2.391 7.314 1.00 0.45 H new ATOM 0 HG1 THR A 85 -4.544 -0.158 6.331 1.00 1.14 H new ATOM 0 HG21 THR A 85 -2.590 -1.722 8.904 1.00 1.00 H new ATOM 0 HG22 THR A 85 -2.043 -3.027 7.824 1.00 1.00 H new ATOM 0 HG23 THR A 85 -1.508 -1.353 7.539 1.00 1.00 H new ATOM 1337 N CYS A 86 -3.358 -0.203 4.024 1.00 0.30 N ATOM 1338 CA CYS A 86 -2.890 0.973 3.304 1.00 0.30 C ATOM 1339 C CYS A 86 -3.335 2.244 4.013 1.00 0.30 C ATOM 1340 O CYS A 86 -4.520 2.579 4.026 1.00 0.31 O ATOM 1341 CB CYS A 86 -3.427 0.957 1.868 1.00 0.36 C ATOM 1342 SG CYS A 86 -2.698 2.217 0.770 1.00 0.65 S ATOM 0 H CYS A 86 -4.332 -0.443 3.841 1.00 0.30 H new ATOM 0 HA CYS A 86 -1.801 0.954 3.277 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -3.247 -0.028 1.438 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -4.507 1.100 1.897 1.00 0.36 H new ATOM 1347 N VAL A 87 -2.378 2.956 4.596 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.670 4.196 5.297 1.00 0.30 C ATOM 1349 C VAL A 87 -2.133 5.389 4.521 1.00 0.31 C ATOM 1350 O VAL A 87 -0.930 5.646 4.523 1.00 0.30 O ATOM 1351 CB VAL A 87 -2.058 4.205 6.711 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -2.443 5.476 7.452 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -2.492 2.973 7.490 1.00 0.97 C ATOM 0 H VAL A 87 -1.392 2.694 4.596 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.754 4.267 5.382 1.00 0.30 H new ATOM 0 HB VAL A 87 -0.972 4.182 6.616 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -2.002 5.464 8.449 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -2.076 6.343 6.903 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -3.528 5.533 7.537 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -2.050 2.998 8.486 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -3.579 2.961 7.576 1.00 0.97 H new ATOM 0 HG23 VAL A 87 -2.159 2.076 6.967 1.00 0.97 H new ATOM 1363 N VAL A 88 -3.021 6.117 3.855 1.00 0.32 N ATOM 1364 CA VAL A 88 -2.605 7.276 3.083 1.00 0.33 C ATOM 1365 C VAL A 88 -2.850 8.565 3.854 1.00 0.30 C ATOM 1366 O VAL A 88 -3.993 8.945 4.106 1.00 0.30 O ATOM 1367 CB VAL A 88 -3.348 7.352 1.735 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -2.821 8.506 0.896 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -3.223 6.035 0.984 1.00 1.50 C ATOM 0 H VAL A 88 -4.023 5.927 3.835 1.00 0.32 H new ATOM 0 HA VAL A 88 -1.537 7.162 2.896 1.00 0.33 H new ATOM 0 HB VAL A 88 -4.404 7.533 1.933 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -3.359 8.542 -0.052 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -2.968 9.443 1.433 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -1.758 8.361 0.705 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -3.753 6.106 0.034 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -2.171 5.821 0.797 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -3.655 5.233 1.582 1.00 1.50 H new ATOM 1379 N GLU A 89 -1.764 9.228 4.233 1.00 0.32 N ATOM 1380 CA GLU A 89 -1.853 10.471 4.983 1.00 0.32 C ATOM 1381 C GLU A 89 -1.517 11.665 4.102 1.00 0.31 C ATOM 1382 O GLU A 89 -0.776 11.545 3.124 1.00 0.32 O ATOM 1383 CB GLU A 89 -0.914 10.432 6.191 1.00 0.37 C ATOM 1384 CG GLU A 89 -1.202 11.508 7.223 1.00 0.43 C ATOM 1385 CD GLU A 89 -0.239 12.675 7.133 1.00 0.83 C ATOM 1386 OE1 GLU A 89 0.644 12.649 6.250 1.00 1.33 O ATOM 1387 OE2 GLU A 89 -0.368 13.616 7.945 1.00 1.46 O ATOM 0 H GLU A 89 -0.811 8.924 4.032 1.00 0.32 H new ATOM 0 HA GLU A 89 -2.879 10.580 5.333 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -0.990 9.455 6.667 1.00 0.37 H new ATOM 0 HB3 GLU A 89 0.114 10.539 5.845 1.00 0.37 H new ATOM 0 HG2 GLU A 89 -2.221 11.871 7.089 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -1.148 11.073 8.221 1.00 0.43 H new ATOM 1394 N ASN A 90 -2.051 12.822 4.470 1.00 0.33 N ATOM 1395 CA ASN A 90 -1.800 14.055 3.743 1.00 0.36 C ATOM 1396 C ASN A 90 -1.690 15.213 4.730 1.00 0.43 C ATOM 1397 O ASN A 90 -1.818 15.018 5.938 1.00 0.39 O ATOM 1398 CB ASN A 90 -2.919 14.323 2.734 1.00 0.37 C ATOM 1399 CG ASN A 90 -4.284 14.390 3.389 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -4.774 15.469 3.722 1.00 1.54 O ATOM 1401 ND2 ASN A 90 -4.906 13.232 3.578 1.00 0.86 N ATOM 0 H ASN A 90 -2.666 12.930 5.276 1.00 0.33 H new ATOM 0 HA ASN A 90 -0.864 13.958 3.194 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -2.721 15.262 2.217 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -2.920 13.537 1.979 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -5.828 13.213 4.015 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -4.462 12.361 3.286 1.00 0.86 H new ATOM 1408 N GLU A 91 -1.476 16.416 4.219 1.00 0.57 N ATOM 1409 CA GLU A 91 -1.378 17.591 5.077 1.00 0.66 C ATOM 1410 C GLU A 91 -2.750 17.961 5.648 1.00 0.68 C ATOM 1411 O GLU A 91 -2.846 18.789 6.553 1.00 0.75 O ATOM 1412 CB GLU A 91 -0.806 18.778 4.298 1.00 0.76 C ATOM 1413 CG GLU A 91 -0.774 20.071 5.097 1.00 1.15 C ATOM 1414 CD GLU A 91 -0.051 21.189 4.369 1.00 1.72 C ATOM 1415 OE1 GLU A 91 1.196 21.149 4.309 1.00 2.24 O ATOM 1416 OE2 GLU A 91 -0.732 22.102 3.858 1.00 2.34 O ATOM 0 H GLU A 91 -1.367 16.606 3.223 1.00 0.57 H new ATOM 0 HA GLU A 91 -0.707 17.350 5.902 1.00 0.66 H new ATOM 0 HB2 GLU A 91 0.206 18.536 3.974 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -1.401 18.932 3.398 1.00 0.76 H new ATOM 0 HG2 GLU A 91 -1.795 20.385 5.314 1.00 1.15 H new ATOM 0 HG3 GLU A 91 -0.285 19.890 6.054 1.00 1.15 H new ATOM 1423 N TYR A 92 -3.810 17.358 5.103 1.00 0.64 N ATOM 1424 CA TYR A 92 -5.166 17.649 5.552 1.00 0.68 C ATOM 1425 C TYR A 92 -5.763 16.509 6.384 1.00 0.60 C ATOM 1426 O TYR A 92 -6.904 16.606 6.834 1.00 0.63 O ATOM 1427 CB TYR A 92 -6.066 17.928 4.345 1.00 0.75 C ATOM 1428 CG TYR A 92 -6.975 19.121 4.529 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -7.433 19.481 5.791 1.00 1.54 C ATOM 1430 CD2 TYR A 92 -7.376 19.887 3.442 1.00 1.64 C ATOM 1431 CE1 TYR A 92 -8.263 20.572 5.962 1.00 2.05 C ATOM 1432 CE2 TYR A 92 -8.207 20.979 3.605 1.00 2.10 C ATOM 1433 CZ TYR A 92 -8.651 21.314 4.870 1.00 2.19 C ATOM 1434 OH TYR A 92 -9.475 22.404 5.035 1.00 2.77 O ATOM 0 H TYR A 92 -3.752 16.669 4.353 1.00 0.64 H new ATOM 0 HA TYR A 92 -5.111 18.530 6.192 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -5.441 18.090 3.467 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -6.674 17.046 4.145 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -7.136 18.899 6.651 1.00 1.54 H new ATOM 0 HD2 TYR A 92 -7.032 19.625 2.452 1.00 1.64 H new ATOM 0 HE1 TYR A 92 -8.606 20.842 6.950 1.00 2.05 H new ATOM 0 HE2 TYR A 92 -8.507 21.566 2.750 1.00 2.10 H new ATOM 0 HH TYR A 92 -9.651 22.816 4.163 1.00 2.77 H new ATOM 1444 N GLY A 93 -5.004 15.434 6.596 1.00 0.52 N ATOM 1445 CA GLY A 93 -5.525 14.327 7.383 1.00 0.47 C ATOM 1446 C GLY A 93 -4.871 12.993 7.073 1.00 0.40 C ATOM 1447 O GLY A 93 -4.090 12.877 6.128 1.00 0.40 O ATOM 0 H GLY A 93 -4.055 15.310 6.244 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -5.389 14.550 8.441 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -6.598 14.244 7.210 1.00 0.47 H new ATOM 1451 N SER A 94 -5.203 11.983 7.878 1.00 0.38 N ATOM 1452 CA SER A 94 -4.659 10.640 7.701 1.00 0.34 C ATOM 1453 C SER A 94 -5.778 9.603 7.667 1.00 0.34 C ATOM 1454 O SER A 94 -6.710 9.658 8.469 1.00 0.38 O ATOM 1455 CB SER A 94 -3.677 10.312 8.828 1.00 0.35 C ATOM 1456 OG SER A 94 -4.338 9.692 9.918 1.00 1.04 O ATOM 0 H SER A 94 -5.849 12.073 8.662 1.00 0.38 H new ATOM 0 HA SER A 94 -4.130 10.610 6.749 1.00 0.34 H new ATOM 0 HB2 SER A 94 -2.894 9.654 8.452 1.00 0.35 H new ATOM 0 HB3 SER A 94 -3.189 11.226 9.167 1.00 0.35 H new ATOM 0 HG SER A 94 -3.688 9.491 10.624 1.00 1.04 H new ATOM 1462 N ILE A 95 -5.686 8.665 6.729 1.00 0.32 N ATOM 1463 CA ILE A 95 -6.700 7.623 6.587 1.00 0.34 C ATOM 1464 C ILE A 95 -6.080 6.231 6.694 1.00 0.31 C ATOM 1465 O ILE A 95 -4.894 6.049 6.423 1.00 0.29 O ATOM 1466 CB ILE A 95 -7.463 7.732 5.245 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -7.470 9.178 4.732 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -8.885 7.218 5.413 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -8.364 9.392 3.530 1.00 0.47 C ATOM 0 H ILE A 95 -4.921 8.604 6.057 1.00 0.32 H new ATOM 0 HA ILE A 95 -7.407 7.772 7.403 1.00 0.34 H new ATOM 0 HB ILE A 95 -6.950 7.118 4.505 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.794 9.838 5.537 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -6.452 9.467 4.473 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -9.415 7.298 4.464 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -8.860 6.175 5.728 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -9.400 7.812 6.168 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -8.318 10.437 3.224 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -8.028 8.758 2.709 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -9.391 9.135 3.790 1.00 0.47 H new ATOM 1481 N ASN A 96 -6.890 5.253 7.095 1.00 0.34 N ATOM 1482 CA ASN A 96 -6.415 3.875 7.242 1.00 0.34 C ATOM 1483 C ASN A 96 -7.290 2.895 6.464 1.00 0.34 C ATOM 1484 O ASN A 96 -8.516 3.007 6.458 1.00 0.38 O ATOM 1485 CB ASN A 96 -6.373 3.471 8.723 1.00 0.38 C ATOM 1486 CG ASN A 96 -7.426 4.174 9.562 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -7.134 4.693 10.639 1.00 2.04 O ATOM 1488 ND2 ASN A 96 -8.659 4.196 9.070 1.00 1.12 N ATOM 0 H ASN A 96 -7.875 5.386 7.324 1.00 0.34 H new ATOM 0 HA ASN A 96 -5.406 3.834 6.831 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -6.513 2.393 8.804 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -5.386 3.695 9.127 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -9.407 4.656 9.589 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -8.858 3.753 8.173 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.646 1.923 5.817 1.00 0.32 N ATOM 1496 CA HIS A 97 -7.354 0.904 5.043 1.00 0.34 C ATOM 1497 C HIS A 97 -6.779 -0.483 5.323 1.00 0.33 C ATOM 1498 O HIS A 97 -5.565 -0.675 5.299 1.00 0.33 O ATOM 1499 CB HIS A 97 -7.273 1.216 3.547 1.00 0.36 C ATOM 1500 CG HIS A 97 -7.345 2.679 3.239 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -8.305 3.514 3.770 1.00 1.25 N ATOM 1502 CD2 HIS A 97 -6.566 3.459 2.449 1.00 1.06 C ATOM 1503 CE1 HIS A 97 -8.116 4.743 3.321 1.00 1.06 C ATOM 1504 NE2 HIS A 97 -7.067 4.735 2.519 1.00 0.85 N ATOM 0 H HIS A 97 -5.631 1.820 5.814 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.401 0.913 5.347 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -6.341 0.814 3.150 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -8.086 0.704 3.032 1.00 0.36 H new ATOM 0 HD1 HIS A 97 -9.046 3.228 4.410 1.00 1.25 H new ATOM 0 HD2 HIS A 97 -5.711 3.137 1.873 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -8.717 5.606 3.568 1.00 1.06 H new ATOM 1513 N THR A 98 -7.655 -1.445 5.595 1.00 0.35 N ATOM 1514 CA THR A 98 -7.225 -2.810 5.890 1.00 0.35 C ATOM 1515 C THR A 98 -7.534 -3.767 4.738 1.00 0.35 C ATOM 1516 O THR A 98 -8.669 -3.840 4.268 1.00 0.36 O ATOM 1517 CB THR A 98 -7.894 -3.338 7.172 1.00 0.38 C ATOM 1518 OG1 THR A 98 -9.218 -3.800 6.881 1.00 1.33 O ATOM 1519 CG2 THR A 98 -7.950 -2.255 8.238 1.00 1.36 C ATOM 0 H THR A 98 -8.665 -1.306 5.618 1.00 0.35 H new ATOM 0 HA THR A 98 -6.145 -2.770 6.032 1.00 0.35 H new ATOM 0 HB THR A 98 -7.297 -4.168 7.551 1.00 0.38 H new ATOM 0 HG1 THR A 98 -9.436 -3.600 5.947 1.00 1.33 H new ATOM 0 HG21 THR A 98 -8.427 -2.651 9.135 1.00 1.36 H new ATOM 0 HG22 THR A 98 -6.938 -1.929 8.479 1.00 1.36 H new ATOM 0 HG23 THR A 98 -8.525 -1.407 7.866 1.00 1.36 H new ATOM 1527 N TYR A 99 -6.513 -4.503 4.300 1.00 0.39 N ATOM 1528 CA TYR A 99 -6.660 -5.466 3.209 1.00 0.42 C ATOM 1529 C TYR A 99 -6.410 -6.896 3.709 1.00 0.42 C ATOM 1530 O TYR A 99 -5.439 -7.145 4.426 1.00 0.45 O ATOM 1531 CB TYR A 99 -5.684 -5.124 2.076 1.00 0.53 C ATOM 1532 CG TYR A 99 -5.825 -3.716 1.525 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -6.972 -2.973 1.771 1.00 0.73 C ATOM 1534 CD2 TYR A 99 -4.819 -3.129 0.764 1.00 0.85 C ATOM 1535 CE1 TYR A 99 -7.116 -1.691 1.275 1.00 0.81 C ATOM 1536 CE2 TYR A 99 -4.956 -1.847 0.266 1.00 0.96 C ATOM 1537 CZ TYR A 99 -6.062 -1.135 0.508 1.00 0.81 C ATOM 1538 OH TYR A 99 -6.245 0.142 0.029 1.00 0.96 O ATOM 0 H TYR A 99 -5.570 -4.450 4.686 1.00 0.39 H new ATOM 0 HA TYR A 99 -7.681 -5.409 2.831 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -4.665 -5.258 2.439 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -5.829 -5.835 1.262 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -7.767 -3.405 2.361 1.00 0.73 H new ATOM 0 HD2 TYR A 99 -3.916 -3.684 0.559 1.00 0.85 H new ATOM 0 HE1 TYR A 99 -8.015 -1.124 1.468 1.00 0.81 H new ATOM 0 HE2 TYR A 99 -4.162 -1.416 -0.325 1.00 0.96 H new ATOM 0 HH TYR A 99 -5.380 0.599 -0.023 1.00 0.96 H new ATOM 1548 N HIS A 100 -7.304 -7.831 3.355 1.00 0.41 N ATOM 1549 CA HIS A 100 -7.170 -9.218 3.810 1.00 0.44 C ATOM 1550 C HIS A 100 -6.451 -10.122 2.801 1.00 0.42 C ATOM 1551 O HIS A 100 -7.041 -10.613 1.844 1.00 0.45 O ATOM 1552 CB HIS A 100 -8.551 -9.800 4.117 1.00 0.53 C ATOM 1553 CG HIS A 100 -9.161 -9.260 5.373 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -9.131 -7.922 5.710 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -9.822 -9.883 6.377 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -9.746 -7.748 6.866 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -10.175 -8.922 7.291 1.00 1.70 N ATOM 0 H HIS A 100 -8.116 -7.654 2.763 1.00 0.41 H new ATOM 0 HA HIS A 100 -6.555 -9.190 4.709 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -9.218 -9.593 3.280 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -8.470 -10.884 4.199 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -10.032 -10.940 6.446 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -9.876 -6.805 7.377 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -10.686 -9.088 8.158 1.00 1.70 H new ATOM 1566 N LEU A 101 -5.179 -10.390 3.050 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.406 -11.265 2.172 1.00 0.45 C ATOM 1568 C LEU A 101 -4.453 -12.701 2.680 1.00 0.48 C ATOM 1569 O LEU A 101 -4.557 -12.934 3.885 1.00 0.53 O ATOM 1570 CB LEU A 101 -2.953 -10.790 2.059 1.00 0.51 C ATOM 1571 CG LEU A 101 -2.691 -9.343 2.493 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -1.211 -9.013 2.384 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -3.515 -8.377 1.655 1.00 1.63 C ATOM 0 H LEU A 101 -4.660 -10.019 3.846 1.00 0.44 H new ATOM 0 HA LEU A 101 -4.854 -11.226 1.179 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -2.327 -11.449 2.660 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -2.633 -10.903 1.023 1.00 0.51 H new ATOM 0 HG LEU A 101 -2.991 -9.237 3.535 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -1.044 -7.982 2.696 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -0.640 -9.684 3.027 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -0.886 -9.136 1.351 1.00 1.90 H new ATOM 0 HD21 LEU A 101 -3.316 -7.355 1.977 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -3.245 -8.485 0.604 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -4.575 -8.598 1.782 1.00 1.63 H new ATOM 1585 N ASP A 102 -4.371 -13.667 1.766 1.00 0.50 N ATOM 1586 CA ASP A 102 -4.397 -15.075 2.146 1.00 0.57 C ATOM 1587 C ASP A 102 -3.049 -15.729 1.860 1.00 0.54 C ATOM 1588 O ASP A 102 -2.567 -15.708 0.727 1.00 0.53 O ATOM 1589 CB ASP A 102 -5.505 -15.809 1.391 1.00 0.65 C ATOM 1590 CG ASP A 102 -6.852 -15.125 1.531 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -7.138 -14.211 0.731 1.00 2.34 O ATOM 1592 OD2 ASP A 102 -7.617 -15.505 2.442 1.00 1.38 O ATOM 0 H ASP A 102 -4.287 -13.500 0.763 1.00 0.50 H new ATOM 0 HA ASP A 102 -4.598 -15.139 3.215 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -5.241 -15.873 0.335 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -5.579 -16.831 1.763 1.00 0.65 H new ATOM 1597 N VAL A 103 -2.442 -16.305 2.892 1.00 0.63 N ATOM 1598 CA VAL A 103 -1.146 -16.956 2.751 1.00 0.68 C ATOM 1599 C VAL A 103 -1.291 -18.379 2.220 1.00 0.66 C ATOM 1600 O VAL A 103 -1.962 -19.212 2.830 1.00 0.75 O ATOM 1601 CB VAL A 103 -0.402 -17.002 4.096 1.00 0.89 C ATOM 1602 CG1 VAL A 103 -0.159 -15.597 4.620 1.00 1.56 C ATOM 1603 CG2 VAL A 103 -1.180 -17.828 5.107 1.00 1.60 C ATOM 0 H VAL A 103 -2.828 -16.334 3.836 1.00 0.63 H new ATOM 0 HA VAL A 103 -0.572 -16.365 2.037 1.00 0.68 H new ATOM 0 HB VAL A 103 0.566 -17.478 3.939 1.00 0.89 H new ATOM 0 HG11 VAL A 103 0.368 -15.650 5.572 1.00 1.56 H new ATOM 0 HG12 VAL A 103 0.443 -15.040 3.902 1.00 1.56 H new ATOM 0 HG13 VAL A 103 -1.114 -15.091 4.762 1.00 1.56 H new ATOM 0 HG21 VAL A 103 -0.639 -17.850 6.053 1.00 1.60 H new ATOM 0 HG22 VAL A 103 -2.163 -17.383 5.261 1.00 1.60 H new ATOM 0 HG23 VAL A 103 -1.297 -18.845 4.733 1.00 1.60 H new ATOM 1613 N VAL A 104 -0.651 -18.654 1.088 1.00 0.66 N ATOM 1614 CA VAL A 104 -0.707 -19.981 0.485 1.00 0.73 C ATOM 1615 C VAL A 104 0.685 -20.596 0.385 1.00 0.83 C ATOM 1616 O VAL A 104 1.583 -20.029 -0.242 1.00 0.84 O ATOM 1617 CB VAL A 104 -1.341 -19.940 -0.917 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -2.846 -19.745 -0.817 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -0.709 -18.845 -1.760 1.00 1.27 C ATOM 0 H VAL A 104 -0.089 -17.978 0.571 1.00 0.66 H new ATOM 0 HA VAL A 104 -1.329 -20.596 1.135 1.00 0.73 H new ATOM 0 HB VAL A 104 -1.153 -20.895 -1.407 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -3.277 -19.718 -1.818 1.00 1.44 H new ATOM 0 HG12 VAL A 104 -3.283 -20.571 -0.255 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -3.058 -18.806 -0.306 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -1.171 -18.833 -2.747 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -0.861 -17.880 -1.276 1.00 1.27 H new ATOM 0 HG23 VAL A 104 0.359 -19.035 -1.862 1.00 1.27 H new TER 1629 VAL A 104