USER MOD reduce.3.24.130724 H: found=0, std=0, add=1055, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1055 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 76 ASN :FLIP amide:sc= 0.302 F(o=-1.4,f=0.54) USER MOD Set 1.2: A 133 ASN :FLIP amide:sc= 0.237 X(o=0.058,f=0.54) USER MOD Set 2.1: A 86 ASN : amide:sc= 1.16 K(o=2,f=-1.5) USER MOD Set 2.2: A 132 SER OG : rot 143:sc= 0.8 USER MOD Set 3.1: A 116 SER OG : rot 159:sc= 1.2 USER MOD Set 3.2: A 118 ASN : amide:sc= 0.834 K(o=2,f=0.38) USER MOD Set 4.1: A 96 THR OG1 : rot -126:sc= 0.295 USER MOD Set 4.2: A 98 ASN : amide:sc= 0.25 K(o=0.54,f=0) USER MOD Set 5.1: A 84 THR OG1 : rot -150:sc= -0.544 USER MOD Set 5.2: A 130 THR OG1 : rot 5:sc= 0.281 USER MOD Set 6.1: A 63 SER OG : rot 180:sc= 0.854 USER MOD Set 6.2: A 105 SER OG : rot 111:sc= 0.979 USER MOD Set 7.1: A 22 GLN :FLIP amide:sc= -0.639 F(o=-2.3,f=0.31) USER MOD Set 7.2: A 62 ASN : amide:sc= 0.948 K(o=0.31,f=-0.94) USER MOD Set 8.1: A 19 HIS : no HD1:sc= -0.0774 X(o=0.12,f=0.29) USER MOD Set 8.2: A 21 SER OG : rot 161:sc= 0.202 USER MOD Set 9.1: A 16 LYS NZ :NH3+ -140:sc= 1.15! (180deg=0.125!) USER MOD Set 9.2: A 45 GLN : amide:sc= -2.92! C(o=-1.8!,f=-11!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 160:sc=-0.00252 USER MOD Single : A 13 HIS : no HE2:sc= -0.259 K(o=-0.26,f=-6.1!) USER MOD Single : A 24 SER OG : rot 140:sc= 0.00527 USER MOD Single : A 25 ASN : amide:sc= -0.265 K(o=-0.27,f=-1.8!) USER MOD Single : A 26 THR OG1 : rot -131:sc= 1.39 USER MOD Single : A 37 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0429) USER MOD Single : A 40 THR OG1 : rot 170:sc= 0 USER MOD Single : A 42 MET CE :methyl -171:sc= -1.87 (180deg=-2.43) USER MOD Single : A 47 GLN : amide:sc= -0.415 X(o=-0.42,f=-0.049) USER MOD Single : A 56 SER OG : rot 16:sc= 0.511 USER MOD Single : A 58 LYS NZ :NH3+ -132:sc= -0.0371 (180deg=-0.297) USER MOD Single : A 60 LYS NZ :NH3+ 164:sc= -0.0166 (180deg=-0.231) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 18:sc= -0.161 USER MOD Single : A 71 THR OG1 : rot 29:sc= 0.0544 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -2.41! C(o=-2.4!,f=-11!) USER MOD Single : A 83 SER OG : rot 27:sc= 1.52 USER MOD Single : A 87 SER OG : rot -168:sc= 1.16 USER MOD Single : A 91 LYS NZ :NH3+ 146:sc= -1.16 (180deg=-3.22!) USER MOD Single : A 93 THR OG1 : rot 82:sc= 0.211 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 134:sc= -1.69 (180deg=-2.23!) USER MOD Single : A 110 THR OG1 : rot -9:sc= 0.293 USER MOD Single : A 113 SER OG : rot 180:sc= 0.00335 USER MOD Single : A 115 ASN :FLIP amide:sc= -0.436 F(o=-1.6,f=-0.44) USER MOD Single : A 123 GLN : amide:sc= -1.59! C(o=-1.6!,f=-2.6!) USER MOD Single : A 124 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.045) USER MOD Single : A 127 TYR OH : rot 30:sc= 1.26 USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 134 TYR OH : rot 76:sc= 0.125 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.932 -16.916 -0.558 1.00 0.00 N ATOM 2 CA SER A 1 15.923 -17.458 -1.452 1.00 0.00 C ATOM 3 C SER A 1 14.867 -16.398 -1.760 1.00 0.00 C ATOM 4 O SER A 1 14.777 -15.899 -2.887 1.00 0.00 O ATOM 5 CB SER A 1 15.287 -18.732 -0.858 1.00 0.00 C ATOM 6 OG SER A 1 14.343 -19.323 -1.753 1.00 0.00 O ATOM 0 H1 SER A 1 17.645 -17.646 -0.356 1.00 0.00 H new ATOM 0 H2 SER A 1 17.391 -16.099 -1.008 1.00 0.00 H new ATOM 0 H3 SER A 1 16.483 -16.615 0.330 1.00 0.00 H new ATOM 0 HA SER A 1 16.403 -17.741 -2.389 1.00 0.00 H new ATOM 0 HB2 SER A 1 16.070 -19.455 -0.627 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.792 -18.487 0.082 1.00 0.00 H new ATOM 0 HG SER A 1 13.963 -20.128 -1.343 1.00 0.00 H new ATOM 14 N ALA A 2 14.081 -16.031 -0.774 1.00 0.00 N ATOM 15 CA ALA A 2 13.059 -15.050 -0.974 1.00 0.00 C ATOM 16 C ALA A 2 13.557 -13.694 -0.537 1.00 0.00 C ATOM 17 O ALA A 2 13.363 -13.310 0.609 1.00 0.00 O ATOM 18 CB ALA A 2 11.771 -15.435 -0.251 1.00 0.00 C ATOM 0 H ALA A 2 14.136 -16.403 0.174 1.00 0.00 H new ATOM 0 HA ALA A 2 12.823 -15.004 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.015 -14.669 -0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.412 -16.391 -0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.965 -15.520 0.818 1.00 0.00 H new ATOM 24 N LYS A 3 14.294 -13.051 -1.444 1.00 0.00 N ATOM 25 CA LYS A 3 14.876 -11.726 -1.309 1.00 0.00 C ATOM 26 C LYS A 3 15.812 -11.527 -2.481 1.00 0.00 C ATOM 27 O LYS A 3 16.373 -12.497 -2.998 1.00 0.00 O ATOM 28 CB LYS A 3 15.692 -11.548 -0.021 1.00 0.00 C ATOM 29 CG LYS A 3 16.082 -10.093 0.259 1.00 0.00 C ATOM 30 CD LYS A 3 16.923 -9.925 1.505 1.00 0.00 C ATOM 31 CE LYS A 3 18.315 -10.500 1.340 1.00 0.00 C ATOM 32 NZ LYS A 3 19.130 -10.273 2.547 1.00 0.00 N ATOM 0 H LYS A 3 14.511 -13.473 -2.347 1.00 0.00 H new ATOM 0 HA LYS A 3 14.060 -11.004 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.115 -11.930 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.597 -12.152 -0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 3 16.632 -9.701 -0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 3 15.176 -9.495 0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 3 16.997 -8.866 1.751 1.00 0.00 H new ATOM 0 HD3 LYS A 3 16.427 -10.414 2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 3 18.249 -11.569 1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 3 18.801 -10.043 0.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 20.078 -10.677 2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 19.211 -9.251 2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 18.676 -10.731 3.363 1.00 0.00 H new ATOM 46 N LEU A 4 15.925 -10.314 -2.905 1.00 0.00 N ATOM 47 CA LEU A 4 16.827 -9.872 -3.946 1.00 0.00 C ATOM 48 C LEU A 4 17.480 -8.620 -3.399 1.00 0.00 C ATOM 49 O LEU A 4 17.138 -8.199 -2.289 1.00 0.00 O ATOM 50 CB LEU A 4 16.088 -9.558 -5.296 1.00 0.00 C ATOM 51 CG LEU A 4 15.594 -10.738 -6.168 1.00 0.00 C ATOM 52 CD1 LEU A 4 14.513 -11.543 -5.481 1.00 0.00 C ATOM 53 CD2 LEU A 4 15.067 -10.221 -7.483 1.00 0.00 C ATOM 0 H LEU A 4 15.365 -9.553 -2.521 1.00 0.00 H new ATOM 0 HA LEU A 4 17.546 -10.655 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 4 15.224 -8.936 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 4 16.759 -8.954 -5.907 1.00 0.00 H new ATOM 0 HG LEU A 4 16.448 -11.395 -6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.198 -12.359 -6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.901 -11.951 -4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.660 -10.899 -5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.721 -11.057 -8.091 1.00 0.00 H new ATOM 0 HD22 LEU A 4 14.237 -9.539 -7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 4 15.861 -9.693 -8.011 1.00 0.00 H new ATOM 65 N GLU A 5 18.376 -8.019 -4.112 1.00 0.00 N ATOM 66 CA GLU A 5 19.010 -6.838 -3.589 1.00 0.00 C ATOM 67 C GLU A 5 18.362 -5.579 -4.126 1.00 0.00 C ATOM 68 O GLU A 5 17.837 -5.557 -5.246 1.00 0.00 O ATOM 69 CB GLU A 5 20.516 -6.866 -3.808 1.00 0.00 C ATOM 70 CG GLU A 5 21.193 -8.003 -3.055 1.00 0.00 C ATOM 71 CD GLU A 5 22.680 -8.020 -3.227 1.00 0.00 C ATOM 72 OE1 GLU A 5 23.383 -7.292 -2.499 1.00 0.00 O ATOM 73 OE2 GLU A 5 23.183 -8.767 -4.085 1.00 0.00 O ATOM 0 H GLU A 5 18.685 -8.312 -5.039 1.00 0.00 H new ATOM 0 HA GLU A 5 18.859 -6.828 -2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 5 20.723 -6.966 -4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 5 20.944 -5.916 -3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 5 20.957 -7.919 -1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 5 20.783 -8.953 -3.398 1.00 0.00 H new ATOM 80 N CYS A 6 18.371 -4.555 -3.320 1.00 0.00 N ATOM 81 CA CYS A 6 17.741 -3.293 -3.637 1.00 0.00 C ATOM 82 C CYS A 6 18.698 -2.163 -3.262 1.00 0.00 C ATOM 83 O CYS A 6 19.711 -2.435 -2.595 1.00 0.00 O ATOM 84 CB CYS A 6 16.447 -3.187 -2.827 1.00 0.00 C ATOM 85 SG CYS A 6 16.695 -3.342 -1.031 1.00 0.00 S ATOM 0 H CYS A 6 18.823 -4.569 -2.406 1.00 0.00 H new ATOM 0 HA CYS A 6 17.509 -3.225 -4.700 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.974 -2.228 -3.038 1.00 0.00 H new ATOM 0 HB3 CYS A 6 15.757 -3.963 -3.158 1.00 0.00 H new ATOM 90 N PRO A 7 18.439 -0.892 -3.701 1.00 0.00 N ATOM 91 CA PRO A 7 19.282 0.260 -3.329 1.00 0.00 C ATOM 92 C PRO A 7 19.467 0.404 -1.799 1.00 0.00 C ATOM 93 O PRO A 7 18.584 0.042 -1.004 1.00 0.00 O ATOM 94 CB PRO A 7 18.523 1.462 -3.897 1.00 0.00 C ATOM 95 CG PRO A 7 17.757 0.908 -5.042 1.00 0.00 C ATOM 96 CD PRO A 7 17.349 -0.476 -4.627 1.00 0.00 C ATOM 0 HA PRO A 7 20.294 0.156 -3.719 1.00 0.00 H new ATOM 0 HB2 PRO A 7 17.861 1.902 -3.152 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.207 2.247 -4.219 1.00 0.00 H new ATOM 0 HG2 PRO A 7 16.885 1.523 -5.264 1.00 0.00 H new ATOM 0 HG3 PRO A 7 18.367 0.882 -5.945 1.00 0.00 H new ATOM 0 HD2 PRO A 7 16.378 -0.477 -4.132 1.00 0.00 H new ATOM 0 HD3 PRO A 7 17.271 -1.146 -5.483 1.00 0.00 H new ATOM 104 N GLN A 8 20.609 0.940 -1.418 1.00 0.00 N ATOM 105 CA GLN A 8 21.041 1.090 -0.019 1.00 0.00 C ATOM 106 C GLN A 8 20.114 1.965 0.831 1.00 0.00 C ATOM 107 O GLN A 8 20.054 1.817 2.058 1.00 0.00 O ATOM 108 CB GLN A 8 22.457 1.674 0.021 1.00 0.00 C ATOM 109 CG GLN A 8 22.576 3.018 -0.687 1.00 0.00 C ATOM 110 CD GLN A 8 23.927 3.661 -0.535 1.00 0.00 C ATOM 111 OE1 GLN A 8 24.156 4.405 0.413 1.00 0.00 O ATOM 112 NE2 GLN A 8 24.818 3.413 -1.465 1.00 0.00 N ATOM 0 H GLN A 8 21.292 1.298 -2.085 1.00 0.00 H new ATOM 0 HA GLN A 8 21.011 0.091 0.415 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.765 1.790 1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 8 23.147 0.967 -0.439 1.00 0.00 H new ATOM 0 HG2 GLN A 8 22.366 2.880 -1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.815 3.694 -0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 8 24.588 2.788 -2.238 1.00 0.00 H new ATOM 0 HE22 GLN A 8 25.741 3.845 -1.416 1.00 0.00 H new ATOM 121 N ASP A 9 19.397 2.852 0.190 1.00 0.00 N ATOM 122 CA ASP A 9 18.552 3.826 0.885 1.00 0.00 C ATOM 123 C ASP A 9 17.168 3.267 1.134 1.00 0.00 C ATOM 124 O ASP A 9 16.283 3.962 1.636 1.00 0.00 O ATOM 125 CB ASP A 9 18.440 5.107 0.056 1.00 0.00 C ATOM 126 CG ASP A 9 19.775 5.748 -0.249 1.00 0.00 C ATOM 127 OD1 ASP A 9 20.394 5.400 -1.274 1.00 0.00 O ATOM 128 OD2 ASP A 9 20.225 6.621 0.514 1.00 0.00 O ATOM 0 H ASP A 9 19.373 2.931 -0.827 1.00 0.00 H new ATOM 0 HA ASP A 9 19.016 4.048 1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 9 17.932 4.880 -0.882 1.00 0.00 H new ATOM 0 HB3 ASP A 9 17.816 5.823 0.591 1.00 0.00 H new ATOM 133 N TRP A 10 16.987 2.025 0.779 1.00 0.00 N ATOM 134 CA TRP A 10 15.720 1.351 0.899 1.00 0.00 C ATOM 135 C TRP A 10 15.791 0.292 2.003 1.00 0.00 C ATOM 136 O TRP A 10 16.874 -0.280 2.257 1.00 0.00 O ATOM 137 CB TRP A 10 15.364 0.708 -0.444 1.00 0.00 C ATOM 138 CG TRP A 10 15.035 1.669 -1.547 1.00 0.00 C ATOM 139 CD1 TRP A 10 15.805 2.688 -2.021 1.00 0.00 C ATOM 140 CD2 TRP A 10 13.856 1.661 -2.343 1.00 0.00 C ATOM 141 NE1 TRP A 10 15.160 3.329 -3.039 1.00 0.00 N ATOM 142 CE2 TRP A 10 13.964 2.716 -3.261 1.00 0.00 C ATOM 143 CE3 TRP A 10 12.713 0.870 -2.362 1.00 0.00 C ATOM 144 CZ2 TRP A 10 12.972 2.995 -4.188 1.00 0.00 C ATOM 145 CZ3 TRP A 10 11.735 1.148 -3.282 1.00 0.00 C ATOM 146 CH2 TRP A 10 11.869 2.202 -4.181 1.00 0.00 C ATOM 0 H TRP A 10 17.728 1.441 0.391 1.00 0.00 H new ATOM 0 HA TRP A 10 14.945 2.070 1.167 1.00 0.00 H new ATOM 0 HB2 TRP A 10 16.200 0.086 -0.764 1.00 0.00 H new ATOM 0 HB3 TRP A 10 14.512 0.045 -0.296 1.00 0.00 H new ATOM 0 HD1 TRP A 10 16.783 2.950 -1.646 1.00 0.00 H new ATOM 0 HE1 TRP A 10 15.516 4.136 -3.551 1.00 0.00 H new ATOM 0 HE3 TRP A 10 12.598 0.052 -1.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 13.072 3.811 -4.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.844 0.538 -3.310 1.00 0.00 H new ATOM 0 HH2 TRP A 10 11.077 2.394 -4.890 1.00 0.00 H new ATOM 157 N LEU A 11 14.664 0.044 2.659 1.00 0.00 N ATOM 158 CA LEU A 11 14.597 -0.922 3.751 1.00 0.00 C ATOM 159 C LEU A 11 14.236 -2.290 3.209 1.00 0.00 C ATOM 160 O LEU A 11 13.108 -2.503 2.786 1.00 0.00 O ATOM 161 CB LEU A 11 13.529 -0.555 4.818 1.00 0.00 C ATOM 162 CG LEU A 11 13.599 0.798 5.548 1.00 0.00 C ATOM 163 CD1 LEU A 11 14.981 1.094 6.058 1.00 0.00 C ATOM 164 CD2 LEU A 11 13.027 1.943 4.724 1.00 0.00 C ATOM 0 H LEU A 11 13.777 0.502 2.452 1.00 0.00 H new ATOM 0 HA LEU A 11 15.581 -0.917 4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.555 -0.611 4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.551 -1.335 5.579 1.00 0.00 H new ATOM 0 HG LEU A 11 12.954 0.707 6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.983 2.058 6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.285 0.315 6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.679 1.123 5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.103 2.872 5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.588 2.037 3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.980 1.741 4.498 1.00 0.00 H new ATOM 176 N SER A 12 15.161 -3.201 3.214 1.00 0.00 N ATOM 177 CA SER A 12 14.895 -4.533 2.716 1.00 0.00 C ATOM 178 C SER A 12 14.190 -5.378 3.786 1.00 0.00 C ATOM 179 O SER A 12 14.593 -5.388 4.964 1.00 0.00 O ATOM 180 CB SER A 12 16.196 -5.188 2.210 1.00 0.00 C ATOM 181 OG SER A 12 15.996 -6.522 1.789 1.00 0.00 O ATOM 0 H SER A 12 16.111 -3.055 3.556 1.00 0.00 H new ATOM 0 HA SER A 12 14.217 -4.468 1.865 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.596 -4.604 1.381 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.943 -5.168 3.004 1.00 0.00 H new ATOM 0 HG SER A 12 16.728 -6.791 1.196 1.00 0.00 H new ATOM 187 N HIS A 13 13.128 -6.047 3.386 1.00 0.00 N ATOM 188 CA HIS A 13 12.344 -6.873 4.270 1.00 0.00 C ATOM 189 C HIS A 13 11.750 -8.029 3.496 1.00 0.00 C ATOM 190 O HIS A 13 10.919 -7.822 2.621 1.00 0.00 O ATOM 191 CB HIS A 13 11.215 -6.063 4.921 1.00 0.00 C ATOM 192 CG HIS A 13 10.309 -6.866 5.823 1.00 0.00 C ATOM 193 ND1 HIS A 13 8.990 -7.143 5.527 1.00 0.00 N ATOM 194 CD2 HIS A 13 10.536 -7.435 7.037 1.00 0.00 C ATOM 195 CE1 HIS A 13 8.461 -7.825 6.504 1.00 0.00 C ATOM 196 NE2 HIS A 13 9.364 -8.022 7.430 1.00 0.00 N ATOM 0 H HIS A 13 12.784 -6.030 2.426 1.00 0.00 H new ATOM 0 HA HIS A 13 12.999 -7.250 5.055 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.655 -5.250 5.499 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.613 -5.606 4.136 1.00 0.00 H new ATOM 0 HD1 HIS A 13 8.505 -6.858 4.676 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.465 -7.425 7.587 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.439 -8.172 6.543 1.00 0.00 H new ATOM 205 N ARG A 14 12.178 -9.221 3.838 1.00 0.00 N ATOM 206 CA ARG A 14 11.694 -10.465 3.245 1.00 0.00 C ATOM 207 C ARG A 14 12.036 -10.511 1.764 1.00 0.00 C ATOM 208 O ARG A 14 13.169 -10.684 1.411 1.00 0.00 O ATOM 209 CB ARG A 14 10.165 -10.680 3.468 1.00 0.00 C ATOM 210 CG ARG A 14 9.719 -10.611 4.909 1.00 0.00 C ATOM 211 CD ARG A 14 10.240 -11.753 5.743 1.00 0.00 C ATOM 212 NE ARG A 14 9.598 -13.024 5.414 1.00 0.00 N ATOM 213 CZ ARG A 14 8.878 -13.749 6.286 1.00 0.00 C ATOM 214 NH1 ARG A 14 8.509 -13.217 7.463 1.00 0.00 N ATOM 215 NH2 ARG A 14 8.449 -14.954 5.949 1.00 0.00 N ATOM 0 H ARG A 14 12.890 -9.366 4.553 1.00 0.00 H new ATOM 0 HA ARG A 14 12.202 -11.284 3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.620 -9.928 2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.886 -11.653 3.062 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.055 -9.669 5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.630 -10.609 4.947 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.316 -11.844 5.596 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.080 -11.531 6.798 1.00 0.00 H new ATOM 0 HE ARG A 14 9.703 -13.382 4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.776 -12.260 7.696 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.962 -13.770 8.123 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.665 -15.333 5.027 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.902 -15.504 6.611 1.00 0.00 H new ATOM 229 N ASP A 15 11.058 -10.259 0.946 1.00 0.00 N ATOM 230 CA ASP A 15 11.158 -10.276 -0.496 1.00 0.00 C ATOM 231 C ASP A 15 10.656 -8.944 -1.042 1.00 0.00 C ATOM 232 O ASP A 15 10.151 -8.850 -2.168 1.00 0.00 O ATOM 233 CB ASP A 15 10.294 -11.418 -1.053 1.00 0.00 C ATOM 234 CG ASP A 15 8.856 -11.415 -0.597 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.602 -11.596 0.614 1.00 0.00 O ATOM 236 OD2 ASP A 15 7.953 -11.208 -1.408 1.00 0.00 O ATOM 0 H ASP A 15 10.121 -10.024 1.275 1.00 0.00 H new ATOM 0 HA ASP A 15 12.195 -10.429 -0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.314 -11.369 -2.142 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.747 -12.368 -0.768 1.00 0.00 H new ATOM 241 N LYS A 16 10.793 -7.902 -0.250 1.00 0.00 N ATOM 242 CA LYS A 16 10.435 -6.555 -0.668 1.00 0.00 C ATOM 243 C LYS A 16 11.470 -5.601 -0.117 1.00 0.00 C ATOM 244 O LYS A 16 12.227 -5.955 0.781 1.00 0.00 O ATOM 245 CB LYS A 16 9.048 -6.093 -0.152 1.00 0.00 C ATOM 246 CG LYS A 16 7.804 -6.868 -0.601 1.00 0.00 C ATOM 247 CD LYS A 16 7.751 -8.249 0.000 1.00 0.00 C ATOM 248 CE LYS A 16 6.374 -8.834 0.033 1.00 0.00 C ATOM 249 NZ LYS A 16 6.402 -10.092 0.791 1.00 0.00 N ATOM 0 H LYS A 16 11.155 -7.960 0.702 1.00 0.00 H new ATOM 0 HA LYS A 16 10.395 -6.559 -1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.076 -6.114 0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.914 -5.052 -0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.910 -6.314 -0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.798 -6.945 -1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.404 -8.910 -0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.145 -8.210 1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.679 -8.133 0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.018 -9.014 -0.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.794 -10.793 0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.377 -10.451 0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.055 -9.923 1.757 1.00 0.00 H new ATOM 263 N CYS A 17 11.520 -4.420 -0.644 1.00 0.00 N ATOM 264 CA CYS A 17 12.414 -3.408 -0.133 1.00 0.00 C ATOM 265 C CYS A 17 11.676 -2.089 -0.210 1.00 0.00 C ATOM 266 O CYS A 17 11.142 -1.769 -1.237 1.00 0.00 O ATOM 267 CB CYS A 17 13.690 -3.408 -0.953 1.00 0.00 C ATOM 268 SG CYS A 17 15.055 -2.458 -0.253 1.00 0.00 S ATOM 0 H CYS A 17 10.950 -4.122 -1.436 1.00 0.00 H new ATOM 0 HA CYS A 17 12.704 -3.595 0.901 1.00 0.00 H new ATOM 0 HB2 CYS A 17 14.017 -4.439 -1.086 1.00 0.00 H new ATOM 0 HB3 CYS A 17 13.466 -3.014 -1.944 1.00 0.00 H new ATOM 273 N PHE A 18 11.635 -1.349 0.864 1.00 0.00 N ATOM 274 CA PHE A 18 10.721 -0.200 0.963 1.00 0.00 C ATOM 275 C PHE A 18 11.409 1.164 0.986 1.00 0.00 C ATOM 276 O PHE A 18 12.543 1.299 1.421 1.00 0.00 O ATOM 277 CB PHE A 18 9.892 -0.319 2.245 1.00 0.00 C ATOM 278 CG PHE A 18 9.288 -1.672 2.468 1.00 0.00 C ATOM 279 CD1 PHE A 18 8.468 -2.249 1.526 1.00 0.00 C ATOM 280 CD2 PHE A 18 9.555 -2.366 3.628 1.00 0.00 C ATOM 281 CE1 PHE A 18 7.927 -3.497 1.737 1.00 0.00 C ATOM 282 CE2 PHE A 18 9.012 -3.613 3.844 1.00 0.00 C ATOM 283 CZ PHE A 18 8.198 -4.180 2.897 1.00 0.00 C ATOM 0 H PHE A 18 12.213 -1.504 1.690 1.00 0.00 H new ATOM 0 HA PHE A 18 10.111 -0.239 0.060 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.525 -0.072 3.097 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.093 0.422 2.217 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.247 -1.718 0.612 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.198 -1.927 4.377 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.288 -3.940 0.988 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.227 -4.144 4.759 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.772 -5.159 3.063 1.00 0.00 H new ATOM 293 N HIS A 19 10.682 2.160 0.510 1.00 0.00 N ATOM 294 CA HIS A 19 11.049 3.564 0.581 1.00 0.00 C ATOM 295 C HIS A 19 9.790 4.337 0.960 1.00 0.00 C ATOM 296 O HIS A 19 8.844 4.403 0.161 1.00 0.00 O ATOM 297 CB HIS A 19 11.556 4.103 -0.782 1.00 0.00 C ATOM 298 CG HIS A 19 12.085 5.528 -0.734 1.00 0.00 C ATOM 299 ND1 HIS A 19 13.422 5.842 -0.803 1.00 0.00 N ATOM 300 CD2 HIS A 19 11.434 6.722 -0.638 1.00 0.00 C ATOM 301 CE1 HIS A 19 13.567 7.154 -0.746 1.00 0.00 C ATOM 302 NE2 HIS A 19 12.377 7.705 -0.646 1.00 0.00 N ATOM 0 H HIS A 19 9.786 2.007 0.046 1.00 0.00 H new ATOM 0 HA HIS A 19 11.853 3.684 1.308 1.00 0.00 H new ATOM 0 HB2 HIS A 19 12.346 3.447 -1.148 1.00 0.00 H new ATOM 0 HB3 HIS A 19 10.741 4.055 -1.504 1.00 0.00 H new ATOM 0 HD2 HIS A 19 10.365 6.863 -0.568 1.00 0.00 H new ATOM 0 HE1 HIS A 19 14.507 7.686 -0.776 1.00 0.00 H new ATOM 0 HE2 HIS A 19 12.190 8.706 -0.584 1.00 0.00 H new ATOM 311 N VAL A 20 9.760 4.892 2.141 1.00 0.00 N ATOM 312 CA VAL A 20 8.620 5.683 2.579 1.00 0.00 C ATOM 313 C VAL A 20 8.812 7.123 2.117 1.00 0.00 C ATOM 314 O VAL A 20 9.588 7.887 2.709 1.00 0.00 O ATOM 315 CB VAL A 20 8.452 5.653 4.123 1.00 0.00 C ATOM 316 CG1 VAL A 20 7.249 6.483 4.556 1.00 0.00 C ATOM 317 CG2 VAL A 20 8.315 4.221 4.617 1.00 0.00 C ATOM 0 H VAL A 20 10.511 4.816 2.827 1.00 0.00 H new ATOM 0 HA VAL A 20 7.719 5.254 2.141 1.00 0.00 H new ATOM 0 HB VAL A 20 9.345 6.090 4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.153 6.446 5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.387 7.517 4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.345 6.081 4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.198 4.220 5.701 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.441 3.760 4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.207 3.656 4.347 1.00 0.00 H new ATOM 327 N SER A 21 8.176 7.458 1.029 1.00 0.00 N ATOM 328 CA SER A 21 8.268 8.767 0.462 1.00 0.00 C ATOM 329 C SER A 21 7.386 9.725 1.261 1.00 0.00 C ATOM 330 O SER A 21 6.170 9.623 1.213 1.00 0.00 O ATOM 331 CB SER A 21 7.810 8.717 -0.993 1.00 0.00 C ATOM 332 OG SER A 21 8.435 7.642 -1.703 1.00 0.00 O ATOM 0 H SER A 21 7.574 6.820 0.508 1.00 0.00 H new ATOM 0 HA SER A 21 9.299 9.119 0.499 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.727 8.598 -1.031 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.044 9.662 -1.482 1.00 0.00 H new ATOM 0 HG SER A 21 7.919 7.440 -2.512 1.00 0.00 H new ATOM 338 N GLN A 22 8.013 10.641 1.988 1.00 0.00 N ATOM 339 CA GLN A 22 7.326 11.636 2.830 1.00 0.00 C ATOM 340 C GLN A 22 6.871 12.867 2.037 1.00 0.00 C ATOM 341 O GLN A 22 6.553 13.909 2.603 1.00 0.00 O ATOM 342 CB GLN A 22 8.178 12.046 4.023 1.00 0.00 C ATOM 343 CG GLN A 22 8.341 10.969 5.090 1.00 0.00 C ATOM 344 CD GLN A 22 7.032 10.570 5.797 1.00 0.00 C ATOM 345 OE1 GLN A 22 6.083 11.487 5.913 1.00 0.00 O flip ATOM 346 NE2 GLN A 22 6.892 9.437 6.251 1.00 0.00 N flip ATOM 0 H GLN A 22 9.029 10.722 2.016 1.00 0.00 H new ATOM 0 HA GLN A 22 6.427 11.147 3.206 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.166 12.335 3.664 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.734 12.929 4.483 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.776 10.082 4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.051 11.321 5.838 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.639 8.750 6.148 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.029 9.183 6.731 1.00 0.00 H new ATOM 355 N VAL A 23 6.856 12.742 0.755 1.00 0.00 N ATOM 356 CA VAL A 23 6.418 13.812 -0.123 1.00 0.00 C ATOM 357 C VAL A 23 5.107 13.403 -0.737 1.00 0.00 C ATOM 358 O VAL A 23 4.856 12.217 -0.875 1.00 0.00 O ATOM 359 CB VAL A 23 7.466 14.178 -1.213 1.00 0.00 C ATOM 360 CG1 VAL A 23 8.633 14.907 -0.578 1.00 0.00 C ATOM 361 CG2 VAL A 23 7.972 12.937 -1.936 1.00 0.00 C ATOM 0 H VAL A 23 7.146 11.895 0.267 1.00 0.00 H new ATOM 0 HA VAL A 23 6.296 14.720 0.468 1.00 0.00 H new ATOM 0 HB VAL A 23 6.980 14.824 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.364 15.161 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.276 15.820 -0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.100 14.265 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.702 13.228 -2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.440 12.263 -1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.136 12.430 -2.417 1.00 0.00 H new ATOM 371 N SER A 24 4.273 14.344 -1.074 1.00 0.00 N ATOM 372 CA SER A 24 2.944 14.018 -1.550 1.00 0.00 C ATOM 373 C SER A 24 2.796 14.037 -3.080 1.00 0.00 C ATOM 374 O SER A 24 3.558 14.706 -3.798 1.00 0.00 O ATOM 375 CB SER A 24 1.896 14.899 -0.869 1.00 0.00 C ATOM 376 OG SER A 24 1.936 14.717 0.545 1.00 0.00 O ATOM 0 H SER A 24 4.481 15.342 -1.031 1.00 0.00 H new ATOM 0 HA SER A 24 2.771 12.980 -1.267 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.078 15.946 -1.113 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.904 14.652 -1.246 1.00 0.00 H new ATOM 0 HG SER A 24 1.820 15.583 0.990 1.00 0.00 H new ATOM 382 N ASN A 25 1.824 13.271 -3.535 1.00 0.00 N ATOM 383 CA ASN A 25 1.388 13.080 -4.911 1.00 0.00 C ATOM 384 C ASN A 25 0.028 12.428 -4.861 1.00 0.00 C ATOM 385 O ASN A 25 -0.510 12.211 -3.777 1.00 0.00 O ATOM 386 CB ASN A 25 2.314 12.128 -5.675 1.00 0.00 C ATOM 387 CG ASN A 25 3.460 12.803 -6.394 1.00 0.00 C ATOM 388 OD1 ASN A 25 3.395 13.984 -6.715 1.00 0.00 O ATOM 389 ND2 ASN A 25 4.464 12.038 -6.741 1.00 0.00 N ATOM 0 H ASN A 25 1.264 12.712 -2.891 1.00 0.00 H new ATOM 0 HA ASN A 25 1.385 14.047 -5.414 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.721 11.399 -4.974 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.722 11.574 -6.403 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.228 12.421 -7.298 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.482 11.059 -6.454 1.00 0.00 H new ATOM 396 N THR A 26 -0.540 12.104 -5.992 1.00 0.00 N ATOM 397 CA THR A 26 -1.736 11.317 -5.967 1.00 0.00 C ATOM 398 C THR A 26 -1.287 9.868 -5.927 1.00 0.00 C ATOM 399 O THR A 26 -0.064 9.591 -6.008 1.00 0.00 O ATOM 400 CB THR A 26 -2.605 11.521 -7.221 1.00 0.00 C ATOM 401 OG1 THR A 26 -1.865 11.106 -8.379 1.00 0.00 O ATOM 402 CG2 THR A 26 -3.038 12.975 -7.364 1.00 0.00 C ATOM 0 H THR A 26 -0.202 12.366 -6.918 1.00 0.00 H new ATOM 0 HA THR A 26 -2.340 11.608 -5.108 1.00 0.00 H new ATOM 0 HB THR A 26 -3.507 10.917 -7.124 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.921 11.800 -9.069 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.650 13.086 -8.259 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.618 13.270 -6.489 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.156 13.611 -7.446 1.00 0.00 H new ATOM 410 N TRP A 27 -2.218 8.966 -5.825 1.00 0.00 N ATOM 411 CA TRP A 27 -1.907 7.560 -5.829 1.00 0.00 C ATOM 412 C TRP A 27 -1.186 7.187 -7.145 1.00 0.00 C ATOM 413 O TRP A 27 -0.162 6.495 -7.145 1.00 0.00 O ATOM 414 CB TRP A 27 -3.211 6.767 -5.664 1.00 0.00 C ATOM 415 CG TRP A 27 -3.044 5.291 -5.697 1.00 0.00 C ATOM 416 CD1 TRP A 27 -2.813 4.467 -4.649 1.00 0.00 C ATOM 417 CD2 TRP A 27 -3.098 4.475 -6.850 1.00 0.00 C ATOM 418 NE1 TRP A 27 -2.709 3.179 -5.089 1.00 0.00 N ATOM 419 CE2 TRP A 27 -2.883 3.158 -6.447 1.00 0.00 C ATOM 420 CE3 TRP A 27 -3.305 4.749 -8.185 1.00 0.00 C ATOM 421 CZ2 TRP A 27 -2.866 2.106 -7.353 1.00 0.00 C ATOM 422 CZ3 TRP A 27 -3.289 3.737 -9.084 1.00 0.00 C ATOM 423 CH2 TRP A 27 -3.073 2.416 -8.676 1.00 0.00 C ATOM 0 H TRP A 27 -3.212 9.179 -5.737 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.239 7.316 -5.003 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -3.674 7.046 -4.717 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.902 7.059 -6.455 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.724 4.781 -3.619 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -2.531 2.364 -4.502 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.479 5.764 -8.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -2.697 1.089 -7.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.445 3.952 -10.131 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.069 1.627 -9.413 1.00 0.00 H new ATOM 434 N GLU A 28 -1.710 7.706 -8.242 1.00 0.00 N ATOM 435 CA GLU A 28 -1.201 7.416 -9.569 1.00 0.00 C ATOM 436 C GLU A 28 0.190 8.012 -9.797 1.00 0.00 C ATOM 437 O GLU A 28 1.069 7.349 -10.351 1.00 0.00 O ATOM 438 CB GLU A 28 -2.186 7.887 -10.621 1.00 0.00 C ATOM 439 CG GLU A 28 -3.552 7.265 -10.490 1.00 0.00 C ATOM 440 CD GLU A 28 -4.500 7.719 -11.546 1.00 0.00 C ATOM 441 OE1 GLU A 28 -4.569 7.071 -12.606 1.00 0.00 O ATOM 442 OE2 GLU A 28 -5.233 8.699 -11.322 1.00 0.00 O ATOM 0 H GLU A 28 -2.506 8.344 -8.236 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.091 6.335 -9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.282 8.971 -10.557 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.786 7.660 -11.609 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.457 6.180 -10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.964 7.508 -9.510 1.00 0.00 H new ATOM 449 N GLU A 29 0.399 9.253 -9.360 1.00 0.00 N ATOM 450 CA GLU A 29 1.713 9.875 -9.511 1.00 0.00 C ATOM 451 C GLU A 29 2.781 9.166 -8.693 1.00 0.00 C ATOM 452 O GLU A 29 3.888 8.947 -9.179 1.00 0.00 O ATOM 453 CB GLU A 29 1.722 11.373 -9.201 1.00 0.00 C ATOM 454 CG GLU A 29 1.281 12.282 -10.337 1.00 0.00 C ATOM 455 CD GLU A 29 -0.175 12.211 -10.671 1.00 0.00 C ATOM 456 OE1 GLU A 29 -0.968 12.895 -9.993 1.00 0.00 O ATOM 457 OE2 GLU A 29 -0.557 11.512 -11.631 1.00 0.00 O ATOM 0 H GLU A 29 -0.306 9.836 -8.909 1.00 0.00 H new ATOM 0 HA GLU A 29 1.952 9.765 -10.569 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.073 11.552 -8.344 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.731 11.658 -8.902 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.529 13.311 -10.077 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.856 12.031 -11.228 1.00 0.00 H new ATOM 464 N GLY A 30 2.445 8.781 -7.463 1.00 0.00 N ATOM 465 CA GLY A 30 3.413 8.080 -6.629 1.00 0.00 C ATOM 466 C GLY A 30 3.773 6.736 -7.200 1.00 0.00 C ATOM 467 O GLY A 30 4.908 6.289 -7.077 1.00 0.00 O ATOM 0 H GLY A 30 1.534 8.938 -7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.314 8.686 -6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.004 7.951 -5.627 1.00 0.00 H new ATOM 471 N LEU A 31 2.808 6.117 -7.859 1.00 0.00 N ATOM 472 CA LEU A 31 2.997 4.842 -8.528 1.00 0.00 C ATOM 473 C LEU A 31 4.129 5.014 -9.571 1.00 0.00 C ATOM 474 O LEU A 31 5.108 4.257 -9.587 1.00 0.00 O ATOM 475 CB LEU A 31 1.665 4.464 -9.227 1.00 0.00 C ATOM 476 CG LEU A 31 1.419 3.001 -9.662 1.00 0.00 C ATOM 477 CD1 LEU A 31 0.057 2.892 -10.304 1.00 0.00 C ATOM 478 CD2 LEU A 31 2.463 2.492 -10.630 1.00 0.00 C ATOM 0 H LEU A 31 1.862 6.489 -7.945 1.00 0.00 H new ATOM 0 HA LEU A 31 3.270 4.054 -7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.853 4.746 -8.556 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.575 5.088 -10.116 1.00 0.00 H new ATOM 0 HG LEU A 31 1.479 2.386 -8.764 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.119 1.861 -10.612 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.708 3.192 -9.588 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.013 3.544 -11.177 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.237 1.460 -10.899 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.459 3.110 -11.528 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.446 2.538 -10.162 1.00 0.00 H new ATOM 490 N VAL A 32 3.999 6.055 -10.392 1.00 0.00 N ATOM 491 CA VAL A 32 4.969 6.366 -11.447 1.00 0.00 C ATOM 492 C VAL A 32 6.336 6.706 -10.842 1.00 0.00 C ATOM 493 O VAL A 32 7.388 6.332 -11.390 1.00 0.00 O ATOM 494 CB VAL A 32 4.467 7.526 -12.353 1.00 0.00 C ATOM 495 CG1 VAL A 32 5.477 7.868 -13.446 1.00 0.00 C ATOM 496 CG2 VAL A 32 3.140 7.152 -12.977 1.00 0.00 C ATOM 0 H VAL A 32 3.218 6.709 -10.346 1.00 0.00 H new ATOM 0 HA VAL A 32 5.078 5.479 -12.071 1.00 0.00 H new ATOM 0 HB VAL A 32 4.344 8.409 -11.726 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.089 8.683 -14.058 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.418 8.173 -12.989 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.645 6.992 -14.073 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.793 7.968 -13.611 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.262 6.252 -13.579 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.408 6.966 -12.191 1.00 0.00 H new ATOM 506 N ASP A 33 6.319 7.387 -9.708 1.00 0.00 N ATOM 507 CA ASP A 33 7.544 7.698 -8.974 1.00 0.00 C ATOM 508 C ASP A 33 8.281 6.463 -8.508 1.00 0.00 C ATOM 509 O ASP A 33 9.518 6.440 -8.517 1.00 0.00 O ATOM 510 CB ASP A 33 7.326 8.697 -7.827 1.00 0.00 C ATOM 511 CG ASP A 33 7.539 10.148 -8.233 1.00 0.00 C ATOM 512 OD1 ASP A 33 6.611 10.813 -8.724 1.00 0.00 O ATOM 513 OD2 ASP A 33 8.670 10.652 -8.058 1.00 0.00 O ATOM 0 H ASP A 33 5.467 7.739 -9.270 1.00 0.00 H new ATOM 0 HA ASP A 33 8.189 8.195 -9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.312 8.581 -7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.006 8.454 -7.010 1.00 0.00 H new ATOM 518 N CYS A 34 7.555 5.439 -8.121 1.00 0.00 N ATOM 519 CA CYS A 34 8.178 4.187 -7.729 1.00 0.00 C ATOM 520 C CYS A 34 8.817 3.518 -8.939 1.00 0.00 C ATOM 521 O CYS A 34 9.954 3.020 -8.861 1.00 0.00 O ATOM 522 CB CYS A 34 7.177 3.264 -7.060 1.00 0.00 C ATOM 523 SG CYS A 34 6.404 3.988 -5.581 1.00 0.00 S ATOM 0 H CYS A 34 6.536 5.444 -8.068 1.00 0.00 H new ATOM 0 HA CYS A 34 8.960 4.404 -7.001 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.399 3.003 -7.777 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.678 2.337 -6.782 1.00 0.00 H new ATOM 528 N ASP A 35 8.121 3.577 -10.084 1.00 0.00 N ATOM 529 CA ASP A 35 8.636 3.020 -11.349 1.00 0.00 C ATOM 530 C ASP A 35 9.924 3.693 -11.755 1.00 0.00 C ATOM 531 O ASP A 35 10.755 3.099 -12.439 1.00 0.00 O ATOM 532 CB ASP A 35 7.620 3.116 -12.497 1.00 0.00 C ATOM 533 CG ASP A 35 6.686 1.938 -12.585 1.00 0.00 C ATOM 534 OD1 ASP A 35 7.072 0.907 -13.184 1.00 0.00 O ATOM 535 OD2 ASP A 35 5.545 2.020 -12.107 1.00 0.00 O ATOM 0 H ASP A 35 7.198 4.005 -10.162 1.00 0.00 H new ATOM 0 HA ASP A 35 8.823 1.963 -11.160 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.032 4.025 -12.373 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.159 3.211 -13.439 1.00 0.00 H new ATOM 540 N GLY A 36 10.101 4.923 -11.290 1.00 0.00 N ATOM 541 CA GLY A 36 11.298 5.693 -11.553 1.00 0.00 C ATOM 542 C GLY A 36 12.573 5.013 -11.061 1.00 0.00 C ATOM 543 O GLY A 36 13.639 5.224 -11.618 1.00 0.00 O ATOM 0 H GLY A 36 9.412 5.412 -10.718 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.379 5.870 -12.625 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.207 6.668 -11.075 1.00 0.00 H new ATOM 547 N LYS A 37 12.461 4.192 -10.022 1.00 0.00 N ATOM 548 CA LYS A 37 13.634 3.460 -9.501 1.00 0.00 C ATOM 549 C LYS A 37 13.602 2.011 -9.957 1.00 0.00 C ATOM 550 O LYS A 37 14.441 1.196 -9.545 1.00 0.00 O ATOM 551 CB LYS A 37 13.712 3.452 -7.956 1.00 0.00 C ATOM 552 CG LYS A 37 13.881 4.797 -7.252 1.00 0.00 C ATOM 553 CD LYS A 37 12.596 5.598 -7.192 1.00 0.00 C ATOM 554 CE LYS A 37 12.745 6.808 -6.278 1.00 0.00 C ATOM 555 NZ LYS A 37 13.824 7.732 -6.712 1.00 0.00 N ATOM 0 H LYS A 37 11.590 4.011 -9.524 1.00 0.00 H new ATOM 0 HA LYS A 37 14.503 3.987 -9.894 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.804 2.985 -7.576 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.545 2.813 -7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.245 4.628 -6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.642 5.380 -7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.322 5.927 -8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.785 4.964 -6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.800 7.351 -6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.952 6.467 -5.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.791 8.598 -6.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.747 7.270 -6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.690 7.976 -7.714 1.00 0.00 H new ATOM 569 N GLY A 38 12.647 1.685 -10.800 1.00 0.00 N ATOM 570 CA GLY A 38 12.456 0.311 -11.178 1.00 0.00 C ATOM 571 C GLY A 38 11.844 -0.441 -10.026 1.00 0.00 C ATOM 572 O GLY A 38 12.267 -1.548 -9.672 1.00 0.00 O ATOM 0 H GLY A 38 12.000 2.346 -11.230 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.809 0.249 -12.053 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.410 -0.138 -11.455 1.00 0.00 H new ATOM 576 N ALA A 39 10.883 0.185 -9.417 1.00 0.00 N ATOM 577 CA ALA A 39 10.212 -0.338 -8.276 1.00 0.00 C ATOM 578 C ALA A 39 8.716 -0.189 -8.482 1.00 0.00 C ATOM 579 O ALA A 39 8.281 0.353 -9.496 1.00 0.00 O ATOM 580 CB ALA A 39 10.681 0.399 -7.030 1.00 0.00 C ATOM 0 H ALA A 39 10.538 1.098 -9.712 1.00 0.00 H new ATOM 0 HA ALA A 39 10.442 -1.395 -8.144 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.167 -0.001 -6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.756 0.266 -6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.456 1.461 -7.129 1.00 0.00 H new ATOM 586 N THR A 40 7.949 -0.669 -7.561 1.00 0.00 N ATOM 587 CA THR A 40 6.528 -0.634 -7.652 1.00 0.00 C ATOM 588 C THR A 40 5.922 0.051 -6.422 1.00 0.00 C ATOM 589 O THR A 40 6.589 0.225 -5.408 1.00 0.00 O ATOM 590 CB THR A 40 5.984 -2.071 -7.819 1.00 0.00 C ATOM 591 OG1 THR A 40 6.777 -2.992 -7.037 1.00 0.00 O ATOM 592 CG2 THR A 40 5.993 -2.502 -9.277 1.00 0.00 C ATOM 0 H THR A 40 8.299 -1.105 -6.708 1.00 0.00 H new ATOM 0 HA THR A 40 6.240 -0.049 -8.526 1.00 0.00 H new ATOM 0 HB THR A 40 4.953 -2.081 -7.467 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.336 -3.867 -7.016 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.604 -3.517 -9.359 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.368 -1.826 -9.860 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.013 -2.472 -9.659 1.00 0.00 H new ATOM 600 N LEU A 41 4.702 0.502 -6.541 1.00 0.00 N ATOM 601 CA LEU A 41 3.997 1.103 -5.428 1.00 0.00 C ATOM 602 C LEU A 41 3.629 -0.042 -4.474 1.00 0.00 C ATOM 603 O LEU A 41 3.002 -0.999 -4.910 1.00 0.00 O ATOM 604 CB LEU A 41 2.747 1.826 -5.964 1.00 0.00 C ATOM 605 CG LEU A 41 1.975 2.736 -5.001 1.00 0.00 C ATOM 606 CD1 LEU A 41 2.837 3.888 -4.511 1.00 0.00 C ATOM 607 CD2 LEU A 41 0.736 3.279 -5.677 1.00 0.00 C ATOM 0 H LEU A 41 4.165 0.466 -7.408 1.00 0.00 H new ATOM 0 HA LEU A 41 4.600 1.841 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.050 2.427 -6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.056 1.069 -6.335 1.00 0.00 H new ATOM 0 HG LEU A 41 1.687 2.136 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.258 4.512 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.708 3.494 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.164 4.485 -5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.196 3.924 -4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.024 3.854 -6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.094 2.452 -5.978 1.00 0.00 H new ATOM 619 N MET A 42 4.037 0.097 -3.200 1.00 0.00 N ATOM 620 CA MET A 42 3.976 -0.944 -2.113 1.00 0.00 C ATOM 621 C MET A 42 2.905 -2.048 -2.282 1.00 0.00 C ATOM 622 O MET A 42 1.713 -1.755 -2.379 1.00 0.00 O ATOM 623 CB MET A 42 3.792 -0.259 -0.753 1.00 0.00 C ATOM 624 CG MET A 42 3.641 -1.224 0.417 1.00 0.00 C ATOM 625 SD MET A 42 5.082 -2.239 0.651 1.00 0.00 S ATOM 626 CE MET A 42 4.469 -3.439 1.825 1.00 0.00 C ATOM 0 H MET A 42 4.440 0.973 -2.866 1.00 0.00 H new ATOM 0 HA MET A 42 4.929 -1.468 -2.182 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.648 0.389 -0.567 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.911 0.381 -0.797 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.447 -0.658 1.328 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.774 -1.863 0.248 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.297 -4.046 2.191 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.000 -2.922 2.662 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.735 -4.082 1.339 1.00 0.00 H new ATOM 636 N LEU A 43 3.359 -3.309 -2.240 1.00 0.00 N ATOM 637 CA LEU A 43 2.514 -4.497 -2.373 1.00 0.00 C ATOM 638 C LEU A 43 2.618 -5.323 -1.077 1.00 0.00 C ATOM 639 O LEU A 43 3.658 -5.916 -0.779 1.00 0.00 O ATOM 640 CB LEU A 43 2.952 -5.386 -3.570 1.00 0.00 C ATOM 641 CG LEU A 43 2.908 -4.784 -4.996 1.00 0.00 C ATOM 642 CD1 LEU A 43 1.656 -4.006 -5.249 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.132 -3.979 -5.353 1.00 0.00 C ATOM 0 H LEU A 43 4.346 -3.532 -2.110 1.00 0.00 H new ATOM 0 HA LEU A 43 1.490 -4.169 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.974 -5.715 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.324 -6.277 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 43 2.904 -5.646 -5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.675 -3.605 -6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.792 -4.660 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.587 -3.185 -4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.029 -3.590 -6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.238 -3.149 -4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.015 -4.616 -5.297 1.00 0.00 H new ATOM 655 N ILE A 44 1.554 -5.362 -0.323 1.00 0.00 N ATOM 656 CA ILE A 44 1.555 -5.988 0.994 1.00 0.00 C ATOM 657 C ILE A 44 1.121 -7.458 0.915 1.00 0.00 C ATOM 658 O ILE A 44 0.105 -7.785 0.307 1.00 0.00 O ATOM 659 CB ILE A 44 0.600 -5.231 1.950 1.00 0.00 C ATOM 660 CG1 ILE A 44 0.900 -3.727 1.898 1.00 0.00 C ATOM 661 CG2 ILE A 44 0.750 -5.750 3.387 1.00 0.00 C ATOM 662 CD1 ILE A 44 -0.092 -2.879 2.637 1.00 0.00 C ATOM 0 H ILE A 44 0.655 -4.964 -0.594 1.00 0.00 H new ATOM 0 HA ILE A 44 2.575 -5.943 1.376 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.427 -5.404 1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.893 -3.551 2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.929 -3.409 0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.071 -5.206 4.043 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.510 -6.813 3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.776 -5.601 3.723 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.191 -1.830 2.552 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.084 -3.023 2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.105 -3.167 3.688 1.00 0.00 H new ATOM 674 N GLN A 45 1.907 -8.324 1.528 1.00 0.00 N ATOM 675 CA GLN A 45 1.603 -9.751 1.588 1.00 0.00 C ATOM 676 C GLN A 45 1.050 -10.167 2.954 1.00 0.00 C ATOM 677 O GLN A 45 0.024 -10.831 3.044 1.00 0.00 O ATOM 678 CB GLN A 45 2.858 -10.584 1.289 1.00 0.00 C ATOM 679 CG GLN A 45 2.709 -12.068 1.652 1.00 0.00 C ATOM 680 CD GLN A 45 3.974 -12.857 1.460 1.00 0.00 C ATOM 681 OE1 GLN A 45 5.064 -12.314 1.539 1.00 0.00 O ATOM 682 NE2 GLN A 45 3.850 -14.133 1.269 1.00 0.00 N ATOM 0 H GLN A 45 2.774 -8.064 1.999 1.00 0.00 H new ATOM 0 HA GLN A 45 0.839 -9.939 0.833 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.096 -10.500 0.229 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.701 -10.166 1.839 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.392 -12.151 2.692 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.919 -12.507 1.042 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.922 -14.552 1.208 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.681 -14.718 1.179 1.00 0.00 H new ATOM 691 N ASP A 46 1.724 -9.777 4.003 1.00 0.00 N ATOM 692 CA ASP A 46 1.398 -10.278 5.328 1.00 0.00 C ATOM 693 C ASP A 46 1.434 -9.135 6.322 1.00 0.00 C ATOM 694 O ASP A 46 1.908 -8.046 5.988 1.00 0.00 O ATOM 695 CB ASP A 46 2.434 -11.356 5.711 1.00 0.00 C ATOM 696 CG ASP A 46 2.090 -12.121 6.967 1.00 0.00 C ATOM 697 OD1 ASP A 46 2.428 -11.662 8.070 1.00 0.00 O ATOM 698 OD2 ASP A 46 1.459 -13.200 6.866 1.00 0.00 O ATOM 0 H ASP A 46 2.501 -9.117 3.975 1.00 0.00 H new ATOM 0 HA ASP A 46 0.399 -10.713 5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.533 -12.060 4.885 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.406 -10.881 5.842 1.00 0.00 H new ATOM 703 N GLN A 47 0.940 -9.370 7.525 1.00 0.00 N ATOM 704 CA GLN A 47 0.931 -8.379 8.587 1.00 0.00 C ATOM 705 C GLN A 47 2.391 -8.034 8.955 1.00 0.00 C ATOM 706 O GLN A 47 2.708 -6.901 9.315 1.00 0.00 O ATOM 707 CB GLN A 47 0.213 -8.948 9.820 1.00 0.00 C ATOM 708 CG GLN A 47 -0.813 -8.014 10.456 1.00 0.00 C ATOM 709 CD GLN A 47 -0.261 -6.646 10.781 1.00 0.00 C ATOM 710 OE1 GLN A 47 0.275 -6.413 11.862 1.00 0.00 O ATOM 711 NE2 GLN A 47 -0.425 -5.721 9.865 1.00 0.00 N ATOM 0 H GLN A 47 0.529 -10.264 7.795 1.00 0.00 H new ATOM 0 HA GLN A 47 0.408 -7.483 8.252 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.287 -9.874 9.536 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.960 -9.207 10.570 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.661 -7.904 9.780 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.192 -8.471 11.370 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.875 -5.954 8.980 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.103 -4.769 10.038 1.00 0.00 H new ATOM 720 N GLU A 48 3.272 -9.036 8.804 1.00 0.00 N ATOM 721 CA GLU A 48 4.690 -8.939 9.025 1.00 0.00 C ATOM 722 C GLU A 48 5.282 -7.849 8.121 1.00 0.00 C ATOM 723 O GLU A 48 6.261 -7.206 8.479 1.00 0.00 O ATOM 724 CB GLU A 48 5.263 -10.296 8.665 1.00 0.00 C ATOM 725 CG GLU A 48 6.379 -10.813 9.534 1.00 0.00 C ATOM 726 CD GLU A 48 7.727 -10.155 9.328 1.00 0.00 C ATOM 727 OE1 GLU A 48 8.444 -10.501 8.360 1.00 0.00 O ATOM 728 OE2 GLU A 48 8.134 -9.320 10.147 1.00 0.00 O ATOM 0 H GLU A 48 2.984 -9.970 8.511 1.00 0.00 H new ATOM 0 HA GLU A 48 4.924 -8.674 10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.452 -11.024 8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.625 -10.250 7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.090 -10.689 10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.486 -11.883 9.358 1.00 0.00 H new ATOM 735 N GLU A 49 4.666 -7.629 6.963 1.00 0.00 N ATOM 736 CA GLU A 49 5.108 -6.574 6.075 1.00 0.00 C ATOM 737 C GLU A 49 4.807 -5.233 6.705 1.00 0.00 C ATOM 738 O GLU A 49 5.708 -4.444 6.955 1.00 0.00 O ATOM 739 CB GLU A 49 4.424 -6.662 4.699 1.00 0.00 C ATOM 740 CG GLU A 49 4.714 -7.937 3.912 1.00 0.00 C ATOM 741 CD GLU A 49 6.192 -8.200 3.686 1.00 0.00 C ATOM 742 OE1 GLU A 49 7.001 -7.269 3.769 1.00 0.00 O ATOM 743 OE2 GLU A 49 6.543 -9.364 3.406 1.00 0.00 O ATOM 0 H GLU A 49 3.867 -8.165 6.625 1.00 0.00 H new ATOM 0 HA GLU A 49 6.181 -6.689 5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.346 -6.578 4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.735 -5.806 4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.281 -8.785 4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.214 -7.877 2.945 1.00 0.00 H new ATOM 750 N LEU A 50 3.546 -5.027 7.070 1.00 0.00 N ATOM 751 CA LEU A 50 3.120 -3.742 7.598 1.00 0.00 C ATOM 752 C LEU A 50 3.685 -3.412 8.943 1.00 0.00 C ATOM 753 O LEU A 50 3.830 -2.242 9.268 1.00 0.00 O ATOM 754 CB LEU A 50 1.617 -3.545 7.583 1.00 0.00 C ATOM 755 CG LEU A 50 0.997 -3.339 6.216 1.00 0.00 C ATOM 756 CD1 LEU A 50 -0.496 -3.119 6.353 1.00 0.00 C ATOM 757 CD2 LEU A 50 1.660 -2.151 5.523 1.00 0.00 C ATOM 0 H LEU A 50 2.808 -5.729 7.010 1.00 0.00 H new ATOM 0 HA LEU A 50 3.549 -3.028 6.895 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.150 -4.414 8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.375 -2.683 8.205 1.00 0.00 H new ATOM 0 HG LEU A 50 1.157 -4.229 5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.934 -2.972 5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.950 -3.990 6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.679 -2.237 6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.211 -2.006 4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.516 -1.253 6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.727 -2.345 5.410 1.00 0.00 H new ATOM 769 N ARG A 51 4.031 -4.415 9.723 1.00 0.00 N ATOM 770 CA ARG A 51 4.635 -4.165 11.002 1.00 0.00 C ATOM 771 C ARG A 51 5.992 -3.480 10.770 1.00 0.00 C ATOM 772 O ARG A 51 6.378 -2.564 11.492 1.00 0.00 O ATOM 773 CB ARG A 51 4.734 -5.493 11.816 1.00 0.00 C ATOM 774 CG ARG A 51 5.823 -6.474 11.401 1.00 0.00 C ATOM 775 CD ARG A 51 7.201 -6.108 11.955 1.00 0.00 C ATOM 776 NE ARG A 51 8.250 -6.950 11.400 1.00 0.00 N ATOM 777 CZ ARG A 51 9.556 -6.676 11.420 1.00 0.00 C ATOM 778 NH1 ARG A 51 10.011 -5.480 11.818 1.00 0.00 N ATOM 779 NH2 ARG A 51 10.411 -7.595 10.986 1.00 0.00 N ATOM 0 H ARG A 51 3.903 -5.400 9.491 1.00 0.00 H new ATOM 0 HA ARG A 51 4.025 -3.492 11.605 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.888 -5.238 12.864 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.773 -6.004 11.750 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.554 -7.473 11.743 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.874 -6.513 10.313 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.417 -5.063 11.730 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.193 -6.206 13.041 1.00 0.00 H new ATOM 0 HE ARG A 51 7.963 -7.823 10.958 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.355 -4.757 12.114 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.014 -5.292 11.825 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.066 -8.492 10.645 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.413 -7.404 10.994 1.00 0.00 H new ATOM 793 N PHE A 52 6.676 -3.920 9.706 1.00 0.00 N ATOM 794 CA PHE A 52 7.956 -3.378 9.317 1.00 0.00 C ATOM 795 C PHE A 52 7.747 -2.011 8.679 1.00 0.00 C ATOM 796 O PHE A 52 8.641 -1.146 8.702 1.00 0.00 O ATOM 797 CB PHE A 52 8.670 -4.340 8.363 1.00 0.00 C ATOM 798 CG PHE A 52 10.095 -3.975 8.052 1.00 0.00 C ATOM 799 CD1 PHE A 52 10.396 -3.163 6.984 1.00 0.00 C ATOM 800 CD2 PHE A 52 11.132 -4.461 8.825 1.00 0.00 C ATOM 801 CE1 PHE A 52 11.694 -2.837 6.688 1.00 0.00 C ATOM 802 CE2 PHE A 52 12.441 -4.143 8.533 1.00 0.00 C ATOM 803 CZ PHE A 52 12.722 -3.328 7.462 1.00 0.00 C ATOM 0 H PHE A 52 6.343 -4.667 9.096 1.00 0.00 H new ATOM 0 HA PHE A 52 8.590 -3.257 10.195 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.652 -5.340 8.796 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.109 -4.387 7.429 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.597 -2.776 6.369 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.914 -5.098 9.669 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.911 -2.195 5.847 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.243 -4.532 9.143 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.745 -3.074 7.228 1.00 0.00 H new ATOM 813 N LEU A 53 6.562 -1.808 8.107 1.00 0.00 N ATOM 814 CA LEU A 53 6.224 -0.512 7.586 1.00 0.00 C ATOM 815 C LEU A 53 6.113 0.427 8.719 1.00 0.00 C ATOM 816 O LEU A 53 6.730 1.437 8.715 1.00 0.00 O ATOM 817 CB LEU A 53 4.945 -0.471 6.711 1.00 0.00 C ATOM 818 CG LEU A 53 5.117 -0.764 5.202 1.00 0.00 C ATOM 819 CD1 LEU A 53 6.059 0.233 4.570 1.00 0.00 C ATOM 820 CD2 LEU A 53 5.613 -2.162 4.938 1.00 0.00 C ATOM 0 H LEU A 53 5.839 -2.520 8.000 1.00 0.00 H new ATOM 0 HA LEU A 53 7.025 -0.224 6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.234 -1.190 7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.495 0.516 6.815 1.00 0.00 H new ATOM 0 HG LEU A 53 4.128 -0.672 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.167 0.010 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.658 1.239 4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.033 0.171 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.716 -2.315 3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.581 -2.301 5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.901 -2.883 5.340 1.00 0.00 H new ATOM 832 N LEU A 54 5.388 0.035 9.734 1.00 0.00 N ATOM 833 CA LEU A 54 5.224 0.849 10.925 1.00 0.00 C ATOM 834 C LEU A 54 6.575 1.197 11.565 1.00 0.00 C ATOM 835 O LEU A 54 6.727 2.276 12.161 1.00 0.00 O ATOM 836 CB LEU A 54 4.293 0.166 11.918 1.00 0.00 C ATOM 837 CG LEU A 54 2.891 -0.175 11.387 1.00 0.00 C ATOM 838 CD1 LEU A 54 1.986 -0.670 12.496 1.00 0.00 C ATOM 839 CD2 LEU A 54 2.267 1.005 10.637 1.00 0.00 C ATOM 0 H LEU A 54 4.892 -0.856 9.765 1.00 0.00 H new ATOM 0 HA LEU A 54 4.764 1.791 10.626 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.767 -0.755 12.259 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.185 0.811 12.790 1.00 0.00 H new ATOM 0 HG LEU A 54 3.005 -0.988 10.669 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.003 -0.902 12.087 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.415 -1.567 12.942 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.888 0.103 13.258 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.277 0.725 10.277 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.181 1.859 11.309 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.899 1.273 9.790 1.00 0.00 H new ATOM 851 N ASP A 55 7.548 0.299 11.425 1.00 0.00 N ATOM 852 CA ASP A 55 8.919 0.562 11.874 1.00 0.00 C ATOM 853 C ASP A 55 9.537 1.714 11.067 1.00 0.00 C ATOM 854 O ASP A 55 10.078 2.664 11.632 1.00 0.00 O ATOM 855 CB ASP A 55 9.845 -0.678 11.739 1.00 0.00 C ATOM 856 CG ASP A 55 9.649 -1.766 12.781 1.00 0.00 C ATOM 857 OD1 ASP A 55 9.970 -1.536 13.958 1.00 0.00 O ATOM 858 OD2 ASP A 55 9.282 -2.906 12.428 1.00 0.00 O ATOM 0 H ASP A 55 7.415 -0.620 11.003 1.00 0.00 H new ATOM 0 HA ASP A 55 8.846 0.824 12.930 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.694 -1.115 10.752 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.881 -0.341 11.783 1.00 0.00 H new ATOM 863 N SER A 56 9.420 1.633 9.751 1.00 0.00 N ATOM 864 CA SER A 56 10.022 2.598 8.848 1.00 0.00 C ATOM 865 C SER A 56 9.203 3.903 8.733 1.00 0.00 C ATOM 866 O SER A 56 9.765 4.982 8.545 1.00 0.00 O ATOM 867 CB SER A 56 10.265 1.931 7.484 1.00 0.00 C ATOM 868 OG SER A 56 9.120 1.197 7.059 1.00 0.00 O ATOM 0 H SER A 56 8.902 0.892 9.278 1.00 0.00 H new ATOM 0 HA SER A 56 10.982 2.907 9.262 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.509 2.692 6.742 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.124 1.264 7.550 1.00 0.00 H new ATOM 0 HG SER A 56 8.341 1.471 7.587 1.00 0.00 H new ATOM 874 N ILE A 57 7.889 3.785 8.847 1.00 0.00 N ATOM 875 CA ILE A 57 6.968 4.916 8.816 1.00 0.00 C ATOM 876 C ILE A 57 7.288 5.876 9.955 1.00 0.00 C ATOM 877 O ILE A 57 7.420 7.091 9.739 1.00 0.00 O ATOM 878 CB ILE A 57 5.472 4.450 8.954 1.00 0.00 C ATOM 879 CG1 ILE A 57 5.005 3.594 7.764 1.00 0.00 C ATOM 880 CG2 ILE A 57 4.531 5.613 9.175 1.00 0.00 C ATOM 881 CD1 ILE A 57 5.123 4.249 6.418 1.00 0.00 C ATOM 0 H ILE A 57 7.422 2.886 8.966 1.00 0.00 H new ATOM 0 HA ILE A 57 7.091 5.412 7.853 1.00 0.00 H new ATOM 0 HB ILE A 57 5.441 3.818 9.842 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.584 2.670 7.752 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.963 3.315 7.924 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.510 5.243 9.264 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.808 6.137 10.090 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.596 6.299 8.330 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.769 3.564 5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.520 5.157 6.401 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.166 4.502 6.227 1.00 0.00 H new ATOM 893 N LYS A 58 7.397 5.314 11.157 1.00 0.00 N ATOM 894 CA LYS A 58 7.684 6.048 12.387 1.00 0.00 C ATOM 895 C LYS A 58 6.561 7.024 12.778 1.00 0.00 C ATOM 896 O LYS A 58 5.818 6.744 13.714 1.00 0.00 O ATOM 897 CB LYS A 58 9.068 6.743 12.344 1.00 0.00 C ATOM 898 CG LYS A 58 9.422 7.548 13.597 1.00 0.00 C ATOM 899 CD LYS A 58 9.347 6.699 14.857 1.00 0.00 C ATOM 900 CE LYS A 58 9.777 7.479 16.088 1.00 0.00 C ATOM 901 NZ LYS A 58 11.178 7.941 15.992 1.00 0.00 N ATOM 0 H LYS A 58 7.285 4.311 11.306 1.00 0.00 H new ATOM 0 HA LYS A 58 7.727 5.301 13.179 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.835 5.984 12.188 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.098 7.409 11.481 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.427 7.957 13.494 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.742 8.395 13.689 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.327 6.339 14.993 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.983 5.821 14.742 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.120 8.339 16.219 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.662 6.852 16.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.680 7.712 16.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.646 7.467 15.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.195 8.970 15.842 1.00 0.00 H new ATOM 915 N GLU A 59 6.422 8.133 12.038 1.00 0.00 N ATOM 916 CA GLU A 59 5.460 9.193 12.371 1.00 0.00 C ATOM 917 C GLU A 59 4.039 8.682 12.407 1.00 0.00 C ATOM 918 O GLU A 59 3.320 8.933 13.348 1.00 0.00 O ATOM 919 CB GLU A 59 5.499 10.347 11.376 1.00 0.00 C ATOM 920 CG GLU A 59 6.800 11.096 11.268 1.00 0.00 C ATOM 921 CD GLU A 59 6.630 12.333 10.422 1.00 0.00 C ATOM 922 OE1 GLU A 59 6.557 12.217 9.183 1.00 0.00 O ATOM 923 OE2 GLU A 59 6.532 13.451 10.988 1.00 0.00 O ATOM 0 H GLU A 59 6.969 8.320 11.198 1.00 0.00 H new ATOM 0 HA GLU A 59 5.761 9.542 13.359 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.247 9.956 10.390 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.718 11.057 11.646 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.150 11.374 12.262 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.562 10.451 10.830 1.00 0.00 H new ATOM 930 N LYS A 60 3.634 8.017 11.318 1.00 0.00 N ATOM 931 CA LYS A 60 2.279 7.453 11.115 1.00 0.00 C ATOM 932 C LYS A 60 1.245 8.523 10.798 1.00 0.00 C ATOM 933 O LYS A 60 0.317 8.273 10.058 1.00 0.00 O ATOM 934 CB LYS A 60 1.798 6.580 12.283 1.00 0.00 C ATOM 935 CG LYS A 60 2.778 5.516 12.694 1.00 0.00 C ATOM 936 CD LYS A 60 2.127 4.475 13.566 1.00 0.00 C ATOM 937 CE LYS A 60 3.145 3.487 14.070 1.00 0.00 C ATOM 938 NZ LYS A 60 4.052 4.102 15.059 1.00 0.00 N ATOM 0 H LYS A 60 4.253 7.847 10.525 1.00 0.00 H new ATOM 0 HA LYS A 60 2.378 6.803 10.246 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.591 7.220 13.141 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.857 6.105 12.005 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.194 5.040 11.806 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.610 5.973 13.230 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.633 4.958 14.410 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.355 3.952 13.001 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.635 2.636 14.522 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.726 3.102 13.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.554 3.356 15.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.742 4.706 14.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.500 4.679 15.725 1.00 0.00 H new ATOM 952 N TYR A 61 1.463 9.719 11.309 1.00 0.00 N ATOM 953 CA TYR A 61 0.557 10.869 11.172 1.00 0.00 C ATOM 954 C TYR A 61 0.615 11.513 9.782 1.00 0.00 C ATOM 955 O TYR A 61 0.538 12.735 9.632 1.00 0.00 O ATOM 956 CB TYR A 61 0.860 11.891 12.266 1.00 0.00 C ATOM 957 CG TYR A 61 0.808 11.289 13.649 1.00 0.00 C ATOM 958 CD1 TYR A 61 -0.295 10.557 14.060 1.00 0.00 C ATOM 959 CD2 TYR A 61 1.871 11.416 14.525 1.00 0.00 C ATOM 960 CE1 TYR A 61 -0.343 9.980 15.303 1.00 0.00 C ATOM 961 CE2 TYR A 61 1.832 10.836 15.774 1.00 0.00 C ATOM 962 CZ TYR A 61 0.719 10.121 16.157 1.00 0.00 C ATOM 963 OH TYR A 61 0.669 9.544 17.405 1.00 0.00 O ATOM 0 H TYR A 61 2.300 9.936 11.851 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.463 10.502 11.288 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.848 12.318 12.096 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.143 12.710 12.202 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.133 10.439 13.388 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.744 11.978 14.226 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.213 9.417 15.607 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.669 10.941 16.448 1.00 0.00 H new ATOM 0 HH TYR A 61 1.500 9.735 17.887 1.00 0.00 H new ATOM 973 N ASN A 62 0.735 10.692 8.794 1.00 0.00 N ATOM 974 CA ASN A 62 0.715 11.093 7.416 1.00 0.00 C ATOM 975 C ASN A 62 -0.132 10.068 6.716 1.00 0.00 C ATOM 976 O ASN A 62 -0.727 9.222 7.364 1.00 0.00 O ATOM 977 CB ASN A 62 2.106 11.090 6.745 1.00 0.00 C ATOM 978 CG ASN A 62 3.169 11.969 7.368 1.00 0.00 C ATOM 979 OD1 ASN A 62 3.234 13.152 7.100 1.00 0.00 O ATOM 980 ND2 ASN A 62 4.074 11.364 8.105 1.00 0.00 N ATOM 0 H ASN A 62 0.854 9.687 8.921 1.00 0.00 H new ATOM 0 HA ASN A 62 0.343 12.115 7.353 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.476 10.065 6.736 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.982 11.393 5.705 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.866 11.890 8.474 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.984 10.368 8.308 1.00 0.00 H new ATOM 987 N SER A 63 -0.159 10.102 5.429 1.00 0.00 N ATOM 988 CA SER A 63 -0.905 9.142 4.669 1.00 0.00 C ATOM 989 C SER A 63 -0.070 8.771 3.476 1.00 0.00 C ATOM 990 O SER A 63 0.330 9.645 2.714 1.00 0.00 O ATOM 991 CB SER A 63 -2.266 9.710 4.252 1.00 0.00 C ATOM 992 OG SER A 63 -3.011 10.138 5.397 1.00 0.00 O ATOM 0 H SER A 63 0.334 10.795 4.866 1.00 0.00 H new ATOM 0 HA SER A 63 -1.115 8.256 5.268 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.122 10.549 3.572 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.830 8.952 3.708 1.00 0.00 H new ATOM 0 HG SER A 63 -3.876 10.498 5.109 1.00 0.00 H new ATOM 998 N PHE A 64 0.262 7.509 3.362 1.00 0.00 N ATOM 999 CA PHE A 64 1.135 7.048 2.299 1.00 0.00 C ATOM 1000 C PHE A 64 0.415 6.010 1.478 1.00 0.00 C ATOM 1001 O PHE A 64 0.011 4.975 2.012 1.00 0.00 O ATOM 1002 CB PHE A 64 2.396 6.404 2.877 1.00 0.00 C ATOM 1003 CG PHE A 64 2.877 7.008 4.156 1.00 0.00 C ATOM 1004 CD1 PHE A 64 3.684 8.119 4.173 1.00 0.00 C ATOM 1005 CD2 PHE A 64 2.493 6.449 5.349 1.00 0.00 C ATOM 1006 CE1 PHE A 64 4.096 8.653 5.367 1.00 0.00 C ATOM 1007 CE2 PHE A 64 2.888 6.964 6.538 1.00 0.00 C ATOM 1008 CZ PHE A 64 3.696 8.075 6.559 1.00 0.00 C ATOM 0 H PHE A 64 -0.059 6.775 3.994 1.00 0.00 H new ATOM 0 HA PHE A 64 1.411 7.906 1.686 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.203 5.344 3.042 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.193 6.471 2.137 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.995 8.573 3.244 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.859 5.575 5.340 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.733 9.525 5.377 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.570 6.505 7.462 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.017 8.495 7.501 1.00 0.00 H new ATOM 1018 N TRP A 65 0.238 6.287 0.219 1.00 0.00 N ATOM 1019 CA TRP A 65 -0.417 5.382 -0.696 1.00 0.00 C ATOM 1020 C TRP A 65 0.355 4.086 -0.829 1.00 0.00 C ATOM 1021 O TRP A 65 1.600 4.087 -0.899 1.00 0.00 O ATOM 1022 CB TRP A 65 -0.505 5.985 -2.105 1.00 0.00 C ATOM 1023 CG TRP A 65 -1.247 7.274 -2.232 1.00 0.00 C ATOM 1024 CD1 TRP A 65 -0.712 8.488 -2.544 1.00 0.00 C ATOM 1025 CD2 TRP A 65 -2.654 7.483 -2.074 1.00 0.00 C ATOM 1026 NE1 TRP A 65 -1.694 9.433 -2.599 1.00 0.00 N ATOM 1027 CE2 TRP A 65 -2.893 8.848 -2.311 1.00 0.00 C ATOM 1028 CE3 TRP A 65 -3.738 6.654 -1.756 1.00 0.00 C ATOM 1029 CZ2 TRP A 65 -4.155 9.401 -2.247 1.00 0.00 C ATOM 1030 CZ3 TRP A 65 -4.998 7.214 -1.690 1.00 0.00 C ATOM 1031 CH2 TRP A 65 -5.192 8.579 -1.935 1.00 0.00 C ATOM 0 H TRP A 65 0.547 7.158 -0.212 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.412 5.202 -0.288 1.00 0.00 H new ATOM 0 HB2 TRP A 65 0.509 6.137 -2.475 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -0.977 5.253 -2.760 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.337 8.675 -2.722 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -1.555 10.419 -2.820 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.591 5.601 -1.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -4.314 10.452 -2.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.846 6.591 -1.446 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -6.189 8.989 -1.875 1.00 0.00 H new ATOM 1042 N ILE A 66 -0.358 2.998 -0.836 1.00 0.00 N ATOM 1043 CA ILE A 66 0.224 1.741 -1.196 1.00 0.00 C ATOM 1044 C ILE A 66 -0.468 1.318 -2.479 1.00 0.00 C ATOM 1045 O ILE A 66 -1.413 1.988 -2.882 1.00 0.00 O ATOM 1046 CB ILE A 66 0.175 0.611 -0.090 1.00 0.00 C ATOM 1047 CG1 ILE A 66 -1.258 0.207 0.343 1.00 0.00 C ATOM 1048 CG2 ILE A 66 0.996 1.032 1.134 1.00 0.00 C ATOM 1049 CD1 ILE A 66 -1.913 1.117 1.366 1.00 0.00 C ATOM 0 H ILE A 66 -1.348 2.957 -0.595 1.00 0.00 H new ATOM 0 HA ILE A 66 1.298 1.879 -1.323 1.00 0.00 H new ATOM 0 HB ILE A 66 0.610 -0.276 -0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.890 0.172 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.224 -0.803 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.954 0.246 1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.032 1.196 0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.586 1.953 1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.911 0.744 1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.311 1.135 2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.988 2.126 0.960 1.00 0.00 H new ATOM 1061 N GLY A 67 -0.063 0.237 -3.107 1.00 0.00 N ATOM 1062 CA GLY A 67 -0.620 -0.125 -4.420 1.00 0.00 C ATOM 1063 C GLY A 67 -2.060 -0.643 -4.397 1.00 0.00 C ATOM 1064 O GLY A 67 -2.472 -1.334 -5.303 1.00 0.00 O ATOM 0 H GLY A 67 0.640 -0.409 -2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.576 0.750 -5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.016 -0.888 -4.869 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.815 -0.271 -3.397 1.00 0.00 N ATOM 1069 CA LEU A 68 -4.171 -0.723 -3.241 1.00 0.00 C ATOM 1070 C LEU A 68 -5.135 0.170 -3.935 1.00 0.00 C ATOM 1071 O LEU A 68 -5.409 1.288 -3.480 1.00 0.00 O ATOM 1072 CB LEU A 68 -4.551 -0.840 -1.773 1.00 0.00 C ATOM 1073 CG LEU A 68 -4.070 -2.081 -1.065 1.00 0.00 C ATOM 1074 CD1 LEU A 68 -4.344 -1.977 0.421 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -4.779 -3.293 -1.636 1.00 0.00 C ATOM 0 H LEU A 68 -2.502 0.361 -2.660 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.223 -1.710 -3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.160 0.030 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.637 -0.798 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.995 -2.183 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.992 -2.880 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.822 -1.111 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.416 -1.866 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.432 -4.191 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.854 -3.186 -1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.561 -3.374 -2.701 1.00 0.00 H new ATOM 1087 N ARG A 69 -5.632 -0.308 -5.024 1.00 0.00 N ATOM 1088 CA ARG A 69 -6.629 0.379 -5.771 1.00 0.00 C ATOM 1089 C ARG A 69 -7.899 -0.423 -5.728 1.00 0.00 C ATOM 1090 O ARG A 69 -7.886 -1.654 -5.902 1.00 0.00 O ATOM 1091 CB ARG A 69 -6.184 0.624 -7.221 1.00 0.00 C ATOM 1092 CG ARG A 69 -5.719 -0.628 -7.967 1.00 0.00 C ATOM 1093 CD ARG A 69 -5.416 -0.339 -9.422 1.00 0.00 C ATOM 1094 NE ARG A 69 -4.902 -1.524 -10.139 1.00 0.00 N ATOM 1095 CZ ARG A 69 -4.987 -1.710 -11.470 1.00 0.00 C ATOM 1096 NH1 ARG A 69 -5.634 -0.836 -12.231 1.00 0.00 N ATOM 1097 NH2 ARG A 69 -4.433 -2.777 -12.032 1.00 0.00 N ATOM 0 H ARG A 69 -5.352 -1.202 -5.427 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.795 1.360 -5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.013 1.071 -7.770 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.373 1.352 -7.220 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.828 -1.029 -7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.490 -1.396 -7.902 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.321 0.015 -9.915 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.683 0.466 -9.484 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.451 -2.253 -9.587 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.071 -0.017 -11.808 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.694 -0.983 -13.238 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.941 -3.459 -11.455 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.499 -2.915 -13.040 1.00 0.00 H new ATOM 1111 N TYR A 70 -8.975 0.231 -5.450 1.00 0.00 N ATOM 1112 CA TYR A 70 -10.226 -0.431 -5.414 1.00 0.00 C ATOM 1113 C TYR A 70 -10.823 -0.304 -6.795 1.00 0.00 C ATOM 1114 O TYR A 70 -11.164 0.800 -7.232 1.00 0.00 O ATOM 1115 CB TYR A 70 -11.095 0.237 -4.352 1.00 0.00 C ATOM 1116 CG TYR A 70 -12.372 -0.460 -4.014 1.00 0.00 C ATOM 1117 CD1 TYR A 70 -12.398 -1.822 -3.764 1.00 0.00 C ATOM 1118 CD2 TYR A 70 -13.548 0.246 -3.910 1.00 0.00 C ATOM 1119 CE1 TYR A 70 -13.563 -2.453 -3.424 1.00 0.00 C ATOM 1120 CE2 TYR A 70 -14.715 -0.378 -3.561 1.00 0.00 C ATOM 1121 CZ TYR A 70 -14.719 -1.726 -3.318 1.00 0.00 C ATOM 1122 OH TYR A 70 -15.886 -2.349 -2.955 1.00 0.00 O ATOM 0 H TYR A 70 -9.009 1.229 -5.244 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.139 -1.486 -5.154 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.507 0.336 -3.440 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.334 1.246 -4.689 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.485 -2.394 -3.839 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.550 1.308 -4.107 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.571 -3.517 -3.240 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -15.630 0.190 -3.477 1.00 0.00 H new ATOM 0 HH TYR A 70 -15.680 -3.213 -2.540 1.00 0.00 H new ATOM 1132 N THR A 71 -10.927 -1.407 -7.478 1.00 0.00 N ATOM 1133 CA THR A 71 -11.380 -1.396 -8.839 1.00 0.00 C ATOM 1134 C THR A 71 -12.830 -1.794 -8.929 1.00 0.00 C ATOM 1135 O THR A 71 -13.225 -2.850 -8.412 1.00 0.00 O ATOM 1136 CB THR A 71 -10.509 -2.318 -9.724 1.00 0.00 C ATOM 1137 OG1 THR A 71 -10.432 -3.638 -9.146 1.00 0.00 O ATOM 1138 CG2 THR A 71 -9.101 -1.761 -9.878 1.00 0.00 C ATOM 0 H THR A 71 -10.702 -2.332 -7.112 1.00 0.00 H new ATOM 0 HA THR A 71 -11.282 -0.376 -9.211 1.00 0.00 H new ATOM 0 HB THR A 71 -10.977 -2.371 -10.707 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.245 -3.817 -8.629 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.512 -2.430 -10.505 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.148 -0.776 -10.342 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.633 -1.677 -8.897 1.00 0.00 H new ATOM 1146 N LEU A 72 -13.635 -0.938 -9.497 1.00 0.00 N ATOM 1147 CA LEU A 72 -15.026 -1.231 -9.687 1.00 0.00 C ATOM 1148 C LEU A 72 -15.374 -1.167 -11.164 1.00 0.00 C ATOM 1149 O LEU A 72 -14.842 -0.324 -11.884 1.00 0.00 O ATOM 1150 CB LEU A 72 -15.919 -0.284 -8.880 1.00 0.00 C ATOM 1151 CG LEU A 72 -15.687 -0.255 -7.368 1.00 0.00 C ATOM 1152 CD1 LEU A 72 -16.719 0.594 -6.707 1.00 0.00 C ATOM 1153 CD2 LEU A 72 -15.723 -1.642 -6.781 1.00 0.00 C ATOM 0 H LEU A 72 -13.345 -0.022 -9.839 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.210 -2.241 -9.321 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.783 0.726 -9.266 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.959 -0.557 -9.061 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.698 0.167 -7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.544 0.608 -5.631 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -16.659 1.610 -7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.709 0.186 -6.909 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -15.555 -1.586 -5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.696 -2.093 -6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -14.944 -2.251 -7.239 1.00 0.00 H new ATOM 1165 N PRO A 73 -16.254 -2.054 -11.647 1.00 0.00 N ATOM 1166 CA PRO A 73 -16.851 -3.109 -10.850 1.00 0.00 C ATOM 1167 C PRO A 73 -15.943 -4.346 -10.800 1.00 0.00 C ATOM 1168 O PRO A 73 -15.404 -4.780 -11.830 1.00 0.00 O ATOM 1169 CB PRO A 73 -18.173 -3.410 -11.574 1.00 0.00 C ATOM 1170 CG PRO A 73 -18.184 -2.543 -12.804 1.00 0.00 C ATOM 1171 CD PRO A 73 -16.770 -2.078 -13.013 1.00 0.00 C ATOM 0 HA PRO A 73 -17.001 -2.820 -9.810 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.240 -4.465 -11.840 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.027 -3.188 -10.934 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.540 -3.102 -13.669 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.856 -1.695 -12.674 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -16.206 -2.759 -13.650 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -16.729 -1.095 -13.482 1.00 0.00 H new ATOM 1179 N ASP A 74 -15.784 -4.881 -9.608 1.00 0.00 N ATOM 1180 CA ASP A 74 -14.886 -6.004 -9.301 1.00 0.00 C ATOM 1181 C ASP A 74 -14.996 -6.220 -7.805 1.00 0.00 C ATOM 1182 O ASP A 74 -15.157 -7.342 -7.314 1.00 0.00 O ATOM 1183 CB ASP A 74 -13.436 -5.633 -9.653 1.00 0.00 C ATOM 1184 CG ASP A 74 -12.454 -6.764 -9.521 1.00 0.00 C ATOM 1185 OD1 ASP A 74 -12.142 -7.168 -8.400 1.00 0.00 O ATOM 1186 OD2 ASP A 74 -11.937 -7.225 -10.570 1.00 0.00 O ATOM 0 H ASP A 74 -16.289 -4.543 -8.789 1.00 0.00 H new ATOM 0 HA ASP A 74 -15.154 -6.895 -9.869 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -13.408 -5.262 -10.677 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.117 -4.814 -9.008 1.00 0.00 H new ATOM 1191 N MET A 75 -14.963 -5.082 -7.099 1.00 0.00 N ATOM 1192 CA MET A 75 -15.134 -4.968 -5.658 1.00 0.00 C ATOM 1193 C MET A 75 -14.004 -5.575 -4.856 1.00 0.00 C ATOM 1194 O MET A 75 -14.103 -5.740 -3.639 1.00 0.00 O ATOM 1195 CB MET A 75 -16.513 -5.445 -5.205 1.00 0.00 C ATOM 1196 CG MET A 75 -17.667 -4.545 -5.655 1.00 0.00 C ATOM 1197 SD MET A 75 -17.820 -4.342 -7.452 1.00 0.00 S ATOM 1198 CE MET A 75 -19.246 -3.282 -7.558 1.00 0.00 C ATOM 0 H MET A 75 -14.809 -4.178 -7.545 1.00 0.00 H new ATOM 0 HA MET A 75 -15.083 -3.902 -5.438 1.00 0.00 H new ATOM 0 HB2 MET A 75 -16.681 -6.451 -5.588 1.00 0.00 H new ATOM 0 HB3 MET A 75 -16.523 -5.513 -4.117 1.00 0.00 H new ATOM 0 HG2 MET A 75 -18.600 -4.955 -5.269 1.00 0.00 H new ATOM 0 HG3 MET A 75 -17.540 -3.562 -5.202 1.00 0.00 H new ATOM 0 HE1 MET A 75 -19.464 -3.069 -8.604 1.00 0.00 H new ATOM 0 HE2 MET A 75 -20.103 -3.778 -7.103 1.00 0.00 H new ATOM 0 HE3 MET A 75 -19.046 -2.349 -7.032 1.00 0.00 H new ATOM 1208 N ASN A 76 -12.931 -5.863 -5.516 1.00 0.00 N ATOM 1209 CA ASN A 76 -11.758 -6.317 -4.853 1.00 0.00 C ATOM 1210 C ASN A 76 -10.692 -5.287 -4.915 1.00 0.00 C ATOM 1211 O ASN A 76 -10.620 -4.483 -5.862 1.00 0.00 O ATOM 1212 CB ASN A 76 -11.236 -7.635 -5.411 1.00 0.00 C ATOM 1213 CG ASN A 76 -11.955 -8.837 -4.861 1.00 0.00 C ATOM 1214 OD1 ASN A 76 -11.417 -9.395 -3.824 1.00 0.00 O flip ATOM 1215 ND2 ASN A 76 -12.966 -9.290 -5.389 1.00 0.00 N flip ATOM 0 H ASN A 76 -12.845 -5.790 -6.530 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.038 -6.493 -3.815 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.333 -7.627 -6.497 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.173 -7.721 -5.187 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.366 -8.827 -6.205 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.406 -10.129 -5.012 1.00 0.00 H new ATOM 1222 N TRP A 77 -9.895 -5.273 -3.893 1.00 0.00 N ATOM 1223 CA TRP A 77 -8.755 -4.432 -3.837 1.00 0.00 C ATOM 1224 C TRP A 77 -7.635 -5.144 -4.512 1.00 0.00 C ATOM 1225 O TRP A 77 -7.185 -6.211 -4.057 1.00 0.00 O ATOM 1226 CB TRP A 77 -8.379 -4.126 -2.407 1.00 0.00 C ATOM 1227 CG TRP A 77 -9.384 -3.314 -1.680 1.00 0.00 C ATOM 1228 CD1 TRP A 77 -10.516 -3.755 -1.066 1.00 0.00 C ATOM 1229 CD2 TRP A 77 -9.335 -1.909 -1.481 1.00 0.00 C ATOM 1230 NE1 TRP A 77 -11.178 -2.697 -0.505 1.00 0.00 N ATOM 1231 CE2 TRP A 77 -10.471 -1.552 -0.746 1.00 0.00 C ATOM 1232 CE3 TRP A 77 -8.435 -0.920 -1.858 1.00 0.00 C ATOM 1233 CZ2 TRP A 77 -10.737 -0.239 -0.379 1.00 0.00 C ATOM 1234 CZ3 TRP A 77 -8.695 0.383 -1.498 1.00 0.00 C ATOM 1235 CH2 TRP A 77 -9.839 0.713 -0.765 1.00 0.00 C ATOM 0 H TRP A 77 -10.025 -5.856 -3.066 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.970 -3.485 -4.332 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.230 -5.064 -1.873 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.425 -3.599 -2.398 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.842 -4.784 -1.027 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -12.057 -2.753 0.010 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.549 -1.169 -2.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -11.619 0.018 0.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.005 1.162 -1.786 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -10.016 1.745 -0.498 1.00 0.00 H new ATOM 1246 N LYS A 78 -7.221 -4.616 -5.595 1.00 0.00 N ATOM 1247 CA LYS A 78 -6.186 -5.205 -6.352 1.00 0.00 C ATOM 1248 C LYS A 78 -5.033 -4.264 -6.369 1.00 0.00 C ATOM 1249 O LYS A 78 -5.196 -3.073 -6.073 1.00 0.00 O ATOM 1250 CB LYS A 78 -6.684 -5.564 -7.757 1.00 0.00 C ATOM 1251 CG LYS A 78 -7.819 -6.591 -7.721 1.00 0.00 C ATOM 1252 CD LYS A 78 -8.367 -6.937 -9.104 1.00 0.00 C ATOM 1253 CE LYS A 78 -7.319 -7.596 -9.976 1.00 0.00 C ATOM 1254 NZ LYS A 78 -7.870 -8.059 -11.260 1.00 0.00 N ATOM 0 H LYS A 78 -7.594 -3.752 -5.988 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.860 -6.143 -5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.029 -4.661 -8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.856 -5.960 -8.344 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.460 -7.502 -7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.630 -6.204 -7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.224 -7.603 -8.999 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.726 -6.030 -9.590 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.510 -6.890 -10.164 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.886 -8.442 -9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.116 -8.503 -11.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.624 -8.753 -11.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.260 -7.249 -11.783 1.00 0.00 H new ATOM 1268 N TRP A 79 -3.886 -4.766 -6.656 1.00 0.00 N ATOM 1269 CA TRP A 79 -2.729 -3.951 -6.625 1.00 0.00 C ATOM 1270 C TRP A 79 -2.382 -3.499 -8.033 1.00 0.00 C ATOM 1271 O TRP A 79 -3.236 -3.505 -8.939 1.00 0.00 O ATOM 1272 CB TRP A 79 -1.557 -4.677 -5.961 1.00 0.00 C ATOM 1273 CG TRP A 79 -1.848 -5.218 -4.588 1.00 0.00 C ATOM 1274 CD1 TRP A 79 -2.424 -6.400 -4.300 1.00 0.00 C ATOM 1275 CD2 TRP A 79 -1.571 -4.606 -3.327 1.00 0.00 C ATOM 1276 NE1 TRP A 79 -2.499 -6.580 -2.956 1.00 0.00 N ATOM 1277 CE2 TRP A 79 -2.002 -5.499 -2.335 1.00 0.00 C ATOM 1278 CE3 TRP A 79 -1.005 -3.407 -2.936 1.00 0.00 C ATOM 1279 CZ2 TRP A 79 -1.886 -5.231 -0.989 1.00 0.00 C ATOM 1280 CZ3 TRP A 79 -0.893 -3.139 -1.593 1.00 0.00 C ATOM 1281 CH2 TRP A 79 -1.333 -4.049 -0.641 1.00 0.00 C ATOM 0 H TRP A 79 -3.725 -5.739 -6.915 1.00 0.00 H new ATOM 0 HA TRP A 79 -2.937 -3.068 -6.021 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.248 -5.502 -6.603 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -0.713 -3.991 -5.895 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.778 -7.107 -5.036 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -2.874 -7.407 -2.491 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -0.658 -2.696 -3.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.223 -5.936 -0.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -0.455 -2.205 -1.273 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -1.230 -3.805 0.406 1.00 0.00 H new ATOM 1292 N ILE A 80 -1.171 -3.063 -8.212 1.00 0.00 N ATOM 1293 CA ILE A 80 -0.717 -2.628 -9.509 1.00 0.00 C ATOM 1294 C ILE A 80 0.050 -3.735 -10.247 1.00 0.00 C ATOM 1295 O ILE A 80 -0.012 -3.838 -11.465 1.00 0.00 O ATOM 1296 CB ILE A 80 0.193 -1.382 -9.403 1.00 0.00 C ATOM 1297 CG1 ILE A 80 1.469 -1.715 -8.627 1.00 0.00 C ATOM 1298 CG2 ILE A 80 -0.560 -0.260 -8.706 1.00 0.00 C ATOM 1299 CD1 ILE A 80 2.529 -0.656 -8.711 1.00 0.00 C ATOM 0 H ILE A 80 -0.471 -2.997 -7.473 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.614 -2.376 -10.075 1.00 0.00 H new ATOM 0 HB ILE A 80 0.473 -1.063 -10.407 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.213 -1.876 -7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.877 -2.653 -9.004 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.082 0.618 -8.632 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.452 -0.009 -9.280 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.850 -0.583 -7.706 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.401 -0.967 -8.135 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.815 -0.510 -9.752 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.142 0.279 -8.306 1.00 0.00 H new ATOM 1311 N ASN A 81 0.713 -4.594 -9.496 1.00 0.00 N ATOM 1312 CA ASN A 81 1.673 -5.539 -10.076 1.00 0.00 C ATOM 1313 C ASN A 81 1.074 -6.903 -10.367 1.00 0.00 C ATOM 1314 O ASN A 81 1.781 -7.814 -10.798 1.00 0.00 O ATOM 1315 CB ASN A 81 2.881 -5.715 -9.148 1.00 0.00 C ATOM 1316 CG ASN A 81 2.544 -6.440 -7.865 1.00 0.00 C ATOM 1317 OD1 ASN A 81 1.409 -6.388 -7.382 1.00 0.00 O ATOM 1318 ND2 ASN A 81 3.514 -7.094 -7.290 1.00 0.00 N ATOM 0 H ASN A 81 0.611 -4.664 -8.484 1.00 0.00 H new ATOM 0 HA ASN A 81 1.980 -5.105 -11.027 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.659 -6.266 -9.676 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.292 -4.735 -8.907 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.348 -7.585 -6.411 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.439 -7.115 -7.719 1.00 0.00 H new ATOM 1325 N GLY A 82 -0.200 -7.066 -10.118 1.00 0.00 N ATOM 1326 CA GLY A 82 -0.808 -8.358 -10.364 1.00 0.00 C ATOM 1327 C GLY A 82 -1.033 -9.154 -9.088 1.00 0.00 C ATOM 1328 O GLY A 82 -1.333 -10.358 -9.129 1.00 0.00 O ATOM 0 H GLY A 82 -0.826 -6.346 -9.756 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.762 -8.215 -10.871 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.172 -8.932 -11.038 1.00 0.00 H new ATOM 1332 N SER A 83 -0.841 -8.514 -7.957 1.00 0.00 N ATOM 1333 CA SER A 83 -1.003 -9.160 -6.676 1.00 0.00 C ATOM 1334 C SER A 83 -2.504 -9.182 -6.267 1.00 0.00 C ATOM 1335 O SER A 83 -3.397 -8.899 -7.072 1.00 0.00 O ATOM 1336 CB SER A 83 -0.148 -8.426 -5.625 1.00 0.00 C ATOM 1337 OG SER A 83 -0.011 -9.183 -4.433 1.00 0.00 O ATOM 0 H SER A 83 -0.569 -7.533 -7.900 1.00 0.00 H new ATOM 0 HA SER A 83 -0.665 -10.194 -6.742 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.839 -8.220 -6.040 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.604 -7.464 -5.394 1.00 0.00 H new ATOM 0 HG SER A 83 -0.103 -10.137 -4.639 1.00 0.00 H new ATOM 1343 N THR A 84 -2.772 -9.541 -5.039 1.00 0.00 N ATOM 1344 CA THR A 84 -4.113 -9.637 -4.521 1.00 0.00 C ATOM 1345 C THR A 84 -4.058 -9.293 -3.023 1.00 0.00 C ATOM 1346 O THR A 84 -3.182 -9.789 -2.319 1.00 0.00 O ATOM 1347 CB THR A 84 -4.639 -11.072 -4.737 1.00 0.00 C ATOM 1348 OG1 THR A 84 -4.511 -11.407 -6.130 1.00 0.00 O ATOM 1349 CG2 THR A 84 -6.090 -11.191 -4.346 1.00 0.00 C ATOM 0 H THR A 84 -2.051 -9.779 -4.358 1.00 0.00 H new ATOM 0 HA THR A 84 -4.787 -8.949 -5.032 1.00 0.00 H new ATOM 0 HB THR A 84 -4.055 -11.749 -4.113 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.216 -12.040 -6.380 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.428 -12.214 -4.511 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.205 -10.936 -3.293 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.687 -10.509 -4.952 1.00 0.00 H new ATOM 1357 N LEU A 85 -4.909 -8.355 -2.594 1.00 0.00 N ATOM 1358 CA LEU A 85 -4.946 -7.868 -1.198 1.00 0.00 C ATOM 1359 C LEU A 85 -5.144 -8.954 -0.165 1.00 0.00 C ATOM 1360 O LEU A 85 -6.162 -9.645 -0.163 1.00 0.00 O ATOM 1361 CB LEU A 85 -6.062 -6.830 -0.990 1.00 0.00 C ATOM 1362 CG LEU A 85 -6.304 -6.414 0.483 1.00 0.00 C ATOM 1363 CD1 LEU A 85 -5.139 -5.619 1.042 1.00 0.00 C ATOM 1364 CD2 LEU A 85 -7.605 -5.660 0.644 1.00 0.00 C ATOM 0 H LEU A 85 -5.596 -7.907 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.961 -7.426 -1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.820 -5.938 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.991 -7.231 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.382 -7.334 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.348 -5.346 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.233 -6.224 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.998 -4.715 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.739 -5.385 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.581 -4.758 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.434 -6.292 0.326 1.00 0.00 H new ATOM 1376 N ASN A 86 -4.195 -9.060 0.745 1.00 0.00 N ATOM 1377 CA ASN A 86 -4.384 -9.905 1.884 1.00 0.00 C ATOM 1378 C ASN A 86 -5.148 -9.127 2.914 1.00 0.00 C ATOM 1379 O ASN A 86 -4.580 -8.341 3.688 1.00 0.00 O ATOM 1380 CB ASN A 86 -3.085 -10.436 2.473 1.00 0.00 C ATOM 1381 CG ASN A 86 -3.330 -11.384 3.644 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -4.387 -12.019 3.743 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -2.349 -11.525 4.497 1.00 0.00 N ATOM 0 H ASN A 86 -3.299 -8.574 0.710 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.937 -10.787 1.562 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.522 -10.956 1.698 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.470 -9.600 2.807 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.441 -12.176 5.277 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.492 -10.984 4.383 1.00 0.00 H new ATOM 1390 N SER A 87 -6.438 -9.295 2.870 1.00 0.00 N ATOM 1391 CA SER A 87 -7.379 -8.638 3.740 1.00 0.00 C ATOM 1392 C SER A 87 -7.073 -8.888 5.226 1.00 0.00 C ATOM 1393 O SER A 87 -7.425 -8.082 6.084 1.00 0.00 O ATOM 1394 CB SER A 87 -8.743 -9.186 3.407 1.00 0.00 C ATOM 1395 OG SER A 87 -8.926 -9.243 1.995 1.00 0.00 O ATOM 0 H SER A 87 -6.885 -9.920 2.199 1.00 0.00 H new ATOM 0 HA SER A 87 -7.321 -7.561 3.585 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.856 -10.182 3.835 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.513 -8.558 3.855 1.00 0.00 H new ATOM 0 HG SER A 87 -9.870 -9.413 1.794 1.00 0.00 H new ATOM 1401 N ASP A 88 -6.381 -9.974 5.511 1.00 0.00 N ATOM 1402 CA ASP A 88 -6.101 -10.385 6.877 1.00 0.00 C ATOM 1403 C ASP A 88 -5.016 -9.572 7.551 1.00 0.00 C ATOM 1404 O ASP A 88 -4.658 -9.864 8.695 1.00 0.00 O ATOM 1405 CB ASP A 88 -5.759 -11.872 6.956 1.00 0.00 C ATOM 1406 CG ASP A 88 -6.942 -12.759 6.707 1.00 0.00 C ATOM 1407 OD1 ASP A 88 -7.221 -13.096 5.545 1.00 0.00 O ATOM 1408 OD2 ASP A 88 -7.618 -13.149 7.674 1.00 0.00 O ATOM 0 H ASP A 88 -5.996 -10.598 4.802 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.025 -10.195 7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.981 -12.100 6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.347 -12.093 7.941 1.00 0.00 H new ATOM 1413 N VAL A 89 -4.457 -8.572 6.878 1.00 0.00 N ATOM 1414 CA VAL A 89 -3.468 -7.776 7.532 1.00 0.00 C ATOM 1415 C VAL A 89 -4.086 -6.773 8.524 1.00 0.00 C ATOM 1416 O VAL A 89 -3.771 -6.829 9.707 1.00 0.00 O ATOM 1417 CB VAL A 89 -2.439 -7.094 6.567 1.00 0.00 C ATOM 1418 CG1 VAL A 89 -1.749 -8.131 5.712 1.00 0.00 C ATOM 1419 CG2 VAL A 89 -3.060 -6.029 5.685 1.00 0.00 C ATOM 0 H VAL A 89 -4.672 -8.312 5.915 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.880 -8.488 8.110 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.710 -6.593 7.203 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.038 -7.640 5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.220 -8.837 6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.491 -8.665 5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.293 -5.597 5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.841 -6.476 5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.493 -5.247 6.309 1.00 0.00 H new ATOM 1429 N LEU A 90 -5.016 -5.917 8.058 1.00 0.00 N ATOM 1430 CA LEU A 90 -5.568 -4.812 8.869 1.00 0.00 C ATOM 1431 C LEU A 90 -6.903 -4.341 8.308 1.00 0.00 C ATOM 1432 O LEU A 90 -7.403 -4.901 7.328 1.00 0.00 O ATOM 1433 CB LEU A 90 -4.597 -3.619 8.895 1.00 0.00 C ATOM 1434 CG LEU A 90 -3.255 -3.839 9.585 1.00 0.00 C ATOM 1435 CD1 LEU A 90 -2.347 -2.647 9.361 1.00 0.00 C ATOM 1436 CD2 LEU A 90 -3.447 -4.061 11.080 1.00 0.00 C ATOM 0 H LEU A 90 -5.404 -5.970 7.116 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.712 -5.191 9.881 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.404 -3.316 7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.098 -2.784 9.385 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.795 -4.728 9.154 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.393 -2.818 9.859 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.180 -2.513 8.292 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.815 -1.751 9.770 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.477 -4.216 11.552 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.929 -3.187 11.519 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.073 -4.939 11.240 1.00 0.00 H new ATOM 1448 N LYS A 91 -7.467 -3.309 8.945 1.00 0.00 N ATOM 1449 CA LYS A 91 -8.750 -2.738 8.571 1.00 0.00 C ATOM 1450 C LYS A 91 -8.790 -2.137 7.191 1.00 0.00 C ATOM 1451 O LYS A 91 -8.095 -1.174 6.887 1.00 0.00 O ATOM 1452 CB LYS A 91 -9.258 -1.710 9.567 1.00 0.00 C ATOM 1453 CG LYS A 91 -8.306 -0.555 9.860 1.00 0.00 C ATOM 1454 CD LYS A 91 -8.909 0.505 10.796 1.00 0.00 C ATOM 1455 CE LYS A 91 -9.988 1.403 10.145 1.00 0.00 C ATOM 1456 NZ LYS A 91 -11.263 0.707 9.852 1.00 0.00 N ATOM 0 H LYS A 91 -7.034 -2.846 9.744 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.412 -3.604 8.575 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.196 -1.299 9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.484 -2.218 10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.394 -0.949 10.308 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.021 -0.081 8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.346 0.002 11.659 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.105 1.139 11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.191 2.245 10.806 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.590 1.815 9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.056 1.368 9.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.252 0.362 8.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.376 -0.098 10.501 1.00 0.00 H new ATOM 1470 N ILE A 92 -9.608 -2.727 6.375 1.00 0.00 N ATOM 1471 CA ILE A 92 -9.900 -2.288 5.047 1.00 0.00 C ATOM 1472 C ILE A 92 -11.349 -2.706 4.815 1.00 0.00 C ATOM 1473 O ILE A 92 -11.746 -3.779 5.260 1.00 0.00 O ATOM 1474 CB ILE A 92 -8.989 -3.022 4.009 1.00 0.00 C ATOM 1475 CG1 ILE A 92 -7.513 -2.803 4.378 1.00 0.00 C ATOM 1476 CG2 ILE A 92 -9.283 -2.548 2.590 1.00 0.00 C ATOM 1477 CD1 ILE A 92 -6.516 -3.147 3.302 1.00 0.00 C ATOM 0 H ILE A 92 -10.117 -3.573 6.632 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.734 -1.217 4.931 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.203 -4.090 4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.377 -1.757 4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.286 -3.398 5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.635 -3.075 1.889 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -10.325 -2.754 2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.099 -1.476 2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.507 -2.956 3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.613 -4.200 3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.706 -2.534 2.421 1.00 0.00 H new ATOM 1489 N THR A 93 -12.151 -1.875 4.224 1.00 0.00 N ATOM 1490 CA THR A 93 -13.515 -2.262 3.941 1.00 0.00 C ATOM 1491 C THR A 93 -13.534 -2.957 2.593 1.00 0.00 C ATOM 1492 O THR A 93 -12.829 -2.538 1.681 1.00 0.00 O ATOM 1493 CB THR A 93 -14.432 -1.032 3.921 1.00 0.00 C ATOM 1494 OG1 THR A 93 -14.247 -0.316 5.145 1.00 0.00 O ATOM 1495 CG2 THR A 93 -15.901 -1.423 3.796 1.00 0.00 C ATOM 0 H THR A 93 -11.897 -0.933 3.928 1.00 0.00 H new ATOM 0 HA THR A 93 -13.881 -2.934 4.717 1.00 0.00 H new ATOM 0 HB THR A 93 -14.173 -0.420 3.057 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.450 0.250 5.076 1.00 0.00 H new ATOM 0 HG21 THR A 93 -16.517 -0.524 3.785 1.00 0.00 H new ATOM 0 HG22 THR A 93 -16.052 -1.978 2.870 1.00 0.00 H new ATOM 0 HG23 THR A 93 -16.185 -2.047 4.643 1.00 0.00 H new ATOM 1503 N GLY A 94 -14.323 -3.994 2.456 1.00 0.00 N ATOM 1504 CA GLY A 94 -14.306 -4.721 1.244 1.00 0.00 C ATOM 1505 C GLY A 94 -15.251 -4.109 0.302 1.00 0.00 C ATOM 1506 O GLY A 94 -14.851 -3.485 -0.679 1.00 0.00 O ATOM 0 H GLY A 94 -14.970 -4.338 3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.301 -4.723 0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.577 -5.761 1.426 1.00 0.00 H new ATOM 1510 N ASP A 95 -16.498 -4.217 0.602 1.00 0.00 N ATOM 1511 CA ASP A 95 -17.468 -3.596 -0.214 1.00 0.00 C ATOM 1512 C ASP A 95 -17.801 -2.203 0.280 1.00 0.00 C ATOM 1513 O ASP A 95 -18.684 -1.984 1.095 1.00 0.00 O ATOM 1514 CB ASP A 95 -18.702 -4.470 -0.511 1.00 0.00 C ATOM 1515 CG ASP A 95 -19.489 -4.887 0.714 1.00 0.00 C ATOM 1516 OD1 ASP A 95 -19.054 -5.826 1.432 1.00 0.00 O ATOM 1517 OD2 ASP A 95 -20.568 -4.293 0.977 1.00 0.00 O ATOM 0 H ASP A 95 -16.865 -4.729 1.405 1.00 0.00 H new ATOM 0 HA ASP A 95 -17.008 -3.475 -1.195 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -19.364 -3.924 -1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -18.377 -5.366 -1.040 1.00 0.00 H new ATOM 1522 N THR A 96 -16.993 -1.275 -0.150 1.00 0.00 N ATOM 1523 CA THR A 96 -17.209 0.116 0.161 1.00 0.00 C ATOM 1524 C THR A 96 -17.842 0.816 -1.025 1.00 0.00 C ATOM 1525 O THR A 96 -18.574 1.791 -0.866 1.00 0.00 O ATOM 1526 CB THR A 96 -15.917 0.843 0.667 1.00 0.00 C ATOM 1527 OG1 THR A 96 -16.146 2.242 0.824 1.00 0.00 O ATOM 1528 CG2 THR A 96 -14.738 0.628 -0.267 1.00 0.00 C ATOM 0 H THR A 96 -16.169 -1.457 -0.723 1.00 0.00 H new ATOM 0 HA THR A 96 -17.902 0.164 1.001 1.00 0.00 H new ATOM 0 HB THR A 96 -15.672 0.404 1.634 1.00 0.00 H new ATOM 0 HG1 THR A 96 -15.472 2.743 0.319 1.00 0.00 H new ATOM 0 HG21 THR A 96 -13.864 1.150 0.124 1.00 0.00 H new ATOM 0 HG22 THR A 96 -14.521 -0.438 -0.340 1.00 0.00 H new ATOM 0 HG23 THR A 96 -14.981 1.017 -1.256 1.00 0.00 H new ATOM 1536 N GLU A 97 -17.584 0.269 -2.212 1.00 0.00 N ATOM 1537 CA GLU A 97 -18.184 0.720 -3.459 1.00 0.00 C ATOM 1538 C GLU A 97 -17.876 2.216 -3.753 1.00 0.00 C ATOM 1539 O GLU A 97 -18.732 2.964 -4.207 1.00 0.00 O ATOM 1540 CB GLU A 97 -19.692 0.424 -3.411 1.00 0.00 C ATOM 1541 CG GLU A 97 -19.974 -1.013 -2.955 1.00 0.00 C ATOM 1542 CD GLU A 97 -21.416 -1.411 -3.061 1.00 0.00 C ATOM 1543 OE1 GLU A 97 -21.956 -1.427 -4.163 1.00 0.00 O ATOM 1544 OE2 GLU A 97 -22.050 -1.709 -2.021 1.00 0.00 O ATOM 0 H GLU A 97 -16.941 -0.513 -2.332 1.00 0.00 H new ATOM 0 HA GLU A 97 -17.743 0.173 -4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -20.179 1.124 -2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -20.126 0.584 -4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -19.373 -1.698 -3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -19.651 -1.126 -1.920 1.00 0.00 H new ATOM 1551 N ASN A 98 -16.622 2.614 -3.537 1.00 0.00 N ATOM 1552 CA ASN A 98 -16.192 4.002 -3.773 1.00 0.00 C ATOM 1553 C ASN A 98 -15.021 4.087 -4.757 1.00 0.00 C ATOM 1554 O ASN A 98 -14.566 3.074 -5.295 1.00 0.00 O ATOM 1555 CB ASN A 98 -15.826 4.730 -2.457 1.00 0.00 C ATOM 1556 CG ASN A 98 -17.029 5.207 -1.661 1.00 0.00 C ATOM 1557 OD1 ASN A 98 -17.518 6.313 -1.870 1.00 0.00 O ATOM 1558 ND2 ASN A 98 -17.481 4.427 -0.721 1.00 0.00 N ATOM 0 H ASN A 98 -15.882 1.998 -3.199 1.00 0.00 H new ATOM 0 HA ASN A 98 -17.049 4.507 -4.218 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -15.234 4.059 -1.835 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -15.195 5.587 -2.691 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -18.260 4.731 -0.137 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -17.056 3.512 -0.569 1.00 0.00 H new ATOM 1565 N ASP A 99 -14.542 5.308 -4.969 1.00 0.00 N ATOM 1566 CA ASP A 99 -13.416 5.663 -5.887 1.00 0.00 C ATOM 1567 C ASP A 99 -12.086 5.632 -5.099 1.00 0.00 C ATOM 1568 O ASP A 99 -11.109 6.301 -5.424 1.00 0.00 O ATOM 1569 CB ASP A 99 -13.689 7.095 -6.427 1.00 0.00 C ATOM 1570 CG ASP A 99 -12.747 7.561 -7.529 1.00 0.00 C ATOM 1571 OD1 ASP A 99 -12.736 6.940 -8.620 1.00 0.00 O ATOM 1572 OD2 ASP A 99 -12.074 8.613 -7.362 1.00 0.00 O ATOM 0 H ASP A 99 -14.929 6.125 -4.497 1.00 0.00 H new ATOM 0 HA ASP A 99 -13.343 4.956 -6.714 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -14.711 7.136 -6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -13.627 7.798 -5.596 1.00 0.00 H new ATOM 1577 N SER A 100 -12.070 4.826 -4.077 1.00 0.00 N ATOM 1578 CA SER A 100 -11.003 4.799 -3.119 1.00 0.00 C ATOM 1579 C SER A 100 -9.761 3.969 -3.529 1.00 0.00 C ATOM 1580 O SER A 100 -9.830 3.026 -4.323 1.00 0.00 O ATOM 1581 CB SER A 100 -11.568 4.270 -1.815 1.00 0.00 C ATOM 1582 OG SER A 100 -12.684 5.050 -1.406 1.00 0.00 O ATOM 0 H SER A 100 -12.814 4.155 -3.882 1.00 0.00 H new ATOM 0 HA SER A 100 -10.632 5.820 -3.033 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.869 3.229 -1.937 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.799 4.291 -1.043 1.00 0.00 H new ATOM 0 HG SER A 100 -13.039 4.696 -0.564 1.00 0.00 H new ATOM 1588 N CYS A 101 -8.652 4.386 -2.986 1.00 0.00 N ATOM 1589 CA CYS A 101 -7.387 3.701 -3.001 1.00 0.00 C ATOM 1590 C CYS A 101 -6.905 3.745 -1.559 1.00 0.00 C ATOM 1591 O CYS A 101 -7.244 4.696 -0.834 1.00 0.00 O ATOM 1592 CB CYS A 101 -6.377 4.389 -3.937 1.00 0.00 C ATOM 1593 SG CYS A 101 -6.734 4.191 -5.723 1.00 0.00 S ATOM 0 H CYS A 101 -8.603 5.274 -2.487 1.00 0.00 H new ATOM 0 HA CYS A 101 -7.487 2.682 -3.376 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -6.350 5.453 -3.701 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -5.383 3.991 -3.732 1.00 0.00 H new ATOM 1598 N ALA A 102 -6.186 2.757 -1.111 1.00 0.00 N ATOM 1599 CA ALA A 102 -5.825 2.713 0.289 1.00 0.00 C ATOM 1600 C ALA A 102 -4.442 3.314 0.563 1.00 0.00 C ATOM 1601 O ALA A 102 -3.538 3.282 -0.294 1.00 0.00 O ATOM 1602 CB ALA A 102 -6.001 1.302 0.888 1.00 0.00 C ATOM 0 H ALA A 102 -5.840 1.982 -1.676 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.530 3.357 0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.718 1.316 1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.043 0.995 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.366 0.597 0.351 1.00 0.00 H new ATOM 1608 N ALA A 103 -4.297 3.856 1.753 1.00 0.00 N ATOM 1609 CA ALA A 103 -3.096 4.502 2.210 1.00 0.00 C ATOM 1610 C ALA A 103 -2.872 4.187 3.685 1.00 0.00 C ATOM 1611 O ALA A 103 -3.833 3.995 4.445 1.00 0.00 O ATOM 1612 CB ALA A 103 -3.199 6.026 2.026 1.00 0.00 C ATOM 0 H ALA A 103 -5.042 3.856 2.450 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.257 4.130 1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.281 6.498 2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.344 6.256 0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.045 6.405 2.600 1.00 0.00 H new ATOM 1618 N ILE A 104 -1.625 4.118 4.066 1.00 0.00 N ATOM 1619 CA ILE A 104 -1.213 3.951 5.450 1.00 0.00 C ATOM 1620 C ILE A 104 -1.354 5.282 6.113 1.00 0.00 C ATOM 1621 O ILE A 104 -0.745 6.262 5.680 1.00 0.00 O ATOM 1622 CB ILE A 104 0.277 3.474 5.536 1.00 0.00 C ATOM 1623 CG1 ILE A 104 0.427 2.008 5.089 1.00 0.00 C ATOM 1624 CG2 ILE A 104 0.887 3.686 6.944 1.00 0.00 C ATOM 1625 CD1 ILE A 104 -0.058 1.001 6.104 1.00 0.00 C ATOM 0 H ILE A 104 -0.843 4.177 3.414 1.00 0.00 H new ATOM 0 HA ILE A 104 -1.830 3.196 5.938 1.00 0.00 H new ATOM 0 HB ILE A 104 0.841 4.100 4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.124 1.865 4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.477 1.811 4.871 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.920 3.339 6.949 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.859 4.746 7.197 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.312 3.123 7.678 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.082 -0.007 5.713 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.509 1.114 7.028 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.116 1.168 6.305 1.00 0.00 H new ATOM 1637 N SER A 105 -2.189 5.333 7.089 1.00 0.00 N ATOM 1638 CA SER A 105 -2.408 6.518 7.819 1.00 0.00 C ATOM 1639 C SER A 105 -2.661 6.100 9.247 1.00 0.00 C ATOM 1640 O SER A 105 -3.746 5.624 9.595 1.00 0.00 O ATOM 1641 CB SER A 105 -3.591 7.297 7.224 1.00 0.00 C ATOM 1642 OG SER A 105 -3.643 8.635 7.698 1.00 0.00 O ATOM 0 H SER A 105 -2.745 4.538 7.403 1.00 0.00 H new ATOM 0 HA SER A 105 -1.550 7.188 7.774 1.00 0.00 H new ATOM 0 HB2 SER A 105 -3.512 7.301 6.137 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.522 6.788 7.474 1.00 0.00 H new ATOM 0 HG SER A 105 -3.433 9.250 6.965 1.00 0.00 H new ATOM 1648 N GLY A 106 -1.629 6.161 10.023 1.00 0.00 N ATOM 1649 CA GLY A 106 -1.690 5.763 11.395 1.00 0.00 C ATOM 1650 C GLY A 106 -1.110 4.386 11.546 1.00 0.00 C ATOM 1651 O GLY A 106 -0.119 4.058 10.894 1.00 0.00 O ATOM 0 H GLY A 106 -0.712 6.491 9.722 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.139 6.471 12.014 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.723 5.773 11.742 1.00 0.00 H new ATOM 1655 N ASP A 107 -1.720 3.580 12.375 1.00 0.00 N ATOM 1656 CA ASP A 107 -1.304 2.180 12.558 1.00 0.00 C ATOM 1657 C ASP A 107 -2.215 1.296 11.749 1.00 0.00 C ATOM 1658 O ASP A 107 -2.198 0.069 11.877 1.00 0.00 O ATOM 1659 CB ASP A 107 -1.428 1.734 14.027 1.00 0.00 C ATOM 1660 CG ASP A 107 -0.479 2.403 14.990 1.00 0.00 C ATOM 1661 OD1 ASP A 107 -0.810 3.471 15.521 1.00 0.00 O ATOM 1662 OD2 ASP A 107 0.594 1.833 15.280 1.00 0.00 O ATOM 0 H ASP A 107 -2.517 3.856 12.948 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.263 2.100 12.244 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.449 1.921 14.361 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.269 0.657 14.076 1.00 0.00 H new ATOM 1667 N LYS A 108 -3.028 1.911 10.932 1.00 0.00 N ATOM 1668 CA LYS A 108 -4.056 1.208 10.213 1.00 0.00 C ATOM 1669 C LYS A 108 -3.958 1.518 8.744 1.00 0.00 C ATOM 1670 O LYS A 108 -3.174 2.384 8.323 1.00 0.00 O ATOM 1671 CB LYS A 108 -5.438 1.675 10.685 1.00 0.00 C ATOM 1672 CG LYS A 108 -5.653 1.710 12.191 1.00 0.00 C ATOM 1673 CD LYS A 108 -5.486 0.350 12.851 1.00 0.00 C ATOM 1674 CE LYS A 108 -5.714 0.440 14.357 1.00 0.00 C ATOM 1675 NZ LYS A 108 -4.788 1.399 15.015 1.00 0.00 N ATOM 0 H LYS A 108 -2.996 2.913 10.746 1.00 0.00 H new ATOM 0 HA LYS A 108 -3.926 0.141 10.393 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.616 2.675 10.289 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.190 1.020 10.246 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.948 2.412 12.636 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.654 2.088 12.400 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -6.190 -0.358 12.415 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.485 -0.033 12.654 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -6.743 0.744 14.548 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -5.585 -0.547 14.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -5.323 2.004 15.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.062 0.874 15.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -4.330 1.991 14.293 1.00 0.00 H new ATOM 1689 N VAL A 109 -4.766 0.846 7.977 1.00 0.00 N ATOM 1690 CA VAL A 109 -4.876 1.120 6.587 1.00 0.00 C ATOM 1691 C VAL A 109 -6.148 1.915 6.440 1.00 0.00 C ATOM 1692 O VAL A 109 -7.147 1.615 7.094 1.00 0.00 O ATOM 1693 CB VAL A 109 -4.994 -0.164 5.726 1.00 0.00 C ATOM 1694 CG1 VAL A 109 -4.759 0.151 4.259 1.00 0.00 C ATOM 1695 CG2 VAL A 109 -4.058 -1.253 6.211 1.00 0.00 C ATOM 0 H VAL A 109 -5.367 0.090 8.306 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.984 1.643 6.242 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.010 -0.544 5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.846 -0.763 3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.501 0.873 3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.761 0.570 4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.170 -2.136 5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.029 -0.898 6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.301 -1.509 7.242 1.00 0.00 H new ATOM 1705 N THR A 110 -6.107 2.926 5.667 1.00 0.00 N ATOM 1706 CA THR A 110 -7.247 3.768 5.459 1.00 0.00 C ATOM 1707 C THR A 110 -7.423 3.915 3.963 1.00 0.00 C ATOM 1708 O THR A 110 -6.574 3.455 3.227 1.00 0.00 O ATOM 1709 CB THR A 110 -7.023 5.144 6.136 1.00 0.00 C ATOM 1710 OG1 THR A 110 -5.779 5.704 5.674 1.00 0.00 O ATOM 1711 CG2 THR A 110 -6.973 5.007 7.668 1.00 0.00 C ATOM 0 H THR A 110 -5.277 3.209 5.147 1.00 0.00 H new ATOM 0 HA THR A 110 -8.144 3.336 5.902 1.00 0.00 H new ATOM 0 HB THR A 110 -7.856 5.796 5.872 1.00 0.00 H new ATOM 0 HG1 THR A 110 -5.289 5.031 5.157 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.815 5.988 8.116 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.915 4.592 8.027 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.154 4.344 7.947 1.00 0.00 H new ATOM 1719 N PHE A 111 -8.484 4.515 3.505 1.00 0.00 N ATOM 1720 CA PHE A 111 -8.692 4.659 2.085 1.00 0.00 C ATOM 1721 C PHE A 111 -9.455 5.919 1.740 1.00 0.00 C ATOM 1722 O PHE A 111 -10.355 6.339 2.462 1.00 0.00 O ATOM 1723 CB PHE A 111 -9.338 3.397 1.468 1.00 0.00 C ATOM 1724 CG PHE A 111 -10.580 2.911 2.158 1.00 0.00 C ATOM 1725 CD1 PHE A 111 -11.821 3.406 1.812 1.00 0.00 C ATOM 1726 CD2 PHE A 111 -10.498 1.950 3.154 1.00 0.00 C ATOM 1727 CE1 PHE A 111 -12.958 2.964 2.446 1.00 0.00 C ATOM 1728 CE2 PHE A 111 -11.629 1.504 3.788 1.00 0.00 C ATOM 1729 CZ PHE A 111 -12.864 2.013 3.435 1.00 0.00 C ATOM 0 H PHE A 111 -9.219 4.913 4.089 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.706 4.764 1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.579 3.605 0.425 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.602 2.593 1.471 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -11.900 4.150 1.033 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -9.535 1.549 3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -13.923 3.363 2.168 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -11.555 0.755 4.563 1.00 0.00 H new ATOM 0 HZ PHE A 111 -13.755 1.664 3.936 1.00 0.00 H new ATOM 1739 N GLU A 112 -9.074 6.518 0.653 1.00 0.00 N ATOM 1740 CA GLU A 112 -9.664 7.738 0.173 1.00 0.00 C ATOM 1741 C GLU A 112 -9.531 7.805 -1.317 1.00 0.00 C ATOM 1742 O GLU A 112 -8.911 6.922 -1.910 1.00 0.00 O ATOM 1743 CB GLU A 112 -9.035 8.963 0.865 1.00 0.00 C ATOM 1744 CG GLU A 112 -7.526 8.905 1.033 1.00 0.00 C ATOM 1745 CD GLU A 112 -7.033 10.001 1.934 1.00 0.00 C ATOM 1746 OE1 GLU A 112 -7.045 9.819 3.170 1.00 0.00 O ATOM 1747 OE2 GLU A 112 -6.640 11.085 1.426 1.00 0.00 O ATOM 0 H GLU A 112 -8.325 6.165 0.057 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.725 7.749 0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.287 9.854 0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -9.490 9.079 1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.241 7.937 1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -7.046 8.990 0.058 1.00 0.00 H new ATOM 1754 N SER A 113 -10.142 8.797 -1.918 1.00 0.00 N ATOM 1755 CA SER A 113 -10.081 9.021 -3.340 1.00 0.00 C ATOM 1756 C SER A 113 -8.629 9.097 -3.791 1.00 0.00 C ATOM 1757 O SER A 113 -7.861 9.875 -3.260 1.00 0.00 O ATOM 1758 CB SER A 113 -10.815 10.311 -3.617 1.00 0.00 C ATOM 1759 OG SER A 113 -12.129 10.236 -3.063 1.00 0.00 O ATOM 0 H SER A 113 -10.707 9.485 -1.421 1.00 0.00 H new ATOM 0 HA SER A 113 -10.545 8.204 -3.893 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.273 11.151 -3.183 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.871 10.488 -4.691 1.00 0.00 H new ATOM 0 HG SER A 113 -12.607 11.073 -3.240 1.00 0.00 H new ATOM 1765 N CYS A 114 -8.274 8.288 -4.778 1.00 0.00 N ATOM 1766 CA CYS A 114 -6.885 8.131 -5.263 1.00 0.00 C ATOM 1767 C CYS A 114 -6.273 9.468 -5.732 1.00 0.00 C ATOM 1768 O CYS A 114 -5.048 9.599 -5.872 1.00 0.00 O ATOM 1769 CB CYS A 114 -6.890 7.147 -6.428 1.00 0.00 C ATOM 1770 SG CYS A 114 -7.985 5.713 -6.163 1.00 0.00 S ATOM 0 H CYS A 114 -8.944 7.707 -5.282 1.00 0.00 H new ATOM 0 HA CYS A 114 -6.276 7.766 -4.436 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -7.201 7.669 -7.333 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -5.874 6.792 -6.598 1.00 0.00 H new ATOM 1775 N ASN A 115 -7.133 10.437 -5.958 1.00 0.00 N ATOM 1776 CA ASN A 115 -6.743 11.746 -6.429 1.00 0.00 C ATOM 1777 C ASN A 115 -6.366 12.711 -5.300 1.00 0.00 C ATOM 1778 O ASN A 115 -6.013 13.861 -5.588 1.00 0.00 O ATOM 1779 CB ASN A 115 -7.850 12.372 -7.297 1.00 0.00 C ATOM 1780 CG ASN A 115 -9.170 12.568 -6.560 1.00 0.00 C ATOM 1781 OD1 ASN A 115 -10.038 11.583 -6.614 1.00 0.00 O flip ATOM 1782 ND2 ASN A 115 -9.406 13.605 -5.949 1.00 0.00 N flip ATOM 0 H ASN A 115 -8.138 10.335 -5.817 1.00 0.00 H new ATOM 0 HA ASN A 115 -5.848 11.589 -7.030 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -7.505 13.337 -7.669 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -8.020 11.737 -8.166 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -8.712 14.352 -5.925 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -10.296 13.720 -5.465 1.00 0.00 H new ATOM 1789 N SER A 116 -6.451 12.295 -4.031 1.00 0.00 N ATOM 1790 CA SER A 116 -6.027 13.177 -2.969 1.00 0.00 C ATOM 1791 C SER A 116 -4.490 13.262 -2.926 1.00 0.00 C ATOM 1792 O SER A 116 -3.789 12.343 -3.395 1.00 0.00 O ATOM 1793 CB SER A 116 -6.646 12.771 -1.617 1.00 0.00 C ATOM 1794 OG SER A 116 -6.440 11.413 -1.319 1.00 0.00 O ATOM 0 H SER A 116 -6.799 11.383 -3.733 1.00 0.00 H new ATOM 0 HA SER A 116 -6.398 14.181 -3.177 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.215 13.383 -0.825 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.716 12.978 -1.634 1.00 0.00 H new ATOM 0 HG SER A 116 -6.537 11.271 -0.354 1.00 0.00 H new ATOM 1800 N ASP A 117 -3.970 14.356 -2.417 1.00 0.00 N ATOM 1801 CA ASP A 117 -2.535 14.562 -2.401 1.00 0.00 C ATOM 1802 C ASP A 117 -1.946 14.029 -1.106 1.00 0.00 C ATOM 1803 O ASP A 117 -2.059 14.647 -0.042 1.00 0.00 O ATOM 1804 CB ASP A 117 -2.203 16.045 -2.603 1.00 0.00 C ATOM 1805 CG ASP A 117 -0.733 16.308 -2.816 1.00 0.00 C ATOM 1806 OD1 ASP A 117 -0.161 15.781 -3.786 1.00 0.00 O ATOM 1807 OD2 ASP A 117 -0.140 17.117 -2.064 1.00 0.00 O ATOM 0 H ASP A 117 -4.515 15.116 -2.009 1.00 0.00 H new ATOM 0 HA ASP A 117 -2.086 14.010 -3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -2.759 16.420 -3.462 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -2.542 16.607 -1.733 1.00 0.00 H new ATOM 1812 N ASN A 118 -1.352 12.870 -1.196 1.00 0.00 N ATOM 1813 CA ASN A 118 -0.795 12.165 -0.042 1.00 0.00 C ATOM 1814 C ASN A 118 0.559 11.641 -0.390 1.00 0.00 C ATOM 1815 O ASN A 118 0.936 11.635 -1.536 1.00 0.00 O ATOM 1816 CB ASN A 118 -1.686 10.982 0.383 1.00 0.00 C ATOM 1817 CG ASN A 118 -2.974 11.381 1.061 1.00 0.00 C ATOM 1818 OD1 ASN A 118 -3.038 12.378 1.771 1.00 0.00 O ATOM 1819 ND2 ASN A 118 -4.005 10.607 0.855 1.00 0.00 N ATOM 0 H ASN A 118 -1.233 12.371 -2.078 1.00 0.00 H new ATOM 0 HA ASN A 118 -0.737 12.871 0.786 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -1.923 10.387 -0.499 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -1.119 10.340 1.057 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.901 10.824 1.291 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.914 9.785 0.258 1.00 0.00 H new ATOM 1826 N ARG A 119 1.268 11.158 0.578 1.00 0.00 N ATOM 1827 CA ARG A 119 2.606 10.645 0.352 1.00 0.00 C ATOM 1828 C ARG A 119 2.461 9.212 -0.130 1.00 0.00 C ATOM 1829 O ARG A 119 1.343 8.750 -0.299 1.00 0.00 O ATOM 1830 CB ARG A 119 3.456 10.664 1.637 1.00 0.00 C ATOM 1831 CG ARG A 119 3.662 11.996 2.370 1.00 0.00 C ATOM 1832 CD ARG A 119 2.419 12.514 3.058 1.00 0.00 C ATOM 1833 NE ARG A 119 2.738 13.600 3.999 1.00 0.00 N ATOM 1834 CZ ARG A 119 2.026 14.720 4.196 1.00 0.00 C ATOM 1835 NH1 ARG A 119 1.030 15.038 3.378 1.00 0.00 N ATOM 1836 NH2 ARG A 119 2.358 15.546 5.192 1.00 0.00 N ATOM 0 H ARG A 119 0.951 11.102 1.546 1.00 0.00 H new ATOM 0 HA ARG A 119 3.113 11.274 -0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 119 3.003 9.967 2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.441 10.270 1.387 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.452 11.873 3.111 1.00 0.00 H new ATOM 0 HG3 ARG A 119 4.008 12.743 1.656 1.00 0.00 H new ATOM 0 HD2 ARG A 119 1.711 12.874 2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 119 1.931 11.699 3.593 1.00 0.00 H new ATOM 0 HE ARG A 119 3.585 13.490 4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 119 0.801 14.429 2.593 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.494 15.891 3.535 1.00 0.00 H new ATOM 0 HH21 ARG A 119 3.148 15.324 5.797 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.821 16.399 5.347 1.00 0.00 H new ATOM 1850 N TRP A 120 3.541 8.486 -0.314 1.00 0.00 N ATOM 1851 CA TRP A 120 3.400 7.129 -0.819 1.00 0.00 C ATOM 1852 C TRP A 120 4.559 6.255 -0.385 1.00 0.00 C ATOM 1853 O TRP A 120 5.572 6.749 0.105 1.00 0.00 O ATOM 1854 CB TRP A 120 3.250 7.120 -2.361 1.00 0.00 C ATOM 1855 CG TRP A 120 4.486 7.512 -3.114 1.00 0.00 C ATOM 1856 CD1 TRP A 120 5.404 6.664 -3.627 1.00 0.00 C ATOM 1857 CD2 TRP A 120 4.937 8.832 -3.441 1.00 0.00 C ATOM 1858 NE1 TRP A 120 6.403 7.360 -4.243 1.00 0.00 N ATOM 1859 CE2 TRP A 120 6.144 8.691 -4.149 1.00 0.00 C ATOM 1860 CE3 TRP A 120 4.446 10.111 -3.212 1.00 0.00 C ATOM 1861 CZ2 TRP A 120 6.865 9.775 -4.619 1.00 0.00 C ATOM 1862 CZ3 TRP A 120 5.167 11.187 -3.684 1.00 0.00 C ATOM 1863 CH2 TRP A 120 6.362 11.011 -4.380 1.00 0.00 C ATOM 0 H TRP A 120 4.496 8.793 -0.131 1.00 0.00 H new ATOM 0 HA TRP A 120 2.489 6.712 -0.389 1.00 0.00 H new ATOM 0 HB2 TRP A 120 2.950 6.121 -2.677 1.00 0.00 H new ATOM 0 HB3 TRP A 120 2.442 7.798 -2.638 1.00 0.00 H new ATOM 0 HD1 TRP A 120 5.354 5.587 -3.559 1.00 0.00 H new ATOM 0 HE1 TRP A 120 7.215 6.947 -4.701 1.00 0.00 H new ATOM 0 HE3 TRP A 120 3.520 10.259 -2.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 7.793 9.641 -5.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 4.798 12.187 -3.511 1.00 0.00 H new ATOM 0 HH2 TRP A 120 6.899 11.878 -4.736 1.00 0.00 H new ATOM 1874 N ILE A 121 4.403 4.968 -0.548 1.00 0.00 N ATOM 1875 CA ILE A 121 5.441 4.023 -0.222 1.00 0.00 C ATOM 1876 C ILE A 121 5.806 3.239 -1.457 1.00 0.00 C ATOM 1877 O ILE A 121 4.942 2.638 -2.111 1.00 0.00 O ATOM 1878 CB ILE A 121 4.999 3.037 0.888 1.00 0.00 C ATOM 1879 CG1 ILE A 121 4.672 3.793 2.162 1.00 0.00 C ATOM 1880 CG2 ILE A 121 6.101 2.008 1.167 1.00 0.00 C ATOM 1881 CD1 ILE A 121 3.867 2.988 3.147 1.00 0.00 C ATOM 0 H ILE A 121 3.550 4.543 -0.912 1.00 0.00 H new ATOM 0 HA ILE A 121 6.299 4.585 0.147 1.00 0.00 H new ATOM 0 HB ILE A 121 4.108 2.513 0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 121 5.601 4.109 2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 121 4.120 4.698 1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 121 5.771 1.325 1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 121 6.311 1.444 0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.005 2.522 1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 121 3.670 3.590 4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 121 2.922 2.694 2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 121 4.426 2.096 3.431 1.00 0.00 H new ATOM 1893 N CYS A 122 7.048 3.250 -1.776 1.00 0.00 N ATOM 1894 CA CYS A 122 7.535 2.490 -2.880 1.00 0.00 C ATOM 1895 C CYS A 122 8.164 1.256 -2.354 1.00 0.00 C ATOM 1896 O CYS A 122 8.817 1.295 -1.315 1.00 0.00 O ATOM 1897 CB CYS A 122 8.586 3.264 -3.661 1.00 0.00 C ATOM 1898 SG CYS A 122 7.975 4.723 -4.524 1.00 0.00 S ATOM 0 H CYS A 122 7.761 3.786 -1.281 1.00 0.00 H new ATOM 0 HA CYS A 122 6.700 2.265 -3.544 1.00 0.00 H new ATOM 0 HB2 CYS A 122 9.374 3.571 -2.974 1.00 0.00 H new ATOM 0 HB3 CYS A 122 9.042 2.594 -4.390 1.00 0.00 H new ATOM 1903 N GLN A 123 7.967 0.175 -3.011 1.00 0.00 N ATOM 1904 CA GLN A 123 8.661 -0.993 -2.663 1.00 0.00 C ATOM 1905 C GLN A 123 9.359 -1.451 -3.896 1.00 0.00 C ATOM 1906 O GLN A 123 8.918 -1.187 -5.005 1.00 0.00 O ATOM 1907 CB GLN A 123 7.766 -2.129 -2.134 1.00 0.00 C ATOM 1908 CG GLN A 123 7.064 -2.949 -3.213 1.00 0.00 C ATOM 1909 CD GLN A 123 6.452 -4.208 -2.665 1.00 0.00 C ATOM 1910 OE1 GLN A 123 6.020 -4.253 -1.541 1.00 0.00 O ATOM 1911 NE2 GLN A 123 6.449 -5.255 -3.447 1.00 0.00 N ATOM 0 H GLN A 123 7.325 0.081 -3.798 1.00 0.00 H new ATOM 0 HA GLN A 123 9.340 -0.755 -1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.375 -2.799 -1.527 1.00 0.00 H new ATOM 0 HB3 GLN A 123 7.011 -1.700 -1.475 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.287 -2.343 -3.679 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.779 -3.206 -3.994 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.822 -5.185 -4.394 1.00 0.00 H new ATOM 0 HE22 GLN A 123 6.074 -6.142 -3.111 1.00 0.00 H new ATOM 1920 N LYS A 124 10.410 -2.097 -3.740 1.00 0.00 N ATOM 1921 CA LYS A 124 11.037 -2.641 -4.838 1.00 0.00 C ATOM 1922 C LYS A 124 10.803 -4.094 -4.716 1.00 0.00 C ATOM 1923 O LYS A 124 11.134 -4.705 -3.692 1.00 0.00 O ATOM 1924 CB LYS A 124 12.504 -2.272 -4.881 1.00 0.00 C ATOM 1925 CG LYS A 124 13.093 -2.383 -6.266 1.00 0.00 C ATOM 1926 CD LYS A 124 14.470 -1.792 -6.305 1.00 0.00 C ATOM 1927 CE LYS A 124 15.024 -1.718 -7.717 1.00 0.00 C ATOM 1928 NZ LYS A 124 15.046 -3.038 -8.411 1.00 0.00 N ATOM 0 H LYS A 124 10.867 -2.267 -2.844 1.00 0.00 H new ATOM 0 HA LYS A 124 10.644 -2.260 -5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.628 -1.252 -4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 124 13.058 -2.921 -4.202 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.133 -3.430 -6.567 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.451 -1.870 -6.982 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.446 -0.791 -5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 124 15.138 -2.391 -5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 124 14.424 -1.019 -8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 124 16.037 -1.316 -7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 15.511 -2.936 -9.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 15.570 -3.725 -7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 14.071 -3.374 -8.549 1.00 0.00 H new ATOM 1942 N GLU A 125 10.110 -4.597 -5.684 1.00 0.00 N ATOM 1943 CA GLU A 125 9.667 -5.946 -5.712 1.00 0.00 C ATOM 1944 C GLU A 125 10.824 -6.895 -5.868 1.00 0.00 C ATOM 1945 O GLU A 125 11.536 -6.878 -6.875 1.00 0.00 O ATOM 1946 CB GLU A 125 8.664 -6.100 -6.853 1.00 0.00 C ATOM 1947 CG GLU A 125 8.097 -7.486 -7.069 1.00 0.00 C ATOM 1948 CD GLU A 125 7.239 -7.560 -8.308 1.00 0.00 C ATOM 1949 OE1 GLU A 125 6.044 -7.213 -8.259 1.00 0.00 O ATOM 1950 OE2 GLU A 125 7.760 -7.946 -9.371 1.00 0.00 O ATOM 0 H GLU A 125 9.829 -4.059 -6.504 1.00 0.00 H new ATOM 0 HA GLU A 125 9.185 -6.194 -4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.835 -5.416 -6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 125 9.146 -5.780 -7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 125 8.914 -8.203 -7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.505 -7.775 -6.201 1.00 0.00 H new ATOM 1957 N LEU A 126 11.047 -7.654 -4.847 1.00 0.00 N ATOM 1958 CA LEU A 126 11.990 -8.731 -4.907 1.00 0.00 C ATOM 1959 C LEU A 126 11.164 -9.955 -5.334 1.00 0.00 C ATOM 1960 O LEU A 126 11.603 -10.763 -6.138 1.00 0.00 O ATOM 1961 CB LEU A 126 12.725 -8.926 -3.526 1.00 0.00 C ATOM 1962 CG LEU A 126 13.869 -7.929 -3.086 1.00 0.00 C ATOM 1963 CD1 LEU A 126 13.723 -6.525 -3.613 1.00 0.00 C ATOM 1964 CD2 LEU A 126 13.950 -7.875 -1.575 1.00 0.00 C ATOM 0 H LEU A 126 10.583 -7.549 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 126 12.797 -8.545 -5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 126 11.962 -8.905 -2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 126 13.153 -9.929 -3.526 1.00 0.00 H new ATOM 0 HG LEU A 126 14.782 -8.329 -3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 126 14.554 -5.915 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 126 13.726 -6.543 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 126 12.784 -6.100 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 126 14.740 -7.186 -1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 126 12.998 -7.531 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.170 -8.869 -1.187 1.00 0.00 H new ATOM 1976 N TYR A 127 9.917 -10.019 -4.830 1.00 0.00 N ATOM 1977 CA TYR A 127 8.916 -11.026 -5.214 1.00 0.00 C ATOM 1978 C TYR A 127 7.515 -10.423 -5.087 1.00 0.00 C ATOM 1979 O TYR A 127 7.357 -9.301 -4.590 1.00 0.00 O ATOM 1980 CB TYR A 127 8.971 -12.316 -4.366 1.00 0.00 C ATOM 1981 CG TYR A 127 10.161 -13.211 -4.604 1.00 0.00 C ATOM 1982 CD1 TYR A 127 11.347 -12.993 -3.951 1.00 0.00 C ATOM 1983 CD2 TYR A 127 10.083 -14.291 -5.474 1.00 0.00 C ATOM 1984 CE1 TYR A 127 12.417 -13.797 -4.143 1.00 0.00 C ATOM 1985 CE2 TYR A 127 11.169 -15.114 -5.678 1.00 0.00 C ATOM 1986 CZ TYR A 127 12.336 -14.855 -5.006 1.00 0.00 C ATOM 1987 OH TYR A 127 13.434 -15.663 -5.188 1.00 0.00 O ATOM 0 H TYR A 127 9.573 -9.359 -4.132 1.00 0.00 H new ATOM 0 HA TYR A 127 9.145 -11.306 -6.242 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.956 -12.036 -3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.065 -12.891 -4.556 1.00 0.00 H new ATOM 0 HD1 TYR A 127 11.428 -12.160 -3.268 1.00 0.00 H new ATOM 0 HD2 TYR A 127 9.159 -14.488 -5.997 1.00 0.00 H new ATOM 0 HE1 TYR A 127 13.338 -13.603 -3.613 1.00 0.00 H new ATOM 0 HE2 TYR A 127 11.102 -15.951 -6.357 1.00 0.00 H new ATOM 0 HH TYR A 127 13.968 -15.680 -4.366 1.00 0.00 H new ATOM 1997 N HIS A 128 6.512 -11.162 -5.530 1.00 0.00 N ATOM 1998 CA HIS A 128 5.111 -10.741 -5.471 1.00 0.00 C ATOM 1999 C HIS A 128 4.224 -11.936 -5.149 1.00 0.00 C ATOM 2000 O HIS A 128 4.526 -13.044 -5.555 1.00 0.00 O ATOM 2001 CB HIS A 128 4.659 -10.031 -6.774 1.00 0.00 C ATOM 2002 CG HIS A 128 4.918 -10.777 -8.060 1.00 0.00 C ATOM 2003 ND1 HIS A 128 3.971 -11.536 -8.704 1.00 0.00 N ATOM 2004 CD2 HIS A 128 6.029 -10.844 -8.828 1.00 0.00 C ATOM 2005 CE1 HIS A 128 4.491 -12.037 -9.808 1.00 0.00 C ATOM 2006 NE2 HIS A 128 5.738 -11.630 -9.900 1.00 0.00 N ATOM 0 H HIS A 128 6.643 -12.084 -5.947 1.00 0.00 H new ATOM 0 HA HIS A 128 5.012 -10.006 -4.672 1.00 0.00 H new ATOM 0 HB2 HIS A 128 3.590 -9.831 -6.703 1.00 0.00 H new ATOM 0 HB3 HIS A 128 5.161 -9.065 -6.830 1.00 0.00 H new ATOM 0 HD2 HIS A 128 6.974 -10.362 -8.627 1.00 0.00 H new ATOM 0 HE1 HIS A 128 3.980 -12.673 -10.516 1.00 0.00 H new ATOM 0 HE2 HIS A 128 6.383 -11.866 -10.654 1.00 0.00 H new ATOM 2015 N GLU A 129 3.136 -11.701 -4.432 1.00 0.00 N ATOM 2016 CA GLU A 129 2.274 -12.780 -3.925 1.00 0.00 C ATOM 2017 C GLU A 129 0.794 -12.606 -4.303 1.00 0.00 C ATOM 2018 O GLU A 129 0.431 -11.695 -5.037 1.00 0.00 O ATOM 2019 CB GLU A 129 2.416 -12.836 -2.412 1.00 0.00 C ATOM 2020 CG GLU A 129 3.723 -13.432 -1.938 1.00 0.00 C ATOM 2021 CD GLU A 129 3.752 -14.917 -2.146 1.00 0.00 C ATOM 2022 OE1 GLU A 129 3.073 -15.629 -1.380 1.00 0.00 O ATOM 2023 OE2 GLU A 129 4.423 -15.404 -3.078 1.00 0.00 O ATOM 0 H GLU A 129 2.819 -10.765 -4.181 1.00 0.00 H new ATOM 0 HA GLU A 129 2.600 -13.711 -4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 129 2.322 -11.827 -2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 129 1.592 -13.420 -2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 129 4.552 -12.971 -2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 129 3.865 -13.208 -0.881 1.00 0.00 H new ATOM 2030 N THR A 130 -0.036 -13.509 -3.815 1.00 0.00 N ATOM 2031 CA THR A 130 -1.483 -13.503 -4.014 1.00 0.00 C ATOM 2032 C THR A 130 -2.142 -14.262 -2.864 1.00 0.00 C ATOM 2033 O THR A 130 -1.706 -15.371 -2.561 1.00 0.00 O ATOM 2034 CB THR A 130 -1.839 -14.237 -5.339 1.00 0.00 C ATOM 2035 OG1 THR A 130 -1.358 -13.490 -6.476 1.00 0.00 O ATOM 2036 CG2 THR A 130 -3.344 -14.495 -5.455 1.00 0.00 C ATOM 0 H THR A 130 0.284 -14.295 -3.250 1.00 0.00 H new ATOM 0 HA THR A 130 -1.833 -12.472 -4.054 1.00 0.00 H new ATOM 0 HB THR A 130 -1.342 -15.207 -5.325 1.00 0.00 H new ATOM 0 HG1 THR A 130 -0.834 -12.722 -6.165 1.00 0.00 H new ATOM 0 HG21 THR A 130 -3.554 -15.009 -6.393 1.00 0.00 H new ATOM 0 HG22 THR A 130 -3.672 -15.114 -4.620 1.00 0.00 H new ATOM 0 HG23 THR A 130 -3.879 -13.545 -5.434 1.00 0.00 H new ATOM 2044 N LEU A 131 -3.148 -13.657 -2.202 1.00 0.00 N ATOM 2045 CA LEU A 131 -3.928 -14.354 -1.182 1.00 0.00 C ATOM 2046 C LEU A 131 -5.048 -13.441 -0.703 1.00 0.00 C ATOM 2047 O LEU A 131 -4.830 -12.250 -0.576 1.00 0.00 O ATOM 2048 CB LEU A 131 -3.029 -14.785 0.014 1.00 0.00 C ATOM 2049 CG LEU A 131 -3.337 -16.155 0.669 1.00 0.00 C ATOM 2050 CD1 LEU A 131 -4.681 -16.173 1.378 1.00 0.00 C ATOM 2051 CD2 LEU A 131 -3.274 -17.262 -0.380 1.00 0.00 C ATOM 0 H LEU A 131 -3.432 -12.690 -2.361 1.00 0.00 H new ATOM 0 HA LEU A 131 -4.353 -15.259 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.994 -14.798 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -3.100 -14.018 0.785 1.00 0.00 H new ATOM 0 HG LEU A 131 -2.576 -16.329 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -4.847 -17.156 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -4.688 -15.417 2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -5.474 -15.959 0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -3.492 -18.221 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -4.008 -17.065 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -2.277 -17.291 -0.819 1.00 0.00 H new ATOM 2063 N SER A 132 -6.240 -14.026 -0.516 1.00 0.00 N ATOM 2064 CA SER A 132 -7.438 -13.378 0.056 1.00 0.00 C ATOM 2065 C SER A 132 -8.223 -12.511 -0.936 1.00 0.00 C ATOM 2066 O SER A 132 -7.666 -11.777 -1.735 1.00 0.00 O ATOM 2067 CB SER A 132 -7.106 -12.591 1.330 1.00 0.00 C ATOM 2068 OG SER A 132 -6.438 -13.418 2.283 1.00 0.00 O ATOM 0 H SER A 132 -6.406 -15.000 -0.767 1.00 0.00 H new ATOM 0 HA SER A 132 -8.102 -14.202 0.318 1.00 0.00 H new ATOM 0 HB2 SER A 132 -6.477 -11.737 1.080 1.00 0.00 H new ATOM 0 HB3 SER A 132 -8.023 -12.195 1.766 1.00 0.00 H new ATOM 0 HG SER A 132 -5.753 -12.894 2.747 1.00 0.00 H new ATOM 2074 N ASN A 133 -9.527 -12.642 -0.887 1.00 0.00 N ATOM 2075 CA ASN A 133 -10.430 -11.844 -1.685 1.00 0.00 C ATOM 2076 C ASN A 133 -11.559 -11.375 -0.819 1.00 0.00 C ATOM 2077 O ASN A 133 -12.128 -12.164 -0.077 1.00 0.00 O ATOM 2078 CB ASN A 133 -10.979 -12.597 -2.905 1.00 0.00 C ATOM 2079 CG ASN A 133 -9.985 -12.699 -4.055 1.00 0.00 C ATOM 2080 OD1 ASN A 133 -9.235 -13.765 -4.113 1.00 0.00 O flip ATOM 2081 ND2 ASN A 133 -9.922 -11.818 -4.909 1.00 0.00 N flip ATOM 0 H ASN A 133 -9.999 -13.315 -0.283 1.00 0.00 H new ATOM 0 HA ASN A 133 -9.865 -10.997 -2.074 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -11.273 -13.601 -2.600 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -11.880 -12.094 -3.257 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -10.521 -10.995 -4.838 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -9.271 -11.909 -5.689 1.00 0.00 H new ATOM 2088 N TYR A 134 -11.852 -10.071 -0.896 1.00 0.00 N ATOM 2089 CA TYR A 134 -12.880 -9.408 -0.081 1.00 0.00 C ATOM 2090 C TYR A 134 -12.452 -9.286 1.362 1.00 0.00 C ATOM 2091 O TYR A 134 -11.535 -9.983 1.817 1.00 0.00 O ATOM 2092 CB TYR A 134 -14.276 -10.051 -0.206 1.00 0.00 C ATOM 2093 CG TYR A 134 -14.940 -9.798 -1.532 1.00 0.00 C ATOM 2094 CD1 TYR A 134 -15.411 -8.535 -1.844 1.00 0.00 C ATOM 2095 CD2 TYR A 134 -15.100 -10.809 -2.469 1.00 0.00 C ATOM 2096 CE1 TYR A 134 -16.019 -8.280 -3.047 1.00 0.00 C ATOM 2097 CE2 TYR A 134 -15.713 -10.559 -3.683 1.00 0.00 C ATOM 2098 CZ TYR A 134 -16.168 -9.290 -3.966 1.00 0.00 C ATOM 2099 OH TYR A 134 -16.776 -9.032 -5.178 1.00 0.00 O ATOM 0 H TYR A 134 -11.375 -9.436 -1.536 1.00 0.00 H new ATOM 0 HA TYR A 134 -12.979 -8.402 -0.490 1.00 0.00 H new ATOM 0 HB2 TYR A 134 -14.186 -11.127 -0.054 1.00 0.00 H new ATOM 0 HB3 TYR A 134 -14.915 -9.669 0.590 1.00 0.00 H new ATOM 0 HD1 TYR A 134 -15.298 -7.735 -1.127 1.00 0.00 H new ATOM 0 HD2 TYR A 134 -14.741 -11.803 -2.247 1.00 0.00 H new ATOM 0 HE1 TYR A 134 -16.380 -7.287 -3.271 1.00 0.00 H new ATOM 0 HE2 TYR A 134 -15.834 -11.353 -4.405 1.00 0.00 H new ATOM 0 HH TYR A 134 -16.154 -8.545 -5.759 1.00 0.00 H new ATOM 2109 N VAL A 135 -13.060 -8.380 2.072 1.00 0.00 N ATOM 2110 CA VAL A 135 -12.700 -8.183 3.451 1.00 0.00 C ATOM 2111 C VAL A 135 -13.959 -8.191 4.278 1.00 0.00 C ATOM 2112 O VAL A 135 -14.341 -9.202 4.831 1.00 0.00 O ATOM 2113 CB VAL A 135 -11.952 -6.831 3.717 1.00 0.00 C ATOM 2114 CG1 VAL A 135 -11.302 -6.830 5.098 1.00 0.00 C ATOM 2115 CG2 VAL A 135 -10.947 -6.476 2.618 1.00 0.00 C ATOM 0 H VAL A 135 -13.801 -7.770 1.726 1.00 0.00 H new ATOM 0 HA VAL A 135 -12.018 -8.990 3.720 1.00 0.00 H new ATOM 0 HB VAL A 135 -12.707 -6.045 3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -10.790 -5.881 5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -12.069 -6.962 5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -10.583 -7.646 5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -10.462 -5.530 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -10.195 -7.261 2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -11.468 -6.384 1.665 1.00 0.00 H new ATOM 2125 N GLY A 136 -14.647 -7.082 4.244 1.00 0.00 N ATOM 2126 CA GLY A 136 -15.795 -6.878 5.051 1.00 0.00 C ATOM 2127 C GLY A 136 -15.743 -5.487 5.598 1.00 0.00 C ATOM 2128 O GLY A 136 -15.742 -4.526 4.824 1.00 0.00 O ATOM 0 H GLY A 136 -14.414 -6.291 3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -16.702 -7.022 4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -15.822 -7.605 5.863 1.00 0.00 H new ATOM 2132 N TYR A 137 -15.595 -5.367 6.898 1.00 0.00 N ATOM 2133 CA TYR A 137 -15.529 -4.051 7.556 1.00 0.00 C ATOM 2134 C TYR A 137 -14.198 -3.866 8.257 1.00 0.00 C ATOM 2135 O TYR A 137 -14.018 -2.954 9.060 1.00 0.00 O ATOM 2136 CB TYR A 137 -16.670 -3.884 8.563 1.00 0.00 C ATOM 2137 CG TYR A 137 -18.034 -3.804 7.935 1.00 0.00 C ATOM 2138 CD1 TYR A 137 -18.522 -2.593 7.472 1.00 0.00 C ATOM 2139 CD2 TYR A 137 -18.834 -4.928 7.808 1.00 0.00 C ATOM 2140 CE1 TYR A 137 -19.767 -2.502 6.898 1.00 0.00 C ATOM 2141 CE2 TYR A 137 -20.083 -4.844 7.234 1.00 0.00 C ATOM 2142 CZ TYR A 137 -20.543 -3.630 6.781 1.00 0.00 C ATOM 2143 OH TYR A 137 -21.790 -3.541 6.207 1.00 0.00 O ATOM 0 H TYR A 137 -15.516 -6.159 7.536 1.00 0.00 H new ATOM 0 HA TYR A 137 -15.630 -3.290 6.782 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -16.651 -4.722 9.260 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -16.496 -2.980 9.146 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.914 -1.705 7.564 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -18.474 -5.882 8.164 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -20.133 -1.551 6.541 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -20.698 -5.727 7.140 1.00 0.00 H new ATOM 0 HH TYR A 137 -22.210 -4.426 6.198 1.00 0.00 H new ATOM 2153 N GLY A 138 -13.266 -4.698 7.912 1.00 0.00 N ATOM 2154 CA GLY A 138 -11.975 -4.706 8.562 1.00 0.00 C ATOM 2155 C GLY A 138 -11.624 -6.112 8.913 1.00 0.00 C ATOM 2156 O GLY A 138 -10.470 -6.455 9.167 1.00 0.00 O ATOM 0 H GLY A 138 -13.370 -5.394 7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -11.218 -4.281 7.903 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -12.000 -4.088 9.459 1.00 0.00 H new ATOM 2160 N HIS A 139 -12.646 -6.906 8.915 1.00 0.00 N ATOM 2161 CA HIS A 139 -12.614 -8.309 9.126 1.00 0.00 C ATOM 2162 C HIS A 139 -13.423 -8.861 8.009 1.00 0.00 C ATOM 2163 O HIS A 139 -14.507 -8.269 7.760 1.00 0.00 O ATOM 2164 CB HIS A 139 -13.267 -8.685 10.467 1.00 0.00 C ATOM 2165 CG HIS A 139 -13.366 -10.174 10.708 1.00 0.00 C ATOM 2166 ND1 HIS A 139 -14.451 -10.935 10.306 1.00 0.00 N ATOM 2167 CD2 HIS A 139 -12.513 -11.038 11.306 1.00 0.00 C ATOM 2168 CE1 HIS A 139 -14.254 -12.187 10.651 1.00 0.00 C ATOM 2169 NE2 HIS A 139 -13.089 -12.279 11.256 1.00 0.00 N ATOM 2170 OXT HIS A 139 -13.029 -9.867 7.408 1.00 0.00 O ATOM 0 H HIS A 139 -13.593 -6.560 8.757 1.00 0.00 H new ATOM 0 HA HIS A 139 -11.594 -8.692 9.156 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -12.694 -8.234 11.277 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -14.267 -8.254 10.505 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -11.555 -10.794 11.742 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -14.935 -13.005 10.468 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -12.681 -13.137 11.628 1.00 0.00 H new TER 2179 HIS A 139