USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 777 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 82 SER OG : rot -85:sc= -0.761 USER MOD Set 1.2: A 84 ASN : amide:sc= -10! C(o=-11!,f=-25!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 24:sc= -6.95! USER MOD Single : A 12 ASN : amide:sc= -1.08! C(o=-1.1!,f=-3.8!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -153:sc= -0.202 (180deg=-0.91) USER MOD Single : A 20 ASN :FLIP amide:sc= -4.07! C(o=-4.9!,f=-4.1!) USER MOD Single : A 23 GLN : amide:sc= 0.29 K(o=0.29,f=-0.28) USER MOD Single : A 25 LYS NZ :NH3+ -128:sc= -0.732 (180deg=-5.81!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.925! USER MOD Single : A 27 ASN : amide:sc= -0.0456 X(o=-0.046,f=-0.26) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= -0.0335 (180deg=-0.417) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -172:sc= -8.94! USER MOD Single : A 37 SER OG : rot 0:sc= 0.835 USER MOD Single : A 39 THR OG1 : rot 14:sc= 0.475 USER MOD Single : A 41 GLN : amide:sc= -3.28! C(o=-3.3!,f=-3.6!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -150:sc= -0.877 USER MOD Single : A 61 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0276) USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.48 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.571 F(o=-3.2!,f=-0.57) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.267 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.862 USER MOD Single : A 79 HIS : no HE2:sc= -1.81 K(o=-1.8,f=-4!) USER MOD Single : A 83 SER OG : rot 139:sc= 0.986 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N TRP A 2 8.333 -11.654 -6.203 1.00 0.00 N ATOM 14 CA TRP A 2 7.107 -10.831 -6.330 1.00 0.00 C ATOM 15 C TRP A 2 5.931 -11.490 -5.616 1.00 0.00 C ATOM 16 O TRP A 2 5.163 -12.214 -6.212 1.00 0.00 O ATOM 17 CB TRP A 2 6.779 -10.702 -7.843 1.00 0.00 C ATOM 18 CG TRP A 2 7.468 -9.452 -8.437 1.00 0.00 C ATOM 19 CD1 TRP A 2 8.329 -8.673 -7.775 1.00 0.00 C ATOM 20 CD2 TRP A 2 7.259 -8.991 -9.660 1.00 0.00 C ATOM 21 NE1 TRP A 2 8.622 -7.704 -8.660 1.00 0.00 N ATOM 22 CE2 TRP A 2 7.989 -7.834 -9.878 1.00 0.00 C ATOM 23 CE3 TRP A 2 6.486 -9.507 -10.698 1.00 0.00 C ATOM 24 CZ2 TRP A 2 7.945 -7.201 -11.099 1.00 0.00 C ATOM 25 CZ3 TRP A 2 6.457 -8.870 -11.922 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.187 -7.719 -12.118 1.00 0.00 C ATOM 0 HA TRP A 2 7.274 -9.854 -5.876 1.00 0.00 H new ATOM 0 HB2 TRP A 2 7.112 -11.595 -8.372 1.00 0.00 H new ATOM 0 HB3 TRP A 2 5.700 -10.632 -7.984 1.00 0.00 H new ATOM 0 HD1 TRP A 2 8.701 -8.793 -6.768 1.00 0.00 H new ATOM 0 HE1 TRP A 2 9.260 -6.937 -8.448 1.00 0.00 H new ATOM 0 HE3 TRP A 2 5.909 -10.407 -10.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 8.509 -6.293 -11.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 5.861 -9.275 -12.727 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.163 -7.223 -13.077 1.00 0.00 H new ATOM 37 N VAL A 3 5.811 -11.199 -4.335 1.00 0.00 N ATOM 38 CA VAL A 3 4.697 -11.783 -3.536 1.00 0.00 C ATOM 39 C VAL A 3 4.399 -10.906 -2.315 1.00 0.00 C ATOM 40 O VAL A 3 4.929 -11.129 -1.245 1.00 0.00 O ATOM 41 CB VAL A 3 5.116 -13.181 -3.016 1.00 0.00 C ATOM 42 CG1 VAL A 3 3.897 -13.861 -2.390 1.00 0.00 C ATOM 43 CG2 VAL A 3 5.631 -14.047 -4.166 1.00 0.00 C ATOM 0 H VAL A 3 6.439 -10.583 -3.818 1.00 0.00 H new ATOM 0 HA VAL A 3 3.816 -11.849 -4.174 1.00 0.00 H new ATOM 0 HB VAL A 3 5.910 -13.063 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.180 -14.847 -2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.527 -13.255 -1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.114 -13.966 -3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.921 -15.025 -3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.845 -14.167 -4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.495 -13.566 -4.625 1.00 0.00 H new ATOM 53 N ILE A 4 3.556 -9.928 -2.499 1.00 0.00 N ATOM 54 CA ILE A 4 3.212 -9.030 -1.368 1.00 0.00 C ATOM 55 C ILE A 4 1.902 -8.282 -1.665 1.00 0.00 C ATOM 56 O ILE A 4 1.912 -7.197 -2.202 1.00 0.00 O ATOM 57 CB ILE A 4 4.352 -8.018 -1.210 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.035 -7.041 -0.087 1.00 0.00 C ATOM 59 CG2 ILE A 4 4.507 -7.225 -2.518 1.00 0.00 C ATOM 60 CD1 ILE A 4 5.015 -5.868 -0.152 1.00 0.00 C ATOM 0 H ILE A 4 3.093 -9.714 -3.382 1.00 0.00 H new ATOM 0 HA ILE A 4 3.080 -9.611 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 4 5.271 -8.555 -0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.011 -6.681 -0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.110 -7.541 0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.317 -6.503 -2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.736 -7.910 -3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.578 -6.699 -2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.793 -5.164 0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.034 -6.238 -0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.917 -5.365 -1.114 1.00 0.00 H new ATOM 72 N PRO A 5 0.787 -8.891 -1.302 1.00 0.00 N ATOM 73 CA PRO A 5 -0.529 -8.286 -1.532 1.00 0.00 C ATOM 74 C PRO A 5 -0.748 -6.939 -0.801 1.00 0.00 C ATOM 75 O PRO A 5 -1.277 -6.006 -1.374 1.00 0.00 O ATOM 76 CB PRO A 5 -1.543 -9.334 -1.015 1.00 0.00 C ATOM 77 CG PRO A 5 -0.730 -10.595 -0.580 1.00 0.00 C ATOM 78 CD PRO A 5 0.762 -10.240 -0.699 1.00 0.00 C ATOM 0 HA PRO A 5 -0.639 -8.045 -2.589 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.112 -8.936 -0.175 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.261 -9.590 -1.794 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.977 -10.878 0.443 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.974 -11.447 -1.214 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.248 -10.245 0.277 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.291 -10.961 -1.322 1.00 0.00 H new ATOM 86 N PRO A 6 -0.339 -6.862 0.451 1.00 0.00 N ATOM 87 CA PRO A 6 -0.501 -5.634 1.236 1.00 0.00 C ATOM 88 C PRO A 6 0.436 -4.520 0.775 1.00 0.00 C ATOM 89 O PRO A 6 1.589 -4.758 0.469 1.00 0.00 O ATOM 90 CB PRO A 6 -0.136 -6.042 2.676 1.00 0.00 C ATOM 91 CG PRO A 6 0.388 -7.509 2.622 1.00 0.00 C ATOM 92 CD PRO A 6 0.296 -7.971 1.154 1.00 0.00 C ATOM 0 HA PRO A 6 -1.513 -5.242 1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.625 -5.377 3.083 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.006 -5.968 3.329 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.416 -7.564 2.979 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.208 -8.155 3.267 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.283 -8.185 0.744 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.292 -8.885 1.063 1.00 0.00 H new ATOM 100 N ILE A 7 -0.084 -3.316 0.746 1.00 0.00 N ATOM 101 CA ILE A 7 0.742 -2.161 0.313 1.00 0.00 C ATOM 102 C ILE A 7 0.407 -0.921 1.146 1.00 0.00 C ATOM 103 O ILE A 7 -0.596 -0.889 1.832 1.00 0.00 O ATOM 104 CB ILE A 7 0.421 -1.865 -1.158 1.00 0.00 C ATOM 105 CG1 ILE A 7 1.009 -2.949 -2.061 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.047 -0.513 -1.537 1.00 0.00 C ATOM 107 CD1 ILE A 7 2.499 -2.676 -2.293 1.00 0.00 C ATOM 0 H ILE A 7 -1.045 -3.090 1.005 1.00 0.00 H new ATOM 0 HA ILE A 7 1.797 -2.402 0.445 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.661 -1.840 -1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.876 -3.929 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.480 -2.968 -3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.827 -0.290 -2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.632 0.271 -0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.127 -0.560 -1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.915 -3.451 -2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.621 -1.704 -2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.023 -2.679 -1.337 1.00 0.00 H new ATOM 119 N SER A 8 1.261 0.078 1.073 1.00 0.00 N ATOM 120 CA SER A 8 1.009 1.327 1.854 1.00 0.00 C ATOM 121 C SER A 8 1.285 2.564 1.006 1.00 0.00 C ATOM 122 O SER A 8 2.145 2.549 0.146 1.00 0.00 O ATOM 123 CB SER A 8 1.950 1.343 3.070 1.00 0.00 C ATOM 124 OG SER A 8 3.232 1.597 2.515 1.00 0.00 O ATOM 0 H SER A 8 2.112 0.079 0.511 1.00 0.00 H new ATOM 0 HA SER A 8 -0.035 1.342 2.167 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.665 2.116 3.784 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.928 0.393 3.603 1.00 0.00 H new ATOM 0 HG SER A 8 3.899 1.625 3.232 1.00 0.00 H new ATOM 130 N CYS A 9 0.544 3.616 1.269 1.00 0.00 N ATOM 131 CA CYS A 9 0.741 4.873 0.493 1.00 0.00 C ATOM 132 C CYS A 9 0.634 6.116 1.414 1.00 0.00 C ATOM 133 O CYS A 9 -0.358 6.296 2.090 1.00 0.00 O ATOM 134 CB CYS A 9 -0.376 4.954 -0.551 1.00 0.00 C ATOM 135 SG CYS A 9 -0.049 4.232 -2.177 1.00 0.00 S ATOM 0 H CYS A 9 -0.183 3.654 1.984 1.00 0.00 H new ATOM 0 HA CYS A 9 1.729 4.861 0.033 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.259 4.467 -0.138 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.628 6.005 -0.694 1.00 0.00 H new ATOM 0 HG CYS A 9 0.872 3.321 -2.070 1.00 0.00 H new ATOM 141 N PRO A 10 1.672 6.955 1.426 1.00 0.00 N ATOM 142 CA PRO A 10 1.670 8.160 2.263 1.00 0.00 C ATOM 143 C PRO A 10 0.615 9.184 1.816 1.00 0.00 C ATOM 144 O PRO A 10 0.069 9.104 0.720 1.00 0.00 O ATOM 145 CB PRO A 10 3.076 8.772 2.079 1.00 0.00 C ATOM 146 CG PRO A 10 3.823 7.915 1.014 1.00 0.00 C ATOM 147 CD PRO A 10 2.906 6.739 0.651 1.00 0.00 C ATOM 0 HA PRO A 10 1.433 7.906 3.296 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.003 9.810 1.754 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.621 8.771 3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.050 8.512 0.131 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.773 7.554 1.408 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.700 6.717 -0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.369 5.786 0.906 1.00 0.00 H new ATOM 155 N GLU A 11 0.354 10.132 2.687 1.00 0.00 N ATOM 156 CA GLU A 11 -0.648 11.183 2.372 1.00 0.00 C ATOM 157 C GLU A 11 0.044 12.530 2.200 1.00 0.00 C ATOM 158 O GLU A 11 1.070 12.781 2.798 1.00 0.00 O ATOM 159 CB GLU A 11 -1.633 11.284 3.551 1.00 0.00 C ATOM 160 CG GLU A 11 -0.859 11.638 4.825 1.00 0.00 C ATOM 161 CD GLU A 11 -1.807 11.588 6.025 1.00 0.00 C ATOM 162 OE1 GLU A 11 -2.480 10.578 6.142 1.00 0.00 O ATOM 163 OE2 GLU A 11 -1.804 12.564 6.758 1.00 0.00 O ATOM 0 H GLU A 11 0.796 10.217 3.602 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.169 10.925 1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.387 12.044 3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.160 10.339 3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.035 10.939 4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.422 12.632 4.734 1.00 0.00 H new ATOM 170 N ASN A 12 -0.525 13.371 1.379 1.00 0.00 N ATOM 171 CA ASN A 12 0.089 14.707 1.155 1.00 0.00 C ATOM 172 C ASN A 12 1.513 14.578 0.619 1.00 0.00 C ATOM 173 O ASN A 12 2.360 15.403 0.897 1.00 0.00 O ATOM 174 CB ASN A 12 0.137 15.452 2.500 1.00 0.00 C ATOM 175 CG ASN A 12 -1.153 15.187 3.279 1.00 0.00 C ATOM 176 OD1 ASN A 12 -2.144 14.742 2.728 1.00 0.00 O ATOM 177 ND2 ASN A 12 -1.185 15.445 4.558 1.00 0.00 N ATOM 0 H ASN A 12 -1.383 13.191 0.858 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.510 15.249 0.423 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.999 15.121 3.080 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.258 16.522 2.331 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.037 15.274 5.092 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.358 15.818 5.024 1.00 0.00 H new ATOM 184 N GLU A 13 1.750 13.543 -0.138 1.00 0.00 N ATOM 185 CA GLU A 13 3.111 13.346 -0.699 1.00 0.00 C ATOM 186 C GLU A 13 3.562 14.578 -1.476 1.00 0.00 C ATOM 187 O GLU A 13 2.819 15.121 -2.269 1.00 0.00 O ATOM 188 CB GLU A 13 3.064 12.144 -1.654 1.00 0.00 C ATOM 189 CG GLU A 13 2.758 10.880 -0.849 1.00 0.00 C ATOM 190 CD GLU A 13 2.529 9.709 -1.808 1.00 0.00 C ATOM 191 OE1 GLU A 13 2.877 9.880 -2.964 1.00 0.00 O ATOM 192 OE2 GLU A 13 2.018 8.710 -1.329 1.00 0.00 O ATOM 0 H GLU A 13 1.064 12.831 -0.390 1.00 0.00 H new ATOM 0 HA GLU A 13 3.815 13.175 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.301 12.299 -2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.017 12.038 -2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.585 10.656 -0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.875 11.035 -0.230 1.00 0.00 H new ATOM 199 N LYS A 14 4.781 14.995 -1.235 1.00 0.00 N ATOM 200 CA LYS A 14 5.305 16.191 -1.949 1.00 0.00 C ATOM 201 C LYS A 14 6.153 15.781 -3.149 1.00 0.00 C ATOM 202 O LYS A 14 6.719 14.705 -3.172 1.00 0.00 O ATOM 203 CB LYS A 14 6.182 16.991 -0.972 1.00 0.00 C ATOM 204 CG LYS A 14 7.208 16.053 -0.326 1.00 0.00 C ATOM 205 CD LYS A 14 6.895 15.919 1.166 1.00 0.00 C ATOM 206 CE LYS A 14 8.022 15.142 1.852 1.00 0.00 C ATOM 207 NZ LYS A 14 7.631 14.783 3.245 1.00 0.00 N ATOM 0 H LYS A 14 5.429 14.559 -0.578 1.00 0.00 H new ATOM 0 HA LYS A 14 4.466 16.789 -2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.691 17.797 -1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.562 17.454 -0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.177 15.075 -0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.216 16.445 -0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.791 16.906 1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.945 15.403 1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.246 14.238 1.286 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.931 15.743 1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.405 14.256 3.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.439 15.650 3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.776 14.192 3.224 1.00 0.00 H new ATOM 221 N GLY A 15 6.224 16.657 -4.127 1.00 0.00 N ATOM 222 CA GLY A 15 7.033 16.348 -5.351 1.00 0.00 C ATOM 223 C GLY A 15 6.183 16.529 -6.613 1.00 0.00 C ATOM 224 O GLY A 15 4.997 16.784 -6.532 1.00 0.00 O ATOM 0 H GLY A 15 5.760 17.565 -4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.903 17.003 -5.394 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.406 15.325 -5.300 1.00 0.00 H new ATOM 228 N GLU A 16 6.807 16.399 -7.753 1.00 0.00 N ATOM 229 CA GLU A 16 6.047 16.559 -9.018 1.00 0.00 C ATOM 230 C GLU A 16 5.277 15.284 -9.341 1.00 0.00 C ATOM 231 O GLU A 16 5.760 14.194 -9.109 1.00 0.00 O ATOM 232 CB GLU A 16 7.046 16.854 -10.157 1.00 0.00 C ATOM 233 CG GLU A 16 7.734 15.554 -10.588 1.00 0.00 C ATOM 234 CD GLU A 16 8.403 14.910 -9.373 1.00 0.00 C ATOM 235 OE1 GLU A 16 9.139 15.629 -8.717 1.00 0.00 O ATOM 236 OE2 GLU A 16 8.143 13.735 -9.171 1.00 0.00 O ATOM 0 H GLU A 16 7.800 16.191 -7.859 1.00 0.00 H new ATOM 0 HA GLU A 16 5.336 17.378 -8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.525 17.300 -11.004 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.790 17.578 -9.823 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.005 14.870 -11.022 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.476 15.760 -11.360 1.00 0.00 H new ATOM 243 N PHE A 17 4.088 15.443 -9.867 1.00 0.00 N ATOM 244 CA PHE A 17 3.268 14.249 -10.210 1.00 0.00 C ATOM 245 C PHE A 17 3.325 13.964 -11.717 1.00 0.00 C ATOM 246 O PHE A 17 3.533 14.862 -12.511 1.00 0.00 O ATOM 247 CB PHE A 17 1.811 14.546 -9.803 1.00 0.00 C ATOM 248 CG PHE A 17 1.712 14.513 -8.275 1.00 0.00 C ATOM 249 CD1 PHE A 17 1.916 13.329 -7.579 1.00 0.00 C ATOM 250 CD2 PHE A 17 1.447 15.669 -7.564 1.00 0.00 C ATOM 251 CE1 PHE A 17 1.857 13.312 -6.200 1.00 0.00 C ATOM 252 CE2 PHE A 17 1.390 15.647 -6.186 1.00 0.00 C ATOM 253 CZ PHE A 17 1.596 14.470 -5.506 1.00 0.00 C ATOM 0 H PHE A 17 3.655 16.344 -10.071 1.00 0.00 H new ATOM 0 HA PHE A 17 3.653 13.376 -9.684 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.504 15.521 -10.181 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.138 13.809 -10.241 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.122 12.417 -8.119 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.283 16.597 -8.092 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.016 12.387 -5.665 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.183 16.556 -5.640 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.553 14.455 -4.427 1.00 0.00 H new ATOM 263 N PRO A 18 3.133 12.704 -12.087 1.00 0.00 N ATOM 264 CA PRO A 18 2.893 11.606 -11.136 1.00 0.00 C ATOM 265 C PRO A 18 4.162 11.203 -10.382 1.00 0.00 C ATOM 266 O PRO A 18 5.262 11.451 -10.835 1.00 0.00 O ATOM 267 CB PRO A 18 2.448 10.422 -12.019 1.00 0.00 C ATOM 268 CG PRO A 18 2.636 10.854 -13.507 1.00 0.00 C ATOM 269 CD PRO A 18 3.103 12.320 -13.500 1.00 0.00 C ATOM 0 HA PRO A 18 2.163 11.902 -10.383 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.041 9.535 -11.799 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.407 10.166 -11.822 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.370 10.219 -14.002 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.702 10.751 -14.059 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.087 12.422 -13.957 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.421 12.954 -14.066 1.00 0.00 H new ATOM 277 N LYS A 19 3.968 10.587 -9.237 1.00 0.00 N ATOM 278 CA LYS A 19 5.130 10.146 -8.414 1.00 0.00 C ATOM 279 C LYS A 19 5.158 8.625 -8.304 1.00 0.00 C ATOM 280 O LYS A 19 4.151 8.004 -8.056 1.00 0.00 O ATOM 281 CB LYS A 19 4.969 10.738 -7.004 1.00 0.00 C ATOM 282 CG LYS A 19 6.341 10.811 -6.330 1.00 0.00 C ATOM 283 CD LYS A 19 6.261 11.766 -5.139 1.00 0.00 C ATOM 284 CE LYS A 19 7.520 11.611 -4.284 1.00 0.00 C ATOM 285 NZ LYS A 19 7.627 10.223 -3.753 1.00 0.00 N ATOM 0 H LYS A 19 3.052 10.373 -8.841 1.00 0.00 H new ATOM 0 HA LYS A 19 6.055 10.484 -8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.526 11.732 -7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.292 10.121 -6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.650 9.820 -5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.091 11.158 -7.041 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.168 12.794 -5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.374 11.550 -4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.402 11.847 -4.880 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.494 12.321 -3.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.166 10.232 -2.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.675 9.844 -3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.115 9.622 -4.448 1.00 0.00 H new ATOM 299 N ASN A 20 6.314 8.055 -8.485 1.00 0.00 N ATOM 300 CA ASN A 20 6.419 6.576 -8.395 1.00 0.00 C ATOM 301 C ASN A 20 6.316 6.098 -6.947 1.00 0.00 C ATOM 302 O ASN A 20 6.664 6.818 -6.030 1.00 0.00 O ATOM 303 CB ASN A 20 7.787 6.161 -8.943 1.00 0.00 C ATOM 304 CG ASN A 20 7.737 6.086 -10.474 1.00 0.00 C ATOM 305 OD1 ASN A 20 7.695 7.195 -11.164 1.00 0.00 O flip ATOM 306 ND2 ASN A 20 7.736 5.016 -11.053 1.00 0.00 N flip ATOM 0 H ASN A 20 7.185 8.545 -8.690 1.00 0.00 H new ATOM 0 HA ASN A 20 5.604 6.132 -8.966 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.546 6.878 -8.630 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.074 5.193 -8.532 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.769 4.147 -10.519 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.703 4.988 -12.072 1.00 0.00 H new ATOM 313 N LEU A 21 5.835 4.883 -6.776 1.00 0.00 N ATOM 314 CA LEU A 21 5.696 4.322 -5.400 1.00 0.00 C ATOM 315 C LEU A 21 6.424 2.993 -5.291 1.00 0.00 C ATOM 316 O LEU A 21 7.389 2.870 -4.563 1.00 0.00 O ATOM 317 CB LEU A 21 4.206 4.078 -5.108 1.00 0.00 C ATOM 318 CG LEU A 21 3.496 5.416 -4.898 1.00 0.00 C ATOM 319 CD1 LEU A 21 2.059 5.148 -4.459 1.00 0.00 C ATOM 320 CD2 LEU A 21 4.208 6.210 -3.800 1.00 0.00 C ATOM 0 H LEU A 21 5.536 4.264 -7.530 1.00 0.00 H new ATOM 0 HA LEU A 21 6.123 5.030 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.747 3.538 -5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.097 3.454 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 21 3.509 5.986 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.543 6.096 -4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.544 4.574 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.063 4.582 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.700 7.163 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.190 5.642 -2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.242 6.392 -4.094 1.00 0.00 H new ATOM 332 N VAL A 22 5.950 2.013 -6.017 1.00 0.00 N ATOM 333 CA VAL A 22 6.621 0.685 -5.955 1.00 0.00 C ATOM 334 C VAL A 22 6.273 -0.171 -7.164 1.00 0.00 C ATOM 335 O VAL A 22 5.285 0.063 -7.827 1.00 0.00 O ATOM 336 CB VAL A 22 6.139 -0.038 -4.692 1.00 0.00 C ATOM 337 CG1 VAL A 22 4.748 -0.624 -4.948 1.00 0.00 C ATOM 338 CG2 VAL A 22 7.111 -1.172 -4.366 1.00 0.00 C ATOM 0 H VAL A 22 5.143 2.074 -6.638 1.00 0.00 H new ATOM 0 HA VAL A 22 7.700 0.840 -5.942 1.00 0.00 H new ATOM 0 HB VAL A 22 6.094 0.662 -3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.400 -1.140 -4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.055 0.180 -5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.797 -1.330 -5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.776 -1.692 -3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.145 -1.873 -5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.106 -0.761 -4.197 1.00 0.00 H new ATOM 348 N GLN A 23 7.097 -1.156 -7.429 1.00 0.00 N ATOM 349 CA GLN A 23 6.821 -2.033 -8.592 1.00 0.00 C ATOM 350 C GLN A 23 5.675 -2.982 -8.274 1.00 0.00 C ATOM 351 O GLN A 23 5.386 -3.250 -7.125 1.00 0.00 O ATOM 352 CB GLN A 23 8.083 -2.857 -8.915 1.00 0.00 C ATOM 353 CG GLN A 23 9.044 -2.012 -9.765 1.00 0.00 C ATOM 354 CD GLN A 23 9.856 -2.935 -10.680 1.00 0.00 C ATOM 355 OE1 GLN A 23 11.007 -3.225 -10.423 1.00 0.00 O ATOM 356 NE2 GLN A 23 9.294 -3.415 -11.759 1.00 0.00 N ATOM 0 H GLN A 23 7.935 -1.383 -6.894 1.00 0.00 H new ATOM 0 HA GLN A 23 6.547 -1.415 -9.447 1.00 0.00 H new ATOM 0 HB2 GLN A 23 8.574 -3.167 -7.992 1.00 0.00 H new ATOM 0 HB3 GLN A 23 7.809 -3.766 -9.451 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.483 -1.292 -10.361 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.712 -1.441 -9.120 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.328 -3.175 -11.980 1.00 0.00 H new ATOM 0 HE22 GLN A 23 9.822 -4.029 -12.379 1.00 0.00 H new ATOM 365 N ILE A 24 5.045 -3.475 -9.297 1.00 0.00 N ATOM 366 CA ILE A 24 3.911 -4.409 -9.080 1.00 0.00 C ATOM 367 C ILE A 24 4.378 -5.880 -9.026 1.00 0.00 C ATOM 368 O ILE A 24 5.521 -6.181 -9.305 1.00 0.00 O ATOM 369 CB ILE A 24 2.954 -4.212 -10.249 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.035 -3.018 -9.962 1.00 0.00 C ATOM 371 CG2 ILE A 24 2.109 -5.478 -10.425 1.00 0.00 C ATOM 372 CD1 ILE A 24 0.860 -3.460 -9.091 1.00 0.00 C ATOM 0 H ILE A 24 5.265 -3.273 -10.272 1.00 0.00 H new ATOM 0 HA ILE A 24 3.434 -4.197 -8.123 1.00 0.00 H new ATOM 0 HB ILE A 24 3.521 -4.020 -11.160 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.595 -2.230 -9.459 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.667 -2.599 -10.898 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.422 -5.344 -11.260 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.763 -6.327 -10.626 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.541 -5.666 -9.514 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.213 -2.606 -8.892 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.292 -4.232 -9.610 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.235 -3.858 -8.148 1.00 0.00 H new ATOM 384 N LYS A 25 3.458 -6.770 -8.658 1.00 0.00 N ATOM 385 CA LYS A 25 3.803 -8.225 -8.570 1.00 0.00 C ATOM 386 C LYS A 25 2.823 -9.106 -9.371 1.00 0.00 C ATOM 387 O LYS A 25 1.638 -9.117 -9.097 1.00 0.00 O ATOM 388 CB LYS A 25 3.691 -8.647 -7.095 1.00 0.00 C ATOM 389 CG LYS A 25 4.549 -7.716 -6.213 1.00 0.00 C ATOM 390 CD LYS A 25 3.759 -6.446 -5.811 1.00 0.00 C ATOM 391 CE LYS A 25 2.389 -6.826 -5.231 1.00 0.00 C ATOM 392 NZ LYS A 25 1.977 -5.844 -4.195 1.00 0.00 N ATOM 0 H LYS A 25 2.493 -6.540 -8.419 1.00 0.00 H new ATOM 0 HA LYS A 25 4.805 -8.359 -8.977 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.650 -8.607 -6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.021 -9.679 -6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.867 -8.249 -5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.453 -7.431 -6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.326 -5.875 -5.076 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.626 -5.802 -6.681 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.646 -6.858 -6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.435 -7.825 -4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.716 -6.348 -3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.766 -5.196 -3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.160 -5.300 -4.538 1.00 0.00 H new ATOM 406 N SER A 26 3.343 -9.828 -10.344 1.00 0.00 N ATOM 407 CA SER A 26 2.462 -10.716 -11.172 1.00 0.00 C ATOM 408 C SER A 26 2.671 -12.171 -10.789 1.00 0.00 C ATOM 409 O SER A 26 2.197 -12.630 -9.770 1.00 0.00 O ATOM 410 CB SER A 26 2.841 -10.562 -12.658 1.00 0.00 C ATOM 411 OG SER A 26 2.278 -11.705 -13.282 1.00 0.00 O ATOM 0 H SER A 26 4.331 -9.839 -10.597 1.00 0.00 H new ATOM 0 HA SER A 26 1.424 -10.432 -11.001 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.438 -9.640 -13.078 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.922 -10.528 -12.792 1.00 0.00 H new ATOM 0 HG SER A 26 2.474 -11.684 -14.242 1.00 0.00 H new ATOM 417 N ASN A 27 3.381 -12.864 -11.627 1.00 0.00 N ATOM 418 CA ASN A 27 3.656 -14.292 -11.366 1.00 0.00 C ATOM 419 C ASN A 27 4.518 -14.866 -12.491 1.00 0.00 C ATOM 420 O ASN A 27 5.535 -15.482 -12.244 1.00 0.00 O ATOM 421 CB ASN A 27 2.318 -15.046 -11.311 1.00 0.00 C ATOM 422 CG ASN A 27 2.190 -15.746 -9.958 1.00 0.00 C ATOM 423 OD1 ASN A 27 3.118 -16.363 -9.474 1.00 0.00 O ATOM 424 ND2 ASN A 27 1.057 -15.676 -9.316 1.00 0.00 N ATOM 0 H ASN A 27 3.785 -12.496 -12.488 1.00 0.00 H new ATOM 0 HA ASN A 27 4.188 -14.400 -10.421 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.490 -14.352 -11.455 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.265 -15.777 -12.118 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.953 -16.138 -8.412 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.274 -15.159 -9.717 1.00 0.00 H new ATOM 431 N ARG A 28 4.096 -14.643 -13.711 1.00 0.00 N ATOM 432 CA ARG A 28 4.881 -15.165 -14.862 1.00 0.00 C ATOM 433 C ARG A 28 6.143 -14.339 -15.070 1.00 0.00 C ATOM 434 O ARG A 28 6.814 -14.458 -16.078 1.00 0.00 O ATOM 435 CB ARG A 28 4.013 -15.075 -16.132 1.00 0.00 C ATOM 436 CG ARG A 28 3.092 -16.296 -16.209 1.00 0.00 C ATOM 437 CD ARG A 28 2.148 -16.300 -15.014 1.00 0.00 C ATOM 438 NE ARG A 28 1.216 -17.454 -15.144 1.00 0.00 N ATOM 439 CZ ARG A 28 1.637 -18.554 -15.707 1.00 0.00 C ATOM 440 NH1 ARG A 28 2.332 -19.400 -14.996 1.00 0.00 N ATOM 441 NH2 ARG A 28 1.350 -18.772 -16.961 1.00 0.00 N ATOM 0 H ARG A 28 3.250 -14.127 -13.954 1.00 0.00 H new ATOM 0 HA ARG A 28 5.165 -16.197 -14.659 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.421 -14.160 -16.116 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.648 -15.029 -17.017 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.520 -16.275 -17.137 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.684 -17.211 -16.220 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.714 -16.375 -14.086 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.588 -15.366 -14.972 1.00 0.00 H new ATOM 0 HE ARG A 28 0.259 -17.386 -14.797 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.537 -19.196 -14.018 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.669 -20.265 -15.419 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.805 -18.088 -17.486 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.671 -19.626 -17.417 1.00 0.00 H new ATOM 455 N ASP A 29 6.448 -13.519 -14.107 1.00 0.00 N ATOM 456 CA ASP A 29 7.659 -12.674 -14.224 1.00 0.00 C ATOM 457 C ASP A 29 8.922 -13.525 -14.193 1.00 0.00 C ATOM 458 O ASP A 29 9.994 -13.028 -13.905 1.00 0.00 O ATOM 459 CB ASP A 29 7.687 -11.709 -13.030 1.00 0.00 C ATOM 460 CG ASP A 29 8.163 -12.460 -11.784 1.00 0.00 C ATOM 461 OD1 ASP A 29 9.370 -12.514 -11.613 1.00 0.00 O ATOM 462 OD2 ASP A 29 7.293 -12.935 -11.074 1.00 0.00 O ATOM 0 H ASP A 29 5.912 -13.399 -13.248 1.00 0.00 H new ATOM 0 HA ASP A 29 7.627 -12.134 -15.170 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.352 -10.871 -13.240 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.694 -11.293 -12.861 1.00 0.00 H new ATOM 467 N LYS A 30 8.768 -14.793 -14.494 1.00 0.00 N ATOM 468 CA LYS A 30 9.943 -15.708 -14.492 1.00 0.00 C ATOM 469 C LYS A 30 10.186 -16.293 -15.880 1.00 0.00 C ATOM 470 O LYS A 30 11.235 -16.850 -16.140 1.00 0.00 O ATOM 471 CB LYS A 30 9.653 -16.860 -13.516 1.00 0.00 C ATOM 472 CG LYS A 30 9.173 -16.277 -12.183 1.00 0.00 C ATOM 473 CD LYS A 30 8.709 -17.417 -11.272 1.00 0.00 C ATOM 474 CE LYS A 30 8.178 -16.830 -9.961 1.00 0.00 C ATOM 475 NZ LYS A 30 9.260 -16.101 -9.243 1.00 0.00 N ATOM 0 H LYS A 30 7.879 -15.229 -14.740 1.00 0.00 H new ATOM 0 HA LYS A 30 10.829 -15.147 -14.193 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.894 -17.523 -13.932 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.551 -17.459 -13.363 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.978 -15.719 -11.706 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.356 -15.576 -12.352 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.930 -17.999 -11.765 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.536 -18.097 -11.071 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.349 -16.153 -10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.787 -17.628 -9.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.984 -15.960 -8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.138 -16.657 -9.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.415 -15.177 -9.694 1.00 0.00 H new ATOM 489 N GLU A 31 9.212 -16.155 -16.751 1.00 0.00 N ATOM 490 CA GLU A 31 9.380 -16.704 -18.130 1.00 0.00 C ATOM 491 C GLU A 31 9.750 -15.610 -19.122 1.00 0.00 C ATOM 492 O GLU A 31 10.584 -15.808 -19.982 1.00 0.00 O ATOM 493 CB GLU A 31 8.050 -17.336 -18.574 1.00 0.00 C ATOM 494 CG GLU A 31 6.888 -16.572 -17.941 1.00 0.00 C ATOM 495 CD GLU A 31 5.565 -17.158 -18.445 1.00 0.00 C ATOM 496 OE1 GLU A 31 5.464 -18.373 -18.409 1.00 0.00 O ATOM 497 OE2 GLU A 31 4.731 -16.358 -18.836 1.00 0.00 O ATOM 0 H GLU A 31 8.322 -15.692 -16.568 1.00 0.00 H new ATOM 0 HA GLU A 31 10.182 -17.442 -18.111 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.967 -17.310 -19.661 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.016 -18.384 -18.276 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.940 -16.642 -16.855 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.951 -15.514 -18.196 1.00 0.00 H new ATOM 504 N THR A 32 9.126 -14.473 -18.990 1.00 0.00 N ATOM 505 CA THR A 32 9.440 -13.367 -19.928 1.00 0.00 C ATOM 506 C THR A 32 9.061 -12.014 -19.338 1.00 0.00 C ATOM 507 O THR A 32 8.251 -11.934 -18.436 1.00 0.00 O ATOM 508 CB THR A 32 8.623 -13.590 -21.207 1.00 0.00 C ATOM 509 OG1 THR A 32 9.187 -12.723 -22.168 1.00 0.00 O ATOM 510 CG2 THR A 32 7.180 -13.093 -21.036 1.00 0.00 C ATOM 0 H THR A 32 8.422 -14.266 -18.282 1.00 0.00 H new ATOM 0 HA THR A 32 10.511 -13.364 -20.128 1.00 0.00 H new ATOM 0 HB THR A 32 8.630 -14.649 -21.466 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.707 -12.819 -23.017 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.625 -13.264 -21.958 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.703 -13.635 -20.219 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.187 -12.027 -20.809 1.00 0.00 H new ATOM 518 N LYS A 33 9.664 -10.968 -19.849 1.00 0.00 N ATOM 519 CA LYS A 33 9.333 -9.627 -19.317 1.00 0.00 C ATOM 520 C LYS A 33 7.827 -9.457 -19.323 1.00 0.00 C ATOM 521 O LYS A 33 7.211 -9.436 -20.371 1.00 0.00 O ATOM 522 CB LYS A 33 9.966 -8.563 -20.224 1.00 0.00 C ATOM 523 CG LYS A 33 9.910 -7.210 -19.515 1.00 0.00 C ATOM 524 CD LYS A 33 10.548 -6.147 -20.411 1.00 0.00 C ATOM 525 CE LYS A 33 12.052 -6.410 -20.509 1.00 0.00 C ATOM 526 NZ LYS A 33 12.816 -5.152 -20.280 1.00 0.00 N ATOM 0 H LYS A 33 10.357 -10.991 -20.597 1.00 0.00 H new ATOM 0 HA LYS A 33 9.714 -9.520 -18.301 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.999 -8.827 -20.451 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.434 -8.513 -21.174 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.876 -6.944 -19.294 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.436 -7.263 -18.562 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.097 -6.172 -21.403 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.366 -5.153 -20.003 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.345 -7.160 -19.774 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.293 -6.816 -21.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.835 -5.347 -20.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.548 -4.448 -20.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.599 -4.781 -19.333 1.00 0.00 H new ATOM 540 N VAL A 34 7.260 -9.331 -18.154 1.00 0.00 N ATOM 541 CA VAL A 34 5.789 -9.166 -18.073 1.00 0.00 C ATOM 542 C VAL A 34 5.359 -7.713 -17.881 1.00 0.00 C ATOM 543 O VAL A 34 5.917 -6.982 -17.088 1.00 0.00 O ATOM 544 CB VAL A 34 5.289 -10.001 -16.878 1.00 0.00 C ATOM 545 CG1 VAL A 34 6.033 -9.580 -15.616 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.795 -9.760 -16.675 1.00 0.00 C ATOM 0 H VAL A 34 7.751 -9.336 -17.260 1.00 0.00 H new ATOM 0 HA VAL A 34 5.358 -9.499 -19.017 1.00 0.00 H new ATOM 0 HB VAL A 34 5.469 -11.057 -17.079 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.679 -10.171 -14.771 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.102 -9.745 -15.752 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.851 -8.523 -15.422 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.443 -10.351 -15.830 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.621 -8.703 -16.476 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.254 -10.054 -17.574 1.00 0.00 H new ATOM 556 N PHE A 35 4.356 -7.344 -18.635 1.00 0.00 N ATOM 557 CA PHE A 35 3.811 -5.967 -18.571 1.00 0.00 C ATOM 558 C PHE A 35 2.590 -5.966 -17.654 1.00 0.00 C ATOM 559 O PHE A 35 2.026 -7.015 -17.400 1.00 0.00 O ATOM 560 CB PHE A 35 3.385 -5.562 -19.994 1.00 0.00 C ATOM 561 CG PHE A 35 4.611 -5.076 -20.780 1.00 0.00 C ATOM 562 CD1 PHE A 35 5.889 -5.475 -20.421 1.00 0.00 C ATOM 563 CD2 PHE A 35 4.455 -4.221 -21.857 1.00 0.00 C ATOM 564 CE1 PHE A 35 6.986 -5.022 -21.125 1.00 0.00 C ATOM 565 CE2 PHE A 35 5.555 -3.772 -22.559 1.00 0.00 C ATOM 566 CZ PHE A 35 6.818 -4.173 -22.191 1.00 0.00 C ATOM 0 H PHE A 35 3.887 -7.955 -19.303 1.00 0.00 H new ATOM 0 HA PHE A 35 4.554 -5.269 -18.186 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.927 -6.410 -20.503 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.633 -4.774 -19.949 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.027 -6.145 -19.585 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.465 -3.903 -22.150 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.978 -5.336 -20.837 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.424 -3.105 -23.398 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.678 -3.820 -22.741 1.00 0.00 H new ATOM 576 N TYR A 36 2.193 -4.798 -17.174 1.00 0.00 N ATOM 577 CA TYR A 36 1.000 -4.757 -16.260 1.00 0.00 C ATOM 578 C TYR A 36 -0.121 -3.825 -16.705 1.00 0.00 C ATOM 579 O TYR A 36 -0.052 -3.157 -17.712 1.00 0.00 O ATOM 580 CB TYR A 36 1.478 -4.254 -14.904 1.00 0.00 C ATOM 581 CG TYR A 36 2.132 -5.390 -14.147 1.00 0.00 C ATOM 582 CD1 TYR A 36 1.366 -6.293 -13.444 1.00 0.00 C ATOM 583 CD2 TYR A 36 3.501 -5.523 -14.137 1.00 0.00 C ATOM 584 CE1 TYR A 36 1.961 -7.309 -12.741 1.00 0.00 C ATOM 585 CE2 TYR A 36 4.096 -6.536 -13.436 1.00 0.00 C ATOM 586 CZ TYR A 36 3.339 -7.438 -12.732 1.00 0.00 C ATOM 587 OH TYR A 36 3.946 -8.430 -12.000 1.00 0.00 O ATOM 0 H TYR A 36 2.632 -3.898 -17.371 1.00 0.00 H new ATOM 0 HA TYR A 36 0.589 -5.767 -16.249 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.186 -3.436 -15.036 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.637 -3.859 -14.334 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.290 -6.200 -13.446 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.111 -4.822 -14.687 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.352 -8.012 -12.192 1.00 0.00 H new ATOM 0 HE2 TYR A 36 5.172 -6.627 -13.437 1.00 0.00 H new ATOM 0 HH TYR A 36 4.917 -8.296 -12.009 1.00 0.00 H new ATOM 597 N SER A 37 -1.147 -3.834 -15.897 1.00 0.00 N ATOM 598 CA SER A 37 -2.340 -2.999 -16.143 1.00 0.00 C ATOM 599 C SER A 37 -3.113 -2.876 -14.835 1.00 0.00 C ATOM 600 O SER A 37 -3.274 -3.854 -14.132 1.00 0.00 O ATOM 601 CB SER A 37 -3.224 -3.693 -17.189 1.00 0.00 C ATOM 602 OG SER A 37 -2.506 -3.546 -18.403 1.00 0.00 O ATOM 0 H SER A 37 -1.201 -4.405 -15.054 1.00 0.00 H new ATOM 0 HA SER A 37 -2.050 -2.012 -16.505 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.381 -4.743 -16.944 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.208 -3.229 -17.250 1.00 0.00 H new ATOM 0 HG SER A 37 -1.672 -3.060 -18.233 1.00 0.00 H new ATOM 608 N ILE A 38 -3.573 -1.684 -14.521 1.00 0.00 N ATOM 609 CA ILE A 38 -4.337 -1.504 -13.243 1.00 0.00 C ATOM 610 C ILE A 38 -5.713 -0.900 -13.475 1.00 0.00 C ATOM 611 O ILE A 38 -5.924 -0.149 -14.407 1.00 0.00 O ATOM 612 CB ILE A 38 -3.540 -0.557 -12.350 1.00 0.00 C ATOM 613 CG1 ILE A 38 -4.228 -0.431 -10.994 1.00 0.00 C ATOM 614 CG2 ILE A 38 -3.501 0.829 -13.017 1.00 0.00 C ATOM 615 CD1 ILE A 38 -3.270 0.229 -9.998 1.00 0.00 C ATOM 0 H ILE A 38 -3.455 -0.842 -15.084 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.475 -2.483 -12.785 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.530 -0.944 -12.212 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.137 0.162 -11.089 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.526 -1.415 -10.632 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.935 1.518 -12.391 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.023 0.750 -13.993 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.518 1.202 -13.140 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.759 0.320 -9.028 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.373 -0.382 -9.896 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.995 1.220 -10.360 1.00 0.00 H new ATOM 627 N THR A 39 -6.630 -1.250 -12.606 1.00 0.00 N ATOM 628 CA THR A 39 -8.008 -0.722 -12.732 1.00 0.00 C ATOM 629 C THR A 39 -8.735 -0.802 -11.390 1.00 0.00 C ATOM 630 O THR A 39 -8.378 -1.597 -10.535 1.00 0.00 O ATOM 631 CB THR A 39 -8.766 -1.575 -13.754 1.00 0.00 C ATOM 632 OG1 THR A 39 -9.957 -0.862 -14.025 1.00 0.00 O ATOM 633 CG2 THR A 39 -9.238 -2.891 -13.123 1.00 0.00 C ATOM 0 H THR A 39 -6.476 -1.879 -11.818 1.00 0.00 H new ATOM 0 HA THR A 39 -7.965 0.319 -13.051 1.00 0.00 H new ATOM 0 HB THR A 39 -8.129 -1.772 -14.616 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.877 0.052 -13.679 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.774 -3.480 -13.868 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.375 -3.454 -12.767 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.901 -2.676 -12.285 1.00 0.00 H new ATOM 641 N GLY A 40 -9.740 0.029 -11.230 1.00 0.00 N ATOM 642 CA GLY A 40 -10.516 0.028 -9.948 1.00 0.00 C ATOM 643 C GLY A 40 -10.589 1.443 -9.366 1.00 0.00 C ATOM 644 O GLY A 40 -10.206 2.403 -10.008 1.00 0.00 O ATOM 0 H GLY A 40 -10.054 0.704 -11.927 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.522 -0.351 -10.125 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.044 -0.643 -9.230 1.00 0.00 H new ATOM 648 N GLN A 41 -11.079 1.543 -8.160 1.00 0.00 N ATOM 649 CA GLN A 41 -11.184 2.879 -7.525 1.00 0.00 C ATOM 650 C GLN A 41 -9.848 3.603 -7.581 1.00 0.00 C ATOM 651 O GLN A 41 -8.822 3.038 -7.253 1.00 0.00 O ATOM 652 CB GLN A 41 -11.575 2.687 -6.052 1.00 0.00 C ATOM 653 CG GLN A 41 -10.390 2.084 -5.296 1.00 0.00 C ATOM 654 CD GLN A 41 -10.893 1.419 -4.011 1.00 0.00 C ATOM 655 OE1 GLN A 41 -10.824 1.987 -2.939 1.00 0.00 O ATOM 656 NE2 GLN A 41 -11.403 0.219 -4.076 1.00 0.00 N ATOM 0 H GLN A 41 -11.408 0.761 -7.594 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.931 3.470 -8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.857 3.643 -5.610 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.443 2.032 -5.975 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.879 1.352 -5.922 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.664 2.861 -5.057 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.463 -0.262 -4.974 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.741 -0.238 -3.229 1.00 0.00 H new ATOM 665 N GLY A 42 -9.879 4.840 -7.999 1.00 0.00 N ATOM 666 CA GLY A 42 -8.607 5.618 -8.080 1.00 0.00 C ATOM 667 C GLY A 42 -8.076 5.614 -9.517 1.00 0.00 C ATOM 668 O GLY A 42 -7.277 6.455 -9.893 1.00 0.00 O ATOM 0 H GLY A 42 -10.720 5.342 -8.285 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.777 6.643 -7.750 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.865 5.186 -7.409 1.00 0.00 H new ATOM 672 N ALA A 43 -8.528 4.655 -10.281 1.00 0.00 N ATOM 673 CA ALA A 43 -8.083 4.554 -11.694 1.00 0.00 C ATOM 674 C ALA A 43 -9.235 4.912 -12.619 1.00 0.00 C ATOM 675 O ALA A 43 -9.310 6.018 -13.123 1.00 0.00 O ATOM 676 CB ALA A 43 -7.656 3.101 -11.965 1.00 0.00 C ATOM 0 H ALA A 43 -9.188 3.937 -9.983 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.252 5.237 -11.872 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.325 3.006 -12.999 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.839 2.831 -11.296 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.501 2.435 -11.792 1.00 0.00 H new ATOM 682 N ASP A 44 -10.118 3.967 -12.817 1.00 0.00 N ATOM 683 CA ASP A 44 -11.282 4.215 -13.702 1.00 0.00 C ATOM 684 C ASP A 44 -12.530 4.479 -12.867 1.00 0.00 C ATOM 685 O ASP A 44 -13.496 5.038 -13.347 1.00 0.00 O ATOM 686 CB ASP A 44 -11.514 2.963 -14.561 1.00 0.00 C ATOM 687 CG ASP A 44 -11.947 1.804 -13.662 1.00 0.00 C ATOM 688 OD1 ASP A 44 -13.140 1.725 -13.417 1.00 0.00 O ATOM 689 OD2 ASP A 44 -11.061 1.063 -13.271 1.00 0.00 O ATOM 0 H ASP A 44 -10.078 3.036 -12.402 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.084 5.084 -14.330 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.279 3.160 -15.312 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.601 2.701 -15.096 1.00 0.00 H new ATOM 694 N LYS A 45 -12.479 4.067 -11.621 1.00 0.00 N ATOM 695 CA LYS A 45 -13.645 4.278 -10.724 1.00 0.00 C ATOM 696 C LYS A 45 -13.408 5.496 -9.815 1.00 0.00 C ATOM 697 O LYS A 45 -12.282 5.808 -9.473 1.00 0.00 O ATOM 698 CB LYS A 45 -13.802 3.025 -9.844 1.00 0.00 C ATOM 699 CG LYS A 45 -14.956 2.173 -10.381 1.00 0.00 C ATOM 700 CD LYS A 45 -14.898 0.783 -9.737 1.00 0.00 C ATOM 701 CE LYS A 45 -14.866 -0.279 -10.836 1.00 0.00 C ATOM 702 NZ LYS A 45 -14.586 -1.621 -10.256 1.00 0.00 N ATOM 0 H LYS A 45 -11.681 3.596 -11.194 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.539 4.454 -11.322 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.877 2.448 -9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.997 3.314 -8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.910 2.650 -10.159 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.887 2.088 -11.465 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.013 0.698 -9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.764 0.631 -9.093 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.821 -0.296 -11.362 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.102 -0.027 -11.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.568 -2.331 -11.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.664 -1.606 -9.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.330 -1.866 -9.572 1.00 0.00 H new ATOM 716 N PRO A 46 -14.488 6.163 -9.433 1.00 0.00 N ATOM 717 CA PRO A 46 -14.394 7.339 -8.569 1.00 0.00 C ATOM 718 C PRO A 46 -13.698 6.999 -7.229 1.00 0.00 C ATOM 719 O PRO A 46 -14.065 6.043 -6.575 1.00 0.00 O ATOM 720 CB PRO A 46 -15.862 7.741 -8.292 1.00 0.00 C ATOM 721 CG PRO A 46 -16.775 6.727 -9.048 1.00 0.00 C ATOM 722 CD PRO A 46 -15.853 5.774 -9.823 1.00 0.00 C ATOM 0 HA PRO A 46 -13.810 8.130 -9.039 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.070 7.721 -7.222 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.052 8.758 -8.635 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.398 6.173 -8.346 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.448 7.249 -9.728 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.055 4.734 -9.567 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.999 5.872 -10.899 1.00 0.00 H new ATOM 730 N PRO A 47 -12.694 7.794 -6.836 1.00 0.00 N ATOM 731 CA PRO A 47 -12.199 8.943 -7.615 1.00 0.00 C ATOM 732 C PRO A 47 -11.515 8.487 -8.905 1.00 0.00 C ATOM 733 O PRO A 47 -10.570 7.727 -8.873 1.00 0.00 O ATOM 734 CB PRO A 47 -11.152 9.617 -6.700 1.00 0.00 C ATOM 735 CG PRO A 47 -11.017 8.739 -5.420 1.00 0.00 C ATOM 736 CD PRO A 47 -12.015 7.576 -5.556 1.00 0.00 C ATOM 0 HA PRO A 47 -13.015 9.606 -7.902 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.193 9.700 -7.211 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -11.464 10.629 -6.440 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.999 8.362 -5.318 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.230 9.326 -4.527 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.502 6.614 -5.542 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -12.726 7.570 -4.730 1.00 0.00 H new ATOM 744 N VAL A 48 -12.006 8.963 -10.013 1.00 0.00 N ATOM 745 CA VAL A 48 -11.400 8.568 -11.306 1.00 0.00 C ATOM 746 C VAL A 48 -10.128 9.366 -11.592 1.00 0.00 C ATOM 747 O VAL A 48 -10.160 10.576 -11.696 1.00 0.00 O ATOM 748 CB VAL A 48 -12.424 8.844 -12.421 1.00 0.00 C ATOM 749 CG1 VAL A 48 -13.179 10.140 -12.108 1.00 0.00 C ATOM 750 CG2 VAL A 48 -11.688 8.997 -13.754 1.00 0.00 C ATOM 0 H VAL A 48 -12.796 9.605 -10.077 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.136 7.511 -11.263 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.130 8.016 -12.483 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.905 10.338 -12.897 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.697 10.038 -11.155 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.472 10.968 -12.050 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.409 9.193 -14.547 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.986 9.828 -13.689 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.144 8.079 -13.977 1.00 0.00 H new ATOM 760 N GLY A 49 -9.029 8.671 -11.713 1.00 0.00 N ATOM 761 CA GLY A 49 -7.745 9.374 -11.995 1.00 0.00 C ATOM 762 C GLY A 49 -6.986 9.673 -10.702 1.00 0.00 C ATOM 763 O GLY A 49 -7.051 10.770 -10.180 1.00 0.00 O ATOM 0 H GLY A 49 -8.965 7.656 -11.630 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.127 8.760 -12.650 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.945 10.304 -12.526 1.00 0.00 H new ATOM 767 N VAL A 50 -6.279 8.690 -10.211 1.00 0.00 N ATOM 768 CA VAL A 50 -5.511 8.896 -8.959 1.00 0.00 C ATOM 769 C VAL A 50 -4.283 7.990 -8.928 1.00 0.00 C ATOM 770 O VAL A 50 -3.237 8.381 -8.433 1.00 0.00 O ATOM 771 CB VAL A 50 -6.417 8.560 -7.763 1.00 0.00 C ATOM 772 CG1 VAL A 50 -5.598 8.642 -6.474 1.00 0.00 C ATOM 773 CG2 VAL A 50 -7.560 9.576 -7.698 1.00 0.00 C ATOM 0 H VAL A 50 -6.203 7.760 -10.623 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.181 9.934 -8.909 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.823 7.555 -7.878 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.235 8.405 -5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.774 7.930 -6.520 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.200 9.650 -6.359 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.206 9.343 -6.852 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.149 10.578 -7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.140 9.531 -8.620 1.00 0.00 H new ATOM 783 N PHE A 51 -4.439 6.786 -9.458 1.00 0.00 N ATOM 784 CA PHE A 51 -3.290 5.820 -9.478 1.00 0.00 C ATOM 785 C PHE A 51 -3.000 5.345 -10.902 1.00 0.00 C ATOM 786 O PHE A 51 -3.901 4.974 -11.628 1.00 0.00 O ATOM 787 CB PHE A 51 -3.661 4.576 -8.640 1.00 0.00 C ATOM 788 CG PHE A 51 -3.812 4.948 -7.164 1.00 0.00 C ATOM 789 CD1 PHE A 51 -4.984 5.507 -6.704 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.794 4.686 -6.262 1.00 0.00 C ATOM 791 CE1 PHE A 51 -5.146 5.799 -5.368 1.00 0.00 C ATOM 792 CE2 PHE A 51 -2.956 4.980 -4.924 1.00 0.00 C ATOM 793 CZ PHE A 51 -4.134 5.535 -4.479 1.00 0.00 C ATOM 0 H PHE A 51 -5.305 6.440 -9.872 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.414 6.327 -9.074 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.592 4.146 -9.010 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.891 3.813 -8.752 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.784 5.718 -7.398 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.869 4.249 -6.608 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.070 6.236 -5.019 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.158 4.775 -4.226 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.262 5.763 -3.431 1.00 0.00 H new ATOM 803 N ILE A 52 -1.742 5.365 -11.274 1.00 0.00 N ATOM 804 CA ILE A 52 -1.366 4.914 -12.647 1.00 0.00 C ATOM 805 C ILE A 52 -0.129 4.064 -12.593 1.00 0.00 C ATOM 806 O ILE A 52 0.823 4.389 -11.913 1.00 0.00 O ATOM 807 CB ILE A 52 -1.089 6.133 -13.526 1.00 0.00 C ATOM 808 CG1 ILE A 52 -0.330 7.185 -12.735 1.00 0.00 C ATOM 809 CG2 ILE A 52 -2.430 6.731 -13.980 1.00 0.00 C ATOM 810 CD1 ILE A 52 0.504 8.030 -13.703 1.00 0.00 C ATOM 0 H ILE A 52 -0.965 5.673 -10.689 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.188 4.331 -13.062 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.493 5.828 -14.386 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.027 7.819 -12.186 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.316 6.708 -11.998 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.246 7.602 -14.608 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.987 5.986 -14.547 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.009 7.030 -13.106 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.053 8.788 -13.144 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.209 7.388 -14.232 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.155 8.516 -14.423 1.00 0.00 H new ATOM 822 N ILE A 53 -0.166 2.987 -13.325 1.00 0.00 N ATOM 823 CA ILE A 53 0.990 2.071 -13.352 1.00 0.00 C ATOM 824 C ILE A 53 1.632 2.013 -14.731 1.00 0.00 C ATOM 825 O ILE A 53 0.969 2.168 -15.737 1.00 0.00 O ATOM 826 CB ILE A 53 0.473 0.682 -13.002 1.00 0.00 C ATOM 827 CG1 ILE A 53 1.655 -0.250 -12.803 1.00 0.00 C ATOM 828 CG2 ILE A 53 -0.400 0.180 -14.175 1.00 0.00 C ATOM 829 CD1 ILE A 53 1.282 -1.689 -13.195 1.00 0.00 C ATOM 0 H ILE A 53 -0.955 2.706 -13.907 1.00 0.00 H new ATOM 0 HA ILE A 53 1.742 2.424 -12.647 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.118 0.710 -12.086 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.498 0.090 -13.405 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.975 -0.223 -11.761 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.781 -0.815 -13.945 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.236 0.863 -14.325 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.201 0.137 -15.083 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.142 -2.341 -13.045 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.454 -2.032 -12.575 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.985 -1.715 -14.243 1.00 0.00 H new ATOM 841 N GLU A 54 2.920 1.794 -14.749 1.00 0.00 N ATOM 842 CA GLU A 54 3.626 1.717 -16.043 1.00 0.00 C ATOM 843 C GLU A 54 3.491 0.306 -16.614 1.00 0.00 C ATOM 844 O GLU A 54 4.197 -0.603 -16.224 1.00 0.00 O ATOM 845 CB GLU A 54 5.113 2.038 -15.809 1.00 0.00 C ATOM 846 CG GLU A 54 5.529 3.193 -16.726 1.00 0.00 C ATOM 847 CD GLU A 54 5.096 2.884 -18.161 1.00 0.00 C ATOM 848 OE1 GLU A 54 5.700 1.988 -18.728 1.00 0.00 O ATOM 849 OE2 GLU A 54 4.185 3.559 -18.609 1.00 0.00 O ATOM 0 H GLU A 54 3.504 1.667 -13.923 1.00 0.00 H new ATOM 0 HA GLU A 54 3.196 2.429 -16.747 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.279 2.308 -14.766 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.724 1.158 -16.012 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.071 4.123 -16.389 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.609 3.335 -16.683 1.00 0.00 H new ATOM 856 N ARG A 55 2.578 0.156 -17.521 1.00 0.00 N ATOM 857 CA ARG A 55 2.359 -1.173 -18.139 1.00 0.00 C ATOM 858 C ARG A 55 3.664 -1.851 -18.550 1.00 0.00 C ATOM 859 O ARG A 55 3.686 -3.039 -18.788 1.00 0.00 O ATOM 860 CB ARG A 55 1.498 -0.973 -19.394 1.00 0.00 C ATOM 861 CG ARG A 55 1.512 -2.259 -20.221 1.00 0.00 C ATOM 862 CD ARG A 55 0.398 -2.200 -21.261 1.00 0.00 C ATOM 863 NE ARG A 55 0.224 -0.791 -21.701 1.00 0.00 N ATOM 864 CZ ARG A 55 0.171 -0.526 -22.972 1.00 0.00 C ATOM 865 NH1 ARG A 55 1.282 -0.501 -23.657 1.00 0.00 N ATOM 866 NH2 ARG A 55 -0.989 -0.293 -23.520 1.00 0.00 N ATOM 0 H ARG A 55 1.970 0.900 -17.864 1.00 0.00 H new ATOM 0 HA ARG A 55 1.874 -1.814 -17.403 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.476 -0.718 -19.112 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.882 -0.142 -19.985 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.478 -2.379 -20.712 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.374 -3.124 -19.572 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.644 -2.833 -22.113 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.532 -2.581 -20.839 1.00 0.00 H new ATOM 0 HE ARG A 55 0.147 -0.041 -21.014 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.171 -0.688 -23.193 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.261 -0.295 -24.656 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.836 -0.320 -22.952 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.049 -0.083 -24.516 1.00 0.00 H new ATOM 880 N GLU A 56 4.730 -1.103 -18.610 1.00 0.00 N ATOM 881 CA GLU A 56 6.022 -1.724 -19.009 1.00 0.00 C ATOM 882 C GLU A 56 6.810 -2.233 -17.811 1.00 0.00 C ATOM 883 O GLU A 56 6.947 -3.425 -17.613 1.00 0.00 O ATOM 884 CB GLU A 56 6.868 -0.660 -19.729 1.00 0.00 C ATOM 885 CG GLU A 56 6.135 -0.205 -20.995 1.00 0.00 C ATOM 886 CD GLU A 56 7.051 0.709 -21.813 1.00 0.00 C ATOM 887 OE1 GLU A 56 7.991 1.210 -21.216 1.00 0.00 O ATOM 888 OE2 GLU A 56 6.760 0.856 -22.989 1.00 0.00 O ATOM 0 H GLU A 56 4.763 -0.105 -18.404 1.00 0.00 H new ATOM 0 HA GLU A 56 5.803 -2.575 -19.654 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.042 0.190 -19.070 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.845 -1.069 -19.987 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.842 -1.070 -21.589 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.220 0.324 -20.728 1.00 0.00 H new ATOM 895 N THR A 57 7.312 -1.325 -17.033 1.00 0.00 N ATOM 896 CA THR A 57 8.099 -1.736 -15.841 1.00 0.00 C ATOM 897 C THR A 57 7.202 -2.095 -14.658 1.00 0.00 C ATOM 898 O THR A 57 7.686 -2.414 -13.589 1.00 0.00 O ATOM 899 CB THR A 57 8.988 -0.562 -15.442 1.00 0.00 C ATOM 900 OG1 THR A 57 8.094 0.456 -15.043 1.00 0.00 O ATOM 901 CG2 THR A 57 9.710 0.019 -16.668 1.00 0.00 C ATOM 0 H THR A 57 7.214 -0.319 -17.167 1.00 0.00 H new ATOM 0 HA THR A 57 8.682 -2.621 -16.096 1.00 0.00 H new ATOM 0 HB THR A 57 9.710 -0.881 -14.690 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.493 1.332 -15.227 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.338 0.855 -16.358 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.331 -0.752 -17.124 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.974 0.367 -17.393 1.00 0.00 H new ATOM 909 N GLY A 58 5.917 -2.042 -14.863 1.00 0.00 N ATOM 910 CA GLY A 58 4.990 -2.381 -13.745 1.00 0.00 C ATOM 911 C GLY A 58 5.209 -1.433 -12.565 1.00 0.00 C ATOM 912 O GLY A 58 4.884 -1.753 -11.433 1.00 0.00 O ATOM 0 H GLY A 58 5.471 -1.783 -15.743 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.957 -2.313 -14.087 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.154 -3.411 -13.428 1.00 0.00 H new ATOM 916 N TRP A 59 5.765 -0.287 -12.853 1.00 0.00 N ATOM 917 CA TRP A 59 6.017 0.699 -11.773 1.00 0.00 C ATOM 918 C TRP A 59 4.718 1.385 -11.350 1.00 0.00 C ATOM 919 O TRP A 59 4.131 2.125 -12.115 1.00 0.00 O ATOM 920 CB TRP A 59 6.993 1.764 -12.315 1.00 0.00 C ATOM 921 CG TRP A 59 8.380 1.549 -11.696 1.00 0.00 C ATOM 922 CD1 TRP A 59 9.454 1.163 -12.370 1.00 0.00 C ATOM 923 CD2 TRP A 59 8.653 1.710 -10.432 1.00 0.00 C ATOM 924 NE1 TRP A 59 10.413 1.095 -11.427 1.00 0.00 N ATOM 925 CE2 TRP A 59 9.978 1.430 -10.158 1.00 0.00 C ATOM 926 CE3 TRP A 59 7.811 2.116 -9.426 1.00 0.00 C ATOM 927 CZ2 TRP A 59 10.454 1.558 -8.869 1.00 0.00 C ATOM 928 CZ3 TRP A 59 8.288 2.245 -8.142 1.00 0.00 C ATOM 929 CH2 TRP A 59 9.607 1.965 -7.861 1.00 0.00 C ATOM 0 H TRP A 59 6.053 0.005 -13.787 1.00 0.00 H new ATOM 0 HA TRP A 59 6.435 0.187 -10.907 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.054 1.698 -13.401 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.627 2.763 -12.076 1.00 0.00 H new ATOM 0 HD1 TRP A 59 9.540 0.953 -13.426 1.00 0.00 H new ATOM 0 HE1 TRP A 59 11.374 0.821 -11.631 1.00 0.00 H new ATOM 0 HE3 TRP A 59 6.776 2.334 -9.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 11.489 1.340 -8.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 7.626 2.567 -7.352 1.00 0.00 H new ATOM 0 HH2 TRP A 59 9.977 2.064 -6.851 1.00 0.00 H new ATOM 940 N LEU A 60 4.290 1.127 -10.135 1.00 0.00 N ATOM 941 CA LEU A 60 3.030 1.764 -9.661 1.00 0.00 C ATOM 942 C LEU A 60 3.287 3.197 -9.230 1.00 0.00 C ATOM 943 O LEU A 60 4.034 3.449 -8.290 1.00 0.00 O ATOM 944 CB LEU A 60 2.482 0.969 -8.459 1.00 0.00 C ATOM 945 CG LEU A 60 0.945 1.058 -8.456 1.00 0.00 C ATOM 946 CD1 LEU A 60 0.400 0.509 -7.133 1.00 0.00 C ATOM 947 CD2 LEU A 60 0.518 2.520 -8.598 1.00 0.00 C ATOM 0 H LEU A 60 4.753 0.513 -9.465 1.00 0.00 H new ATOM 0 HA LEU A 60 2.307 1.763 -10.477 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.798 -0.072 -8.521 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.884 1.370 -7.528 1.00 0.00 H new ATOM 0 HG LEU A 60 0.551 0.474 -9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.688 0.573 -7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.702 -0.532 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.798 1.095 -6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.570 2.583 -8.596 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.917 3.098 -7.764 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.903 2.922 -9.535 1.00 0.00 H new ATOM 959 N LYS A 61 2.654 4.110 -9.933 1.00 0.00 N ATOM 960 CA LYS A 61 2.817 5.553 -9.620 1.00 0.00 C ATOM 961 C LYS A 61 1.478 6.174 -9.257 1.00 0.00 C ATOM 962 O LYS A 61 0.440 5.627 -9.567 1.00 0.00 O ATOM 963 CB LYS A 61 3.351 6.275 -10.877 1.00 0.00 C ATOM 964 CG LYS A 61 4.471 5.449 -11.530 1.00 0.00 C ATOM 965 CD LYS A 61 4.470 5.723 -13.042 1.00 0.00 C ATOM 966 CE LYS A 61 5.908 5.691 -13.580 1.00 0.00 C ATOM 967 NZ LYS A 61 6.003 6.463 -14.849 1.00 0.00 N ATOM 0 H LYS A 61 2.029 3.908 -10.714 1.00 0.00 H new ATOM 0 HA LYS A 61 3.506 5.655 -8.781 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.540 6.428 -11.589 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.728 7.261 -10.606 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.436 5.714 -11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.318 4.387 -11.339 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.864 4.977 -13.555 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.018 6.694 -13.244 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.590 6.110 -12.840 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.217 4.660 -13.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.964 6.377 -15.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.318 6.088 -15.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.794 7.465 -14.663 1.00 0.00 H new ATOM 981 N VAL A 62 1.533 7.307 -8.602 1.00 0.00 N ATOM 982 CA VAL A 62 0.268 7.996 -8.201 1.00 0.00 C ATOM 983 C VAL A 62 0.203 9.400 -8.772 1.00 0.00 C ATOM 984 O VAL A 62 1.192 10.102 -8.821 1.00 0.00 O ATOM 985 CB VAL A 62 0.222 8.108 -6.670 1.00 0.00 C ATOM 986 CG1 VAL A 62 -0.292 6.800 -6.092 1.00 0.00 C ATOM 987 CG2 VAL A 62 1.628 8.387 -6.132 1.00 0.00 C ATOM 0 H VAL A 62 2.393 7.782 -8.329 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.570 7.413 -8.583 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.441 8.924 -6.382 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.328 6.872 -5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.293 6.601 -6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.375 5.988 -6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.593 8.466 -5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.294 7.572 -6.415 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.999 9.322 -6.552 1.00 0.00 H new ATOM 997 N THR A 63 -0.968 9.782 -9.193 1.00 0.00 N ATOM 998 CA THR A 63 -1.129 11.132 -9.762 1.00 0.00 C ATOM 999 C THR A 63 -1.468 12.112 -8.658 1.00 0.00 C ATOM 1000 O THR A 63 -1.195 13.292 -8.764 1.00 0.00 O ATOM 1001 CB THR A 63 -2.281 11.102 -10.769 1.00 0.00 C ATOM 1002 OG1 THR A 63 -3.085 10.005 -10.386 1.00 0.00 O ATOM 1003 CG2 THR A 63 -1.769 10.735 -12.163 1.00 0.00 C ATOM 0 H THR A 63 -1.815 9.214 -9.165 1.00 0.00 H new ATOM 0 HA THR A 63 -0.204 11.440 -10.249 1.00 0.00 H new ATOM 0 HB THR A 63 -2.784 12.069 -10.786 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.849 9.930 -10.996 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.603 10.719 -12.864 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.036 11.474 -12.488 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.302 9.750 -12.132 1.00 0.00 H new ATOM 1011 N GLN A 64 -2.065 11.597 -7.607 1.00 0.00 N ATOM 1012 CA GLN A 64 -2.437 12.476 -6.467 1.00 0.00 C ATOM 1013 C GLN A 64 -2.139 11.779 -5.125 1.00 0.00 C ATOM 1014 O GLN A 64 -2.291 10.580 -5.006 1.00 0.00 O ATOM 1015 CB GLN A 64 -3.946 12.752 -6.551 1.00 0.00 C ATOM 1016 CG GLN A 64 -4.217 13.713 -7.709 1.00 0.00 C ATOM 1017 CD GLN A 64 -5.728 13.849 -7.904 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -6.483 12.798 -7.743 1.00 0.00 O flip ATOM 1019 NE2 GLN A 64 -6.233 14.913 -8.203 1.00 0.00 N flip ATOM 0 H GLN A 64 -2.306 10.612 -7.496 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.861 13.400 -6.520 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.491 11.820 -6.701 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.302 13.182 -5.615 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.776 14.688 -7.500 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.752 13.342 -8.622 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.647 15.738 -8.330 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.243 14.981 -8.327 1.00 0.00 H new ATOM 1028 N PRO A 65 -1.717 12.553 -4.129 1.00 0.00 N ATOM 1029 CA PRO A 65 -1.407 11.994 -2.814 1.00 0.00 C ATOM 1030 C PRO A 65 -2.662 11.429 -2.167 1.00 0.00 C ATOM 1031 O PRO A 65 -3.758 11.676 -2.631 1.00 0.00 O ATOM 1032 CB PRO A 65 -0.901 13.192 -1.982 1.00 0.00 C ATOM 1033 CG PRO A 65 -1.114 14.472 -2.844 1.00 0.00 C ATOM 1034 CD PRO A 65 -1.536 14.009 -4.248 1.00 0.00 C ATOM 0 HA PRO A 65 -0.678 11.186 -2.881 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.447 13.266 -1.042 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.152 13.068 -1.730 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.880 15.110 -2.403 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.198 15.060 -2.892 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.458 14.497 -4.564 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.775 14.253 -4.990 1.00 0.00 H new ATOM 1042 N LEU A 66 -2.495 10.679 -1.106 1.00 0.00 N ATOM 1043 CA LEU A 66 -3.695 10.108 -0.443 1.00 0.00 C ATOM 1044 C LEU A 66 -4.221 11.060 0.614 1.00 0.00 C ATOM 1045 O LEU A 66 -3.540 11.991 1.004 1.00 0.00 O ATOM 1046 CB LEU A 66 -3.311 8.779 0.229 1.00 0.00 C ATOM 1047 CG LEU A 66 -2.703 7.814 -0.806 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -3.032 6.378 -0.395 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -3.295 8.075 -2.197 1.00 0.00 C ATOM 0 H LEU A 66 -1.598 10.444 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.470 9.947 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.595 8.962 1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.191 8.326 0.685 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.625 7.968 -0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.606 5.685 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.611 6.176 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.114 6.248 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.854 7.384 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.374 7.927 -2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.078 9.100 -2.498 1.00 0.00 H new ATOM 1061 N ASP A 67 -5.427 10.816 1.059 1.00 0.00 N ATOM 1062 CA ASP A 67 -6.016 11.704 2.098 1.00 0.00 C ATOM 1063 C ASP A 67 -6.793 10.903 3.130 1.00 0.00 C ATOM 1064 O ASP A 67 -7.895 10.459 2.878 1.00 0.00 O ATOM 1065 CB ASP A 67 -6.978 12.680 1.403 1.00 0.00 C ATOM 1066 CG ASP A 67 -7.692 13.528 2.457 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -7.251 13.466 3.593 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -8.640 14.190 2.066 1.00 0.00 O ATOM 0 H ASP A 67 -6.022 10.047 0.750 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.212 12.234 2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.428 13.322 0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.707 12.128 0.809 1.00 0.00 H new ATOM 1073 N ARG A 68 -6.204 10.736 4.280 1.00 0.00 N ATOM 1074 CA ARG A 68 -6.887 9.969 5.345 1.00 0.00 C ATOM 1075 C ARG A 68 -8.232 10.593 5.679 1.00 0.00 C ATOM 1076 O ARG A 68 -9.144 9.916 6.110 1.00 0.00 O ATOM 1077 CB ARG A 68 -6.006 10.005 6.601 1.00 0.00 C ATOM 1078 CG ARG A 68 -6.096 8.659 7.316 1.00 0.00 C ATOM 1079 CD ARG A 68 -5.709 8.846 8.785 1.00 0.00 C ATOM 1080 NE ARG A 68 -6.889 9.362 9.537 1.00 0.00 N ATOM 1081 CZ ARG A 68 -7.007 9.092 10.809 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -6.382 9.843 11.675 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -7.748 8.080 11.174 1.00 0.00 N ATOM 0 H ARG A 68 -5.282 11.098 4.524 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.049 8.947 5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.972 10.217 6.329 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.331 10.806 7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.108 8.260 7.241 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.433 7.936 6.841 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.377 7.899 9.210 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.875 9.543 8.869 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.598 9.921 9.062 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.813 10.626 11.354 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.463 9.647 12.673 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.223 7.515 10.470 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.852 7.854 12.163 1.00 0.00 H new ATOM 1097 N GLU A 69 -8.331 11.877 5.475 1.00 0.00 N ATOM 1098 CA GLU A 69 -9.610 12.564 5.775 1.00 0.00 C ATOM 1099 C GLU A 69 -10.707 12.095 4.830 1.00 0.00 C ATOM 1100 O GLU A 69 -11.878 12.187 5.142 1.00 0.00 O ATOM 1101 CB GLU A 69 -9.401 14.074 5.592 1.00 0.00 C ATOM 1102 CG GLU A 69 -8.274 14.541 6.518 1.00 0.00 C ATOM 1103 CD GLU A 69 -8.353 16.059 6.689 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -7.821 16.731 5.820 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -8.941 16.462 7.680 1.00 0.00 O ATOM 0 H GLU A 69 -7.586 12.474 5.116 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.912 12.334 6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.151 14.296 4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.322 14.611 5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.358 14.050 7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.306 14.261 6.101 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.302 11.598 3.687 1.00 0.00 N ATOM 1113 CA ALA A 70 -11.299 11.112 2.695 1.00 0.00 C ATOM 1114 C ALA A 70 -11.324 9.591 2.663 1.00 0.00 C ATOM 1115 O ALA A 70 -12.351 8.980 2.880 1.00 0.00 O ATOM 1116 CB ALA A 70 -10.884 11.625 1.307 1.00 0.00 C ATOM 0 H ALA A 70 -9.326 11.510 3.403 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.289 11.476 2.971 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.602 11.281 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.863 12.715 1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.893 11.244 1.060 1.00 0.00 H new ATOM 1122 N ILE A 71 -10.186 9.010 2.393 1.00 0.00 N ATOM 1123 CA ILE A 71 -10.105 7.530 2.339 1.00 0.00 C ATOM 1124 C ILE A 71 -8.819 7.047 2.990 1.00 0.00 C ATOM 1125 O ILE A 71 -7.760 7.576 2.728 1.00 0.00 O ATOM 1126 CB ILE A 71 -10.109 7.103 0.875 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -11.491 7.326 0.280 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -9.776 5.605 0.802 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -11.450 7.019 -1.219 1.00 0.00 C ATOM 0 H ILE A 71 -9.311 9.500 2.208 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.953 7.100 2.872 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.375 7.687 0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.221 6.685 0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.809 8.356 0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.775 5.283 -0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.792 5.429 1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.524 5.038 1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.439 7.177 -1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.732 7.679 -1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.150 5.982 -1.370 1.00 0.00 H new ATOM 1141 N ALA A 72 -8.938 6.049 3.830 1.00 0.00 N ATOM 1142 CA ALA A 72 -7.730 5.512 4.515 1.00 0.00 C ATOM 1143 C ALA A 72 -7.267 4.204 3.884 1.00 0.00 C ATOM 1144 O ALA A 72 -6.297 3.616 4.323 1.00 0.00 O ATOM 1145 CB ALA A 72 -8.092 5.239 5.983 1.00 0.00 C ATOM 0 H ALA A 72 -9.816 5.587 4.068 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.926 6.243 4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.221 4.844 6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.410 6.167 6.458 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.903 4.512 6.029 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.962 3.763 2.873 1.00 0.00 N ATOM 1152 CA LYS A 73 -7.555 2.492 2.220 1.00 0.00 C ATOM 1153 C LYS A 73 -8.150 2.377 0.813 1.00 0.00 C ATOM 1154 O LYS A 73 -9.328 2.611 0.614 1.00 0.00 O ATOM 1155 CB LYS A 73 -8.065 1.333 3.102 1.00 0.00 C ATOM 1156 CG LYS A 73 -8.108 0.029 2.295 1.00 0.00 C ATOM 1157 CD LYS A 73 -9.558 -0.274 1.909 1.00 0.00 C ATOM 1158 CE LYS A 73 -10.248 -0.984 3.077 1.00 0.00 C ATOM 1159 NZ LYS A 73 -11.660 -0.525 3.206 1.00 0.00 N ATOM 0 H LYS A 73 -8.782 4.221 2.476 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.470 2.460 2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.414 1.212 3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.060 1.567 3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.492 0.120 1.400 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.696 -0.791 2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.084 0.650 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.587 -0.901 1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.223 -2.062 2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.708 -0.783 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.113 -1.016 4.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.677 0.501 3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.176 -0.739 2.329 1.00 0.00 H new ATOM 1173 N TYR A 74 -7.308 2.017 -0.136 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.780 1.874 -1.548 1.00 0.00 C ATOM 1175 C TYR A 74 -7.566 0.445 -2.058 1.00 0.00 C ATOM 1176 O TYR A 74 -6.485 -0.103 -1.935 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.949 2.823 -2.435 1.00 0.00 C ATOM 1178 CG TYR A 74 -7.034 4.258 -1.900 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.466 4.593 -0.689 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.662 5.242 -2.637 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -6.523 5.893 -0.223 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -7.719 6.543 -2.171 1.00 0.00 C ATOM 1183 CZ TYR A 74 -7.147 6.877 -0.959 1.00 0.00 C ATOM 1184 OH TYR A 74 -7.186 8.184 -0.494 1.00 0.00 O ATOM 0 H TYR A 74 -6.319 1.818 0.011 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.843 2.111 -1.587 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.909 2.496 -2.456 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.315 2.787 -3.461 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.973 3.834 -0.100 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.113 4.994 -3.586 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.074 6.140 0.728 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.214 7.302 -2.758 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.664 8.746 -1.139 1.00 0.00 H new ATOM 1194 N ILE A 75 -8.606 -0.131 -2.622 1.00 0.00 N ATOM 1195 CA ILE A 75 -8.487 -1.524 -3.152 1.00 0.00 C ATOM 1196 C ILE A 75 -8.334 -1.487 -4.663 1.00 0.00 C ATOM 1197 O ILE A 75 -9.293 -1.271 -5.379 1.00 0.00 O ATOM 1198 CB ILE A 75 -9.763 -2.293 -2.807 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -10.087 -2.122 -1.334 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -9.524 -3.789 -3.086 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -11.444 -2.763 -1.042 1.00 0.00 C ATOM 0 H ILE A 75 -9.523 0.302 -2.736 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.617 -2.009 -2.709 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.590 -1.914 -3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.313 -2.586 -0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.107 -1.064 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.425 -4.353 -2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.280 -3.928 -4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.698 -4.146 -2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.683 -2.644 0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.212 -2.279 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.406 -3.824 -1.288 1.00 0.00 H new ATOM 1213 N LEU A 76 -7.130 -1.710 -5.123 1.00 0.00 N ATOM 1214 CA LEU A 76 -6.890 -1.691 -6.593 1.00 0.00 C ATOM 1215 C LEU A 76 -6.792 -3.096 -7.174 1.00 0.00 C ATOM 1216 O LEU A 76 -6.498 -4.041 -6.473 1.00 0.00 O ATOM 1217 CB LEU A 76 -5.553 -0.975 -6.840 1.00 0.00 C ATOM 1218 CG LEU A 76 -5.779 0.539 -6.845 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -6.720 0.906 -7.999 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -6.417 0.959 -5.518 1.00 0.00 C ATOM 0 H LEU A 76 -6.310 -1.903 -4.548 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.726 -1.184 -7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.835 -1.244 -6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.128 -1.293 -7.792 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.826 1.052 -6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.884 1.984 -8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.272 0.601 -8.945 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.674 0.395 -7.867 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.580 2.037 -5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.372 0.448 -5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.754 0.692 -4.695 1.00 0.00 H new ATOM 1232 N TYR A 77 -7.060 -3.196 -8.458 1.00 0.00 N ATOM 1233 CA TYR A 77 -6.995 -4.518 -9.141 1.00 0.00 C ATOM 1234 C TYR A 77 -5.976 -4.437 -10.265 1.00 0.00 C ATOM 1235 O TYR A 77 -5.810 -3.388 -10.862 1.00 0.00 O ATOM 1236 CB TYR A 77 -8.375 -4.837 -9.735 1.00 0.00 C ATOM 1237 CG TYR A 77 -9.288 -5.366 -8.628 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -9.853 -4.501 -7.714 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -9.560 -6.715 -8.529 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -10.678 -4.977 -6.716 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -10.386 -7.191 -7.531 1.00 0.00 C ATOM 1242 CZ TYR A 77 -10.951 -6.326 -6.617 1.00 0.00 C ATOM 1243 OH TYR A 77 -11.777 -6.803 -5.619 1.00 0.00 O ATOM 0 H TYR A 77 -7.321 -2.413 -9.058 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.707 -5.295 -8.433 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.807 -3.942 -10.183 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.280 -5.577 -10.530 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.648 -3.443 -7.780 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.123 -7.403 -9.237 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.113 -4.289 -6.007 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.592 -8.249 -7.465 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.860 -7.776 -5.700 1.00 0.00 H new ATOM 1253 N SER A 78 -5.303 -5.534 -10.545 1.00 0.00 N ATOM 1254 CA SER A 78 -4.291 -5.494 -11.642 1.00 0.00 C ATOM 1255 C SER A 78 -4.299 -6.752 -12.510 1.00 0.00 C ATOM 1256 O SER A 78 -4.769 -7.807 -12.107 1.00 0.00 O ATOM 1257 CB SER A 78 -2.900 -5.358 -11.001 1.00 0.00 C ATOM 1258 OG SER A 78 -2.581 -6.673 -10.575 1.00 0.00 O ATOM 0 H SER A 78 -5.410 -6.431 -10.072 1.00 0.00 H new ATOM 0 HA SER A 78 -4.536 -4.651 -12.288 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.168 -4.983 -11.716 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.914 -4.661 -10.163 1.00 0.00 H new ATOM 0 HG SER A 78 -1.697 -6.674 -10.152 1.00 0.00 H new ATOM 1264 N HIS A 79 -3.761 -6.591 -13.699 1.00 0.00 N ATOM 1265 CA HIS A 79 -3.688 -7.716 -14.665 1.00 0.00 C ATOM 1266 C HIS A 79 -2.283 -7.765 -15.281 1.00 0.00 C ATOM 1267 O HIS A 79 -1.637 -6.742 -15.400 1.00 0.00 O ATOM 1268 CB HIS A 79 -4.713 -7.458 -15.782 1.00 0.00 C ATOM 1269 CG HIS A 79 -5.951 -6.782 -15.186 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -7.045 -7.349 -14.983 1.00 0.00 N ATOM 1271 CD2 HIS A 79 -6.130 -5.476 -14.771 1.00 0.00 C ATOM 1272 CE1 HIS A 79 -7.896 -6.552 -14.486 1.00 0.00 C ATOM 1273 NE2 HIS A 79 -7.403 -5.326 -14.311 1.00 0.00 N ATOM 0 H HIS A 79 -3.367 -5.713 -14.037 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.899 -8.659 -14.161 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.275 -6.825 -16.554 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.992 -8.397 -16.260 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.230 -8.330 -15.191 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.381 -4.699 -14.806 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.907 -6.835 -14.233 1.00 0.00 H new ATOM 1281 N ALA A 80 -1.838 -8.946 -15.661 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.465 -9.063 -16.270 1.00 0.00 C ATOM 1283 C ALA A 80 -0.485 -9.635 -17.696 1.00 0.00 C ATOM 1284 O ALA A 80 -1.305 -10.467 -18.043 1.00 0.00 O ATOM 1285 CB ALA A 80 0.373 -10.006 -15.389 1.00 0.00 C ATOM 0 H ALA A 80 -2.356 -9.821 -15.578 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.045 -8.059 -16.324 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.373 -10.106 -15.811 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.444 -9.596 -14.382 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.103 -10.986 -15.349 1.00 0.00 H new ATOM 1291 N VAL A 81 0.444 -9.165 -18.491 1.00 0.00 N ATOM 1292 CA VAL A 81 0.549 -9.631 -19.902 1.00 0.00 C ATOM 1293 C VAL A 81 2.026 -9.779 -20.266 1.00 0.00 C ATOM 1294 O VAL A 81 2.844 -9.093 -19.724 1.00 0.00 O ATOM 1295 CB VAL A 81 -0.090 -8.565 -20.820 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -1.159 -9.216 -21.696 1.00 0.00 C ATOM 1297 CG2 VAL A 81 -0.741 -7.482 -19.957 1.00 0.00 C ATOM 0 H VAL A 81 1.140 -8.471 -18.217 1.00 0.00 H new ATOM 0 HA VAL A 81 0.040 -10.587 -20.023 1.00 0.00 H new ATOM 0 HB VAL A 81 0.680 -8.123 -21.453 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.608 -8.462 -22.343 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.703 -9.994 -22.308 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.929 -9.657 -21.063 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.193 -6.727 -20.600 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.510 -7.931 -19.328 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.016 -7.015 -19.327 1.00 0.00 H new ATOM 1307 N SER A 82 2.352 -10.678 -21.158 1.00 0.00 N ATOM 1308 CA SER A 82 3.797 -10.828 -21.520 1.00 0.00 C ATOM 1309 C SER A 82 4.182 -9.863 -22.631 1.00 0.00 C ATOM 1310 O SER A 82 3.523 -9.788 -23.649 1.00 0.00 O ATOM 1311 CB SER A 82 4.059 -12.254 -22.015 1.00 0.00 C ATOM 1312 OG SER A 82 3.164 -12.409 -23.100 1.00 0.00 O ATOM 0 H SER A 82 1.703 -11.300 -21.641 1.00 0.00 H new ATOM 0 HA SER A 82 4.390 -10.613 -20.631 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.094 -12.383 -22.330 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.870 -12.989 -21.233 1.00 0.00 H new ATOM 0 HG SER A 82 2.289 -12.693 -22.764 1.00 0.00 H new ATOM 1318 N SER A 83 5.248 -9.145 -22.420 1.00 0.00 N ATOM 1319 CA SER A 83 5.693 -8.181 -23.450 1.00 0.00 C ATOM 1320 C SER A 83 5.908 -8.872 -24.796 1.00 0.00 C ATOM 1321 O SER A 83 6.321 -8.247 -25.753 1.00 0.00 O ATOM 1322 CB SER A 83 7.027 -7.568 -22.991 1.00 0.00 C ATOM 1323 OG SER A 83 7.130 -6.361 -23.733 1.00 0.00 O ATOM 0 H SER A 83 5.826 -9.187 -21.580 1.00 0.00 H new ATOM 0 HA SER A 83 4.926 -7.416 -23.574 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.029 -7.377 -21.918 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.864 -8.235 -23.198 1.00 0.00 H new ATOM 0 HG SER A 83 7.468 -5.648 -23.152 1.00 0.00 H new ATOM 1329 N ASN A 84 5.622 -10.152 -24.850 1.00 0.00 N ATOM 1330 CA ASN A 84 5.810 -10.886 -26.134 1.00 0.00 C ATOM 1331 C ASN A 84 4.516 -10.928 -26.939 1.00 0.00 C ATOM 1332 O ASN A 84 4.545 -11.074 -28.146 1.00 0.00 O ATOM 1333 CB ASN A 84 6.254 -12.329 -25.823 1.00 0.00 C ATOM 1334 CG ASN A 84 5.112 -13.094 -25.140 1.00 0.00 C ATOM 1335 OD1 ASN A 84 3.980 -13.075 -25.583 1.00 0.00 O ATOM 1336 ND2 ASN A 84 5.372 -13.786 -24.066 1.00 0.00 N ATOM 0 H ASN A 84 5.272 -10.710 -24.071 1.00 0.00 H new ATOM 0 HA ASN A 84 6.566 -10.367 -26.723 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.543 -12.836 -26.744 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.132 -12.317 -25.177 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.628 -14.307 -23.603 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.320 -13.806 -23.689 1.00 0.00 H new ATOM 1343 N GLY A 85 3.402 -10.805 -26.253 1.00 0.00 N ATOM 1344 CA GLY A 85 2.081 -10.836 -26.961 1.00 0.00 C ATOM 1345 C GLY A 85 1.178 -11.937 -26.388 1.00 0.00 C ATOM 1346 O GLY A 85 0.141 -12.233 -26.946 1.00 0.00 O ATOM 0 H GLY A 85 3.351 -10.685 -25.241 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.589 -9.869 -26.863 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.239 -11.007 -28.026 1.00 0.00 H new ATOM 1350 N GLU A 86 1.599 -12.518 -25.287 1.00 0.00 N ATOM 1351 CA GLU A 86 0.782 -13.601 -24.658 1.00 0.00 C ATOM 1352 C GLU A 86 0.161 -13.119 -23.353 1.00 0.00 C ATOM 1353 O GLU A 86 0.843 -12.621 -22.484 1.00 0.00 O ATOM 1354 CB GLU A 86 1.706 -14.791 -24.356 1.00 0.00 C ATOM 1355 CG GLU A 86 2.083 -15.477 -25.669 1.00 0.00 C ATOM 1356 CD GLU A 86 3.176 -16.512 -25.403 1.00 0.00 C ATOM 1357 OE1 GLU A 86 2.853 -17.476 -24.730 1.00 0.00 O ATOM 1358 OE2 GLU A 86 4.272 -16.279 -25.885 1.00 0.00 O ATOM 0 H GLU A 86 2.467 -12.289 -24.802 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.017 -13.888 -25.341 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.603 -14.449 -23.839 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.206 -15.497 -23.693 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.208 -15.959 -26.105 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.433 -14.739 -26.391 1.00 0.00 H new ATOM 1365 N ALA A 87 -1.126 -13.280 -23.237 1.00 0.00 N ATOM 1366 CA ALA A 87 -1.804 -12.834 -21.997 1.00 0.00 C ATOM 1367 C ALA A 87 -1.429 -13.712 -20.808 1.00 0.00 C ATOM 1368 O ALA A 87 -1.543 -14.922 -20.864 1.00 0.00 O ATOM 1369 CB ALA A 87 -3.319 -12.922 -22.215 1.00 0.00 C ATOM 0 H ALA A 87 -1.732 -13.698 -23.943 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.493 -11.812 -21.779 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.836 -12.597 -21.312 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.605 -12.279 -23.048 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.595 -13.952 -22.441 1.00 0.00 H new ATOM 1375 N VAL A 88 -0.993 -13.076 -19.748 1.00 0.00 N ATOM 1376 CA VAL A 88 -0.601 -13.833 -18.531 1.00 0.00 C ATOM 1377 C VAL A 88 -1.173 -13.143 -17.308 1.00 0.00 C ATOM 1378 O VAL A 88 -0.592 -13.163 -16.242 1.00 0.00 O ATOM 1379 CB VAL A 88 0.942 -13.836 -18.423 1.00 0.00 C ATOM 1380 CG1 VAL A 88 1.553 -14.070 -19.805 1.00 0.00 C ATOM 1381 CG2 VAL A 88 1.421 -12.484 -17.895 1.00 0.00 C ATOM 0 H VAL A 88 -0.894 -12.063 -19.678 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.979 -14.854 -18.592 1.00 0.00 H new ATOM 0 HB VAL A 88 1.250 -14.630 -17.743 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.640 -14.072 -19.727 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.216 -15.031 -20.194 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.239 -13.275 -20.481 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.508 -12.487 -17.819 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.107 -11.695 -18.578 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.989 -12.304 -16.910 1.00 0.00 H new ATOM 1391 N GLU A 89 -2.320 -12.551 -17.486 1.00 0.00 N ATOM 1392 CA GLU A 89 -2.962 -11.847 -16.358 1.00 0.00 C ATOM 1393 C GLU A 89 -3.668 -12.785 -15.400 1.00 0.00 C ATOM 1394 O GLU A 89 -3.958 -13.923 -15.714 1.00 0.00 O ATOM 1395 CB GLU A 89 -4.011 -10.882 -16.929 1.00 0.00 C ATOM 1396 CG GLU A 89 -4.848 -11.615 -17.980 1.00 0.00 C ATOM 1397 CD GLU A 89 -5.993 -10.709 -18.434 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -6.259 -9.767 -17.706 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -6.538 -11.011 -19.483 1.00 0.00 O ATOM 0 H GLU A 89 -2.836 -12.528 -18.366 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.176 -11.333 -15.804 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.653 -10.509 -16.131 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.522 -10.016 -17.375 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.225 -11.888 -18.832 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.245 -12.541 -17.565 1.00 0.00 H new ATOM 1406 N ASP A 90 -3.923 -12.266 -14.236 1.00 0.00 N ATOM 1407 CA ASP A 90 -4.606 -13.050 -13.197 1.00 0.00 C ATOM 1408 C ASP A 90 -5.291 -12.081 -12.228 1.00 0.00 C ATOM 1409 O ASP A 90 -4.799 -10.996 -11.993 1.00 0.00 O ATOM 1410 CB ASP A 90 -3.558 -13.874 -12.430 1.00 0.00 C ATOM 1411 CG ASP A 90 -3.185 -15.107 -13.255 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -3.938 -16.062 -13.170 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -2.169 -15.023 -13.925 1.00 0.00 O ATOM 0 H ASP A 90 -3.679 -11.314 -13.964 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.344 -13.715 -13.645 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.672 -13.269 -12.238 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.954 -14.177 -11.461 1.00 0.00 H new ATOM 1418 N PRO A 91 -6.417 -12.479 -11.686 1.00 0.00 N ATOM 1419 CA PRO A 91 -7.142 -11.627 -10.753 1.00 0.00 C ATOM 1420 C PRO A 91 -6.276 -11.255 -9.543 1.00 0.00 C ATOM 1421 O PRO A 91 -6.204 -11.995 -8.580 1.00 0.00 O ATOM 1422 CB PRO A 91 -8.357 -12.478 -10.302 1.00 0.00 C ATOM 1423 CG PRO A 91 -8.223 -13.872 -10.989 1.00 0.00 C ATOM 1424 CD PRO A 91 -7.024 -13.792 -11.948 1.00 0.00 C ATOM 0 HA PRO A 91 -7.436 -10.686 -11.217 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -8.372 -12.583 -9.217 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.292 -11.996 -10.588 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -8.070 -14.654 -10.246 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.134 -14.123 -11.532 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.315 -14.599 -11.762 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.342 -13.880 -12.987 1.00 0.00 H new ATOM 1432 N MET A 92 -5.623 -10.108 -9.625 1.00 0.00 N ATOM 1433 CA MET A 92 -4.755 -9.664 -8.492 1.00 0.00 C ATOM 1434 C MET A 92 -5.334 -8.422 -7.829 1.00 0.00 C ATOM 1435 O MET A 92 -5.461 -7.388 -8.455 1.00 0.00 O ATOM 1436 CB MET A 92 -3.361 -9.320 -9.046 1.00 0.00 C ATOM 1437 CG MET A 92 -2.656 -10.607 -9.482 1.00 0.00 C ATOM 1438 SD MET A 92 -2.882 -12.073 -8.443 1.00 0.00 S ATOM 1439 CE MET A 92 -1.227 -12.770 -8.667 1.00 0.00 C ATOM 0 H MET A 92 -5.658 -9.472 -10.422 1.00 0.00 H new ATOM 0 HA MET A 92 -4.695 -10.465 -7.755 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.452 -8.638 -9.891 1.00 0.00 H new ATOM 0 HB3 MET A 92 -2.771 -8.809 -8.285 1.00 0.00 H new ATOM 0 HG2 MET A 92 -2.994 -10.852 -10.489 1.00 0.00 H new ATOM 0 HG3 MET A 92 -1.588 -10.401 -9.546 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.143 -13.698 -8.102 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.058 -12.973 -9.724 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.482 -12.059 -8.310 1.00 0.00 H new ATOM 1449 N GLU A 93 -5.674 -8.548 -6.568 1.00 0.00 N ATOM 1450 CA GLU A 93 -6.249 -7.386 -5.835 1.00 0.00 C ATOM 1451 C GLU A 93 -5.219 -6.771 -4.898 1.00 0.00 C ATOM 1452 O GLU A 93 -4.845 -7.362 -3.903 1.00 0.00 O ATOM 1453 CB GLU A 93 -7.444 -7.881 -5.006 1.00 0.00 C ATOM 1454 CG GLU A 93 -7.738 -9.337 -5.368 1.00 0.00 C ATOM 1455 CD GLU A 93 -6.663 -10.234 -4.751 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -6.438 -10.070 -3.563 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -6.126 -11.030 -5.504 1.00 0.00 O ATOM 0 H GLU A 93 -5.577 -9.403 -6.021 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.558 -6.628 -6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.224 -7.796 -3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.319 -7.261 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.723 -9.624 -5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.753 -9.459 -6.451 1.00 0.00 H new ATOM 1464 N ILE A 94 -4.781 -5.591 -5.233 1.00 0.00 N ATOM 1465 CA ILE A 94 -3.776 -4.911 -4.383 1.00 0.00 C ATOM 1466 C ILE A 94 -4.447 -4.045 -3.317 1.00 0.00 C ATOM 1467 O ILE A 94 -5.343 -3.273 -3.613 1.00 0.00 O ATOM 1468 CB ILE A 94 -2.934 -4.011 -5.282 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -1.893 -4.841 -5.999 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -2.214 -2.967 -4.413 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.371 -4.055 -7.199 1.00 0.00 C ATOM 0 H ILE A 94 -5.077 -5.071 -6.059 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.167 -5.663 -3.881 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.580 -3.520 -6.009 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.074 -5.084 -5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.326 -5.786 -6.327 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.610 -2.319 -5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.951 -2.367 -3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.570 -3.474 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.619 -4.646 -7.722 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.196 -3.835 -7.877 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.924 -3.122 -6.856 1.00 0.00 H new ATOM 1483 N VAL A 95 -3.989 -4.192 -2.095 1.00 0.00 N ATOM 1484 CA VAL A 95 -4.574 -3.394 -0.981 1.00 0.00 C ATOM 1485 C VAL A 95 -3.612 -2.291 -0.552 1.00 0.00 C ATOM 1486 O VAL A 95 -2.550 -2.569 -0.034 1.00 0.00 O ATOM 1487 CB VAL A 95 -4.804 -4.332 0.213 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -5.420 -3.537 1.364 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -5.765 -5.450 -0.201 1.00 0.00 C ATOM 0 H VAL A 95 -3.238 -4.828 -1.827 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.508 -2.941 -1.314 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.855 -4.764 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.586 -4.198 2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.743 -2.734 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.371 -3.112 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.931 -6.118 0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.715 -5.016 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.334 -6.012 -1.029 1.00 0.00 H new ATOM 1499 N ILE A 96 -4.008 -1.059 -0.772 1.00 0.00 N ATOM 1500 CA ILE A 96 -3.128 0.082 -0.384 1.00 0.00 C ATOM 1501 C ILE A 96 -3.684 0.823 0.826 1.00 0.00 C ATOM 1502 O ILE A 96 -4.677 1.513 0.730 1.00 0.00 O ATOM 1503 CB ILE A 96 -3.062 1.046 -1.567 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.696 0.271 -2.822 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -1.971 2.093 -1.294 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -2.909 1.159 -4.047 1.00 0.00 C ATOM 0 H ILE A 96 -4.896 -0.799 -1.200 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.141 -0.300 -0.124 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.027 1.535 -1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.657 -0.055 -2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.308 -0.627 -2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.915 2.787 -2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.213 2.642 -0.384 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.010 1.594 -1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.647 0.605 -4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.955 1.463 -4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.278 2.044 -3.969 1.00 0.00 H new ATOM 1518 N THR A 97 -3.026 0.675 1.944 1.00 0.00 N ATOM 1519 CA THR A 97 -3.505 1.366 3.167 1.00 0.00 C ATOM 1520 C THR A 97 -2.831 2.726 3.305 1.00 0.00 C ATOM 1521 O THR A 97 -1.710 2.912 2.872 1.00 0.00 O ATOM 1522 CB THR A 97 -3.154 0.500 4.388 1.00 0.00 C ATOM 1523 OG1 THR A 97 -4.111 0.837 5.373 1.00 0.00 O ATOM 1524 CG2 THR A 97 -1.807 0.923 4.998 1.00 0.00 C ATOM 0 H THR A 97 -2.185 0.110 2.060 1.00 0.00 H new ATOM 0 HA THR A 97 -4.583 1.514 3.101 1.00 0.00 H new ATOM 0 HB THR A 97 -3.125 -0.550 4.096 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.943 0.314 6.185 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.584 0.294 5.860 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.019 0.811 4.253 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.862 1.965 5.314 1.00 0.00 H new ATOM 1532 N VAL A 98 -3.521 3.652 3.907 1.00 0.00 N ATOM 1533 CA VAL A 98 -2.926 5.001 4.074 1.00 0.00 C ATOM 1534 C VAL A 98 -2.144 5.107 5.369 1.00 0.00 C ATOM 1535 O VAL A 98 -2.447 4.443 6.342 1.00 0.00 O ATOM 1536 CB VAL A 98 -4.050 6.032 4.096 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -3.443 7.431 4.226 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -4.824 5.944 2.790 1.00 0.00 C ATOM 0 H VAL A 98 -4.461 3.534 4.286 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.243 5.180 3.244 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.716 5.840 4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.241 8.174 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.869 7.494 5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.786 7.623 3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.631 6.677 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.153 6.148 1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.244 4.944 2.682 1.00 0.00 H new ATOM 1548 N THR A 99 -1.140 5.948 5.349 1.00 0.00 N ATOM 1549 CA THR A 99 -0.304 6.137 6.557 1.00 0.00 C ATOM 1550 C THR A 99 -0.046 7.622 6.801 1.00 0.00 C ATOM 1551 O THR A 99 0.011 8.402 5.873 1.00 0.00 O ATOM 1552 CB THR A 99 1.036 5.438 6.314 1.00 0.00 C ATOM 1553 OG1 THR A 99 0.926 4.863 5.027 1.00 0.00 O ATOM 1554 CG2 THR A 99 1.210 4.239 7.256 1.00 0.00 C ATOM 0 H THR A 99 -0.869 6.510 4.542 1.00 0.00 H new ATOM 0 HA THR A 99 -0.816 5.723 7.426 1.00 0.00 H new ATOM 0 HB THR A 99 1.852 6.148 6.448 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.759 4.396 4.805 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.170 3.760 7.062 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.177 4.581 8.290 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.406 3.523 7.085 1.00 0.00 H new