USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 712 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 85 HIS : no HE2:sc= -0.134 X(o=-0.18,f=-0.64) USER MOD Set 1.2: A 86 CYS SG : rot 155:sc= 0.0205 USER MOD Set 1.3: A 98 HIS : no HE2:sc= -0.0662 X(o=-0.18,f=-0.63) USER MOD Set 2.1: A 55 ASN : amide:sc=-0.00994 K(o=0.12,f=-0.65) USER MOD Set 2.2: A 57 HIS : no HE2:sc= 0.131 K(o=0.12,f=-0.65) USER MOD Single : A 6 THR OG1 : rot -31:sc= 0.26 USER MOD Single : A 8 HIS : no HD1:sc= -2.29 K(o=-2.3,f=-3.8) USER MOD Single : A 10 GLN : amide:sc= -0.0491 K(o=-0.049,f=-0.84) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.322! X(o=-0.32!,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.0818 K(o=-0.082,f=-2.4!) USER MOD Single : A 22 CYS SG : rot 180:sc= -0.0021 USER MOD Single : A 23 ASN : amide:sc= -0.0616 X(o=-0.062,f=-0.047) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0683 X(o=-0.068,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= -0.582 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.18 F(o=-0.75,f=-0.18) USER MOD Single : A 68 HIS : no HE2:sc=-0.00207 X(o=-0.0021,f=-0.2) USER MOD Single : A 79 ASN : amide:sc= -0.286 K(o=-0.29,f=-4.2!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.586 F(o=-2,f=-0.59) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.54 K(o=-0.54,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 6 -12.581 -5.157 4.778 1.00 0.00 N ATOM 60 CA THR A 6 -11.275 -4.533 4.864 1.00 0.00 C ATOM 61 C THR A 6 -10.235 -5.628 4.661 1.00 0.00 C ATOM 62 O THR A 6 -10.455 -6.732 5.169 1.00 0.00 O ATOM 63 CB THR A 6 -11.100 -3.920 6.257 1.00 0.00 C ATOM 64 OG1 THR A 6 -11.410 -4.897 7.232 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.006 -2.709 6.498 1.00 0.00 C ATOM 0 HA THR A 6 -11.166 -3.750 4.114 1.00 0.00 H new ATOM 0 HB THR A 6 -10.065 -3.584 6.327 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.093 -5.505 6.880 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.835 -2.321 7.502 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.780 -1.934 5.766 1.00 0.00 H new ATOM 0 HG23 THR A 6 -13.049 -3.009 6.398 1.00 0.00 H new ATOM 73 N PRO A 7 -9.102 -5.349 4.012 1.00 0.00 N ATOM 74 CA PRO A 7 -8.036 -6.315 3.891 1.00 0.00 C ATOM 75 C PRO A 7 -7.332 -6.446 5.251 1.00 0.00 C ATOM 76 O PRO A 7 -6.451 -5.649 5.569 1.00 0.00 O ATOM 77 CB PRO A 7 -7.163 -5.795 2.750 1.00 0.00 C ATOM 78 CG PRO A 7 -7.337 -4.277 2.822 1.00 0.00 C ATOM 79 CD PRO A 7 -8.761 -4.109 3.338 1.00 0.00 C ATOM 0 HA PRO A 7 -8.355 -7.328 3.648 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.120 -6.085 2.880 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.486 -6.190 1.787 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.610 -3.821 3.494 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.206 -3.811 1.846 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.829 -3.264 4.023 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.451 -3.911 2.517 1.00 0.00 H new ATOM 87 N HIS A 8 -7.747 -7.432 6.056 1.00 0.00 N ATOM 88 CA HIS A 8 -7.338 -7.713 7.435 1.00 0.00 C ATOM 89 C HIS A 8 -7.973 -6.721 8.438 1.00 0.00 C ATOM 90 O HIS A 8 -8.187 -5.546 8.115 1.00 0.00 O ATOM 91 CB HIS A 8 -5.799 -7.752 7.556 1.00 0.00 C ATOM 92 CG HIS A 8 -5.265 -8.702 8.595 1.00 0.00 C ATOM 93 ND1 HIS A 8 -4.503 -8.359 9.687 1.00 0.00 N ATOM 94 CD2 HIS A 8 -5.362 -10.067 8.570 1.00 0.00 C ATOM 95 CE1 HIS A 8 -4.148 -9.497 10.310 1.00 0.00 C ATOM 96 NE2 HIS A 8 -4.666 -10.561 9.679 1.00 0.00 N ATOM 0 H HIS A 8 -8.436 -8.110 5.730 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.714 -8.702 7.697 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.380 -8.025 6.587 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.442 -6.748 7.786 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.882 -10.656 7.829 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.531 -9.547 11.195 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.571 -11.539 9.954 1.00 0.00 H new ATOM 104 N PRO A 9 -8.283 -7.143 9.681 1.00 0.00 N ATOM 105 CA PRO A 9 -8.703 -6.241 10.753 1.00 0.00 C ATOM 106 C PRO A 9 -7.518 -5.517 11.405 1.00 0.00 C ATOM 107 O PRO A 9 -7.685 -4.382 11.849 1.00 0.00 O ATOM 108 CB PRO A 9 -9.423 -7.126 11.775 1.00 0.00 C ATOM 109 CG PRO A 9 -8.764 -8.491 11.598 1.00 0.00 C ATOM 110 CD PRO A 9 -8.365 -8.525 10.126 1.00 0.00 C ATOM 0 HA PRO A 9 -9.346 -5.453 10.361 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.297 -6.749 12.790 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.495 -7.171 11.582 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.896 -8.602 12.249 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.452 -9.300 11.843 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.408 -9.030 9.996 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.099 -9.077 9.539 1.00 0.00 H new ATOM 118 N GLN A 10 -6.347 -6.161 11.475 1.00 0.00 N ATOM 119 CA GLN A 10 -5.148 -5.646 12.136 1.00 0.00 C ATOM 120 C GLN A 10 -4.332 -4.707 11.238 1.00 0.00 C ATOM 121 O GLN A 10 -3.343 -4.141 11.707 1.00 0.00 O ATOM 122 CB GLN A 10 -4.295 -6.843 12.617 1.00 0.00 C ATOM 123 CG GLN A 10 -4.215 -6.971 14.139 1.00 0.00 C ATOM 124 CD GLN A 10 -5.586 -7.071 14.808 1.00 0.00 C ATOM 125 OE1 GLN A 10 -6.558 -7.550 14.234 1.00 0.00 O ATOM 126 NE2 GLN A 10 -5.700 -6.580 16.027 1.00 0.00 N ATOM 0 H GLN A 10 -6.206 -7.082 11.060 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.458 -5.042 12.989 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.711 -7.763 12.206 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.286 -6.743 12.216 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.629 -7.854 14.393 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.683 -6.109 14.542 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.885 -6.184 16.496 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.603 -6.597 16.501 1.00 0.00 H new ATOM 135 N LEU A 11 -4.717 -4.583 9.963 1.00 0.00 N ATOM 136 CA LEU A 11 -4.283 -3.524 9.062 1.00 0.00 C ATOM 137 C LEU A 11 -4.808 -2.191 9.606 1.00 0.00 C ATOM 138 O LEU A 11 -5.992 -2.105 9.926 1.00 0.00 O ATOM 139 CB LEU A 11 -4.844 -3.843 7.660 1.00 0.00 C ATOM 140 CG LEU A 11 -4.722 -2.687 6.648 1.00 0.00 C ATOM 141 CD1 LEU A 11 -4.077 -3.117 5.326 1.00 0.00 C ATOM 142 CD2 LEU A 11 -6.097 -2.074 6.358 1.00 0.00 C ATOM 0 H LEU A 11 -5.360 -5.241 9.521 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.197 -3.455 8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.323 -4.714 7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.895 -4.117 7.756 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.070 -1.947 7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.018 -2.261 4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.074 -3.497 5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.680 -3.899 4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.989 -1.260 5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.755 -2.837 5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.526 -1.689 7.283 1.00 0.00 H new ATOM 154 N ILE A 12 -3.974 -1.153 9.696 1.00 0.00 N ATOM 155 CA ILE A 12 -4.341 0.172 10.192 1.00 0.00 C ATOM 156 C ILE A 12 -4.202 1.162 9.038 1.00 0.00 C ATOM 157 O ILE A 12 -3.102 1.356 8.528 1.00 0.00 O ATOM 158 CB ILE A 12 -3.453 0.595 11.384 1.00 0.00 C ATOM 159 CG1 ILE A 12 -3.320 -0.437 12.526 1.00 0.00 C ATOM 160 CG2 ILE A 12 -3.963 1.934 11.947 1.00 0.00 C ATOM 161 CD1 ILE A 12 -4.634 -0.917 13.154 1.00 0.00 C ATOM 0 H ILE A 12 -2.995 -1.215 9.417 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.369 0.155 10.555 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.447 0.683 10.975 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.784 -1.306 12.143 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.702 -0.002 13.312 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.339 2.236 12.788 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.918 2.697 11.169 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.994 1.819 12.282 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.418 -1.638 13.943 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.168 -0.066 13.576 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.251 -1.389 12.390 1.00 0.00 H new ATOM 173 N TRP A 13 -5.300 1.774 8.597 1.00 0.00 N ATOM 174 CA TRP A 13 -5.291 2.788 7.540 1.00 0.00 C ATOM 175 C TRP A 13 -4.442 4.003 7.927 1.00 0.00 C ATOM 176 O TRP A 13 -4.368 4.338 9.113 1.00 0.00 O ATOM 177 CB TRP A 13 -6.731 3.175 7.215 1.00 0.00 C ATOM 178 CG TRP A 13 -7.595 2.003 6.865 1.00 0.00 C ATOM 179 CD1 TRP A 13 -8.454 1.351 7.681 1.00 0.00 C ATOM 180 CD2 TRP A 13 -7.586 1.249 5.622 1.00 0.00 C ATOM 181 NE1 TRP A 13 -9.080 0.340 6.977 1.00 0.00 N ATOM 182 CE2 TRP A 13 -8.587 0.241 5.691 1.00 0.00 C ATOM 183 CE3 TRP A 13 -6.801 1.308 4.455 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -8.862 -0.609 4.611 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -7.067 0.463 3.355 1.00 0.00 C ATOM 186 CH2 TRP A 13 -8.101 -0.489 3.435 1.00 0.00 C ATOM 0 H TRP A 13 -6.231 1.579 8.966 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.827 2.372 6.646 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.163 3.693 8.071 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.732 3.879 6.383 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -8.624 1.584 8.722 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.813 -0.257 7.359 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.982 2.010 4.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -9.648 -1.346 4.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.478 0.547 2.454 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -8.310 -1.129 2.591 1.00 0.00 H new ATOM 197 N PRO A 14 -3.853 4.711 6.948 1.00 0.00 N ATOM 198 CA PRO A 14 -3.940 4.437 5.509 1.00 0.00 C ATOM 199 C PRO A 14 -3.156 3.206 5.027 1.00 0.00 C ATOM 200 O PRO A 14 -2.446 2.589 5.822 1.00 0.00 O ATOM 201 CB PRO A 14 -3.358 5.664 4.840 1.00 0.00 C ATOM 202 CG PRO A 14 -2.450 6.306 5.886 1.00 0.00 C ATOM 203 CD PRO A 14 -3.137 5.952 7.197 1.00 0.00 C ATOM 0 HA PRO A 14 -4.980 4.223 5.264 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.797 5.394 3.945 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.144 6.351 4.528 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.437 5.907 5.841 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.375 7.385 5.748 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.409 5.829 7.999 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.821 6.743 7.506 1.00 0.00 H new ATOM 211 N ALA A 15 -3.293 2.834 3.743 1.00 0.00 N ATOM 212 CA ALA A 15 -2.611 1.678 3.163 1.00 0.00 C ATOM 213 C ALA A 15 -1.867 2.015 1.876 1.00 0.00 C ATOM 214 O ALA A 15 -2.104 3.050 1.257 1.00 0.00 O ATOM 215 CB ALA A 15 -3.604 0.553 2.870 1.00 0.00 C ATOM 0 H ALA A 15 -3.885 3.334 3.079 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.881 1.357 3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.074 -0.297 2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.090 0.246 3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.357 0.907 2.165 1.00 0.00 H new ATOM 221 N LEU A 16 -1.014 1.077 1.465 1.00 0.00 N ATOM 222 CA LEU A 16 -0.187 1.088 0.273 1.00 0.00 C ATOM 223 C LEU A 16 -0.206 -0.313 -0.324 1.00 0.00 C ATOM 224 O LEU A 16 0.488 -1.213 0.164 1.00 0.00 O ATOM 225 CB LEU A 16 1.251 1.505 0.631 1.00 0.00 C ATOM 226 CG LEU A 16 1.432 3.027 0.698 1.00 0.00 C ATOM 227 CD1 LEU A 16 2.755 3.362 1.393 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.430 3.632 -0.709 1.00 0.00 C ATOM 0 H LEU A 16 -0.877 0.223 2.006 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.572 1.806 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.521 1.069 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.938 1.095 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 16 0.602 3.449 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.879 4.444 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.748 2.955 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.581 2.925 0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.559 4.712 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.247 3.205 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.482 3.410 -1.199 1.00 0.00 H new ATOM 240 N LEU A 17 -1.027 -0.523 -1.353 1.00 0.00 N ATOM 241 CA LEU A 17 -0.964 -1.751 -2.146 1.00 0.00 C ATOM 242 C LEU A 17 0.323 -1.729 -2.970 1.00 0.00 C ATOM 243 O LEU A 17 0.764 -0.633 -3.321 1.00 0.00 O ATOM 244 CB LEU A 17 -2.180 -1.802 -3.080 1.00 0.00 C ATOM 245 CG LEU A 17 -2.359 -3.106 -3.879 1.00 0.00 C ATOM 246 CD1 LEU A 17 -2.830 -4.244 -2.974 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.382 -2.873 -4.988 1.00 0.00 C ATOM 0 H LEU A 17 -1.741 0.139 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.971 -2.628 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.078 -1.637 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.108 -0.974 -3.785 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.398 -3.390 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.948 -5.153 -3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.093 -4.414 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.786 -3.978 -2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.515 -3.792 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.335 -2.578 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.028 -2.083 -5.650 1.00 0.00 H new ATOM 259 N LYS A 18 0.904 -2.877 -3.345 1.00 0.00 N ATOM 260 CA LYS A 18 2.014 -2.885 -4.293 1.00 0.00 C ATOM 261 C LYS A 18 1.968 -4.106 -5.198 1.00 0.00 C ATOM 262 O LYS A 18 2.674 -5.091 -4.965 1.00 0.00 O ATOM 263 CB LYS A 18 3.363 -2.721 -3.572 1.00 0.00 C ATOM 264 CG LYS A 18 4.297 -1.883 -4.435 1.00 0.00 C ATOM 265 CD LYS A 18 4.788 -2.553 -5.721 1.00 0.00 C ATOM 266 CE LYS A 18 5.538 -3.876 -5.554 1.00 0.00 C ATOM 267 NZ LYS A 18 6.933 -3.687 -5.092 1.00 0.00 N ATOM 0 H LYS A 18 0.625 -3.798 -3.008 1.00 0.00 H new ATOM 0 HA LYS A 18 1.906 -2.020 -4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.215 -2.241 -2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.806 -3.698 -3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.785 -0.958 -4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.165 -1.606 -3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.927 -2.727 -6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.441 -1.854 -6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.005 -4.504 -4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.543 -4.409 -6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.395 -4.614 -4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.453 -3.111 -5.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.931 -3.203 -4.171 1.00 0.00 H new ATOM 281 N GLN A 19 1.207 -3.966 -6.283 1.00 0.00 N ATOM 282 CA GLN A 19 0.993 -4.975 -7.304 1.00 0.00 C ATOM 283 C GLN A 19 2.313 -5.642 -7.682 1.00 0.00 C ATOM 284 O GLN A 19 3.294 -4.970 -8.029 1.00 0.00 O ATOM 285 CB GLN A 19 0.422 -4.288 -8.544 1.00 0.00 C ATOM 286 CG GLN A 19 -1.099 -4.292 -8.553 1.00 0.00 C ATOM 287 CD GLN A 19 -1.633 -5.388 -9.467 1.00 0.00 C ATOM 288 OE1 GLN A 19 -1.483 -5.308 -10.682 1.00 0.00 O ATOM 289 NE2 GLN A 19 -2.264 -6.406 -8.936 1.00 0.00 N ATOM 0 H GLN A 19 0.701 -3.102 -6.477 1.00 0.00 H new ATOM 0 HA GLN A 19 0.309 -5.733 -6.923 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.781 -3.260 -8.586 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.790 -4.791 -9.438 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.473 -4.443 -7.540 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.468 -3.322 -8.887 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.382 -6.461 -7.924 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.637 -7.143 -9.534 1.00 0.00 H new ATOM 298 N GLN A 20 2.324 -6.967 -7.625 1.00 0.00 N ATOM 299 CA GLN A 20 3.477 -7.806 -7.753 1.00 0.00 C ATOM 300 C GLN A 20 4.035 -7.764 -9.178 1.00 0.00 C ATOM 301 O GLN A 20 3.665 -8.565 -10.037 1.00 0.00 O ATOM 302 CB GLN A 20 3.013 -9.201 -7.333 1.00 0.00 C ATOM 303 CG GLN A 20 4.200 -10.098 -7.047 1.00 0.00 C ATOM 304 CD GLN A 20 4.753 -9.925 -5.638 1.00 0.00 C ATOM 305 OE1 GLN A 20 5.125 -8.832 -5.224 1.00 0.00 O ATOM 306 NE2 GLN A 20 4.833 -11.004 -4.885 1.00 0.00 N ATOM 0 H GLN A 20 1.469 -7.504 -7.479 1.00 0.00 H new ATOM 0 HA GLN A 20 4.303 -7.474 -7.124 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.384 -9.128 -6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.402 -9.639 -8.122 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.905 -11.138 -7.190 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.989 -9.888 -7.769 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.518 -11.904 -5.248 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.210 -10.939 -3.939 1.00 0.00 H new ATOM 315 N GLY A 21 4.962 -6.846 -9.433 1.00 0.00 N ATOM 316 CA GLY A 21 5.607 -6.671 -10.725 1.00 0.00 C ATOM 317 C GLY A 21 5.273 -5.325 -11.357 1.00 0.00 C ATOM 318 O GLY A 21 6.018 -4.893 -12.236 1.00 0.00 O ATOM 0 H GLY A 21 5.292 -6.188 -8.727 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.687 -6.756 -10.605 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.297 -7.472 -11.396 1.00 0.00 H new ATOM 322 N CYS A 22 4.217 -4.642 -10.902 1.00 0.00 N ATOM 323 CA CYS A 22 3.925 -3.293 -11.375 1.00 0.00 C ATOM 324 C CYS A 22 4.948 -2.316 -10.820 1.00 0.00 C ATOM 325 O CYS A 22 5.285 -1.339 -11.469 1.00 0.00 O ATOM 326 CB CYS A 22 2.520 -2.862 -10.939 1.00 0.00 C ATOM 327 SG CYS A 22 1.860 -1.606 -12.062 1.00 0.00 S ATOM 0 H CYS A 22 3.557 -5.001 -10.212 1.00 0.00 H new ATOM 0 HA CYS A 22 3.973 -3.292 -12.464 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.857 -3.727 -10.923 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.554 -2.468 -9.923 1.00 0.00 H new ATOM 0 HG CYS A 22 0.669 -1.259 -11.673 1.00 0.00 H new ATOM 333 N ASN A 23 5.446 -2.550 -9.601 1.00 0.00 N ATOM 334 CA ASN A 23 6.319 -1.647 -8.839 1.00 0.00 C ATOM 335 C ASN A 23 5.597 -0.385 -8.380 1.00 0.00 C ATOM 336 O ASN A 23 6.026 0.234 -7.409 1.00 0.00 O ATOM 337 CB ASN A 23 7.594 -1.246 -9.589 1.00 0.00 C ATOM 338 CG ASN A 23 8.222 -2.391 -10.322 1.00 0.00 C ATOM 339 OD1 ASN A 23 8.781 -3.299 -9.709 1.00 0.00 O ATOM 340 ND2 ASN A 23 8.057 -2.404 -11.630 1.00 0.00 N ATOM 0 H ASN A 23 5.243 -3.412 -9.095 1.00 0.00 H new ATOM 0 HA ASN A 23 6.610 -2.233 -7.967 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.358 -0.452 -10.298 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.313 -0.836 -8.880 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.400 -3.192 -12.179 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.586 -1.626 -12.092 1.00 0.00 H new ATOM 347 N GLU A 24 4.493 -0.036 -9.028 1.00 0.00 N ATOM 348 CA GLU A 24 3.606 1.033 -8.646 1.00 0.00 C ATOM 349 C GLU A 24 2.975 0.677 -7.303 1.00 0.00 C ATOM 350 O GLU A 24 2.608 -0.478 -7.049 1.00 0.00 O ATOM 351 CB GLU A 24 2.555 1.142 -9.757 1.00 0.00 C ATOM 352 CG GLU A 24 1.646 2.365 -9.642 1.00 0.00 C ATOM 353 CD GLU A 24 0.400 2.172 -10.510 1.00 0.00 C ATOM 354 OE1 GLU A 24 -0.435 1.293 -10.187 1.00 0.00 O ATOM 355 OE2 GLU A 24 0.266 2.850 -11.550 1.00 0.00 O ATOM 0 H GLU A 24 4.186 -0.519 -9.872 1.00 0.00 H new ATOM 0 HA GLU A 24 4.117 1.989 -8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.063 1.170 -10.721 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.939 0.243 -9.748 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.356 2.517 -8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.184 3.259 -9.956 1.00 0.00 H new ATOM 362 N LEU A 25 2.883 1.678 -6.433 1.00 0.00 N ATOM 363 CA LEU A 25 2.137 1.613 -5.197 1.00 0.00 C ATOM 364 C LEU A 25 0.774 2.236 -5.424 1.00 0.00 C ATOM 365 O LEU A 25 0.640 3.173 -6.208 1.00 0.00 O ATOM 366 CB LEU A 25 2.877 2.399 -4.117 1.00 0.00 C ATOM 367 CG LEU A 25 4.107 1.613 -3.631 1.00 0.00 C ATOM 368 CD1 LEU A 25 5.366 2.454 -3.569 1.00 0.00 C ATOM 369 CD2 LEU A 25 3.861 0.896 -2.298 1.00 0.00 C ATOM 0 H LEU A 25 3.340 2.578 -6.579 1.00 0.00 H new ATOM 0 HA LEU A 25 2.028 0.576 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.188 3.367 -4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.209 2.596 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 25 4.272 0.849 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.196 1.841 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.594 2.841 -4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.214 3.286 -2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.762 0.358 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.609 1.629 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.037 0.191 -2.411 1.00 0.00 H new ATOM 381 N LEU A 26 -0.203 1.749 -4.670 1.00 0.00 N ATOM 382 CA LEU A 26 -1.571 2.264 -4.643 1.00 0.00 C ATOM 383 C LEU A 26 -1.878 2.881 -3.274 1.00 0.00 C ATOM 384 O LEU A 26 -2.202 2.120 -2.355 1.00 0.00 O ATOM 385 CB LEU A 26 -2.623 1.251 -5.134 1.00 0.00 C ATOM 386 CG LEU A 26 -3.668 1.853 -6.093 1.00 0.00 C ATOM 387 CD1 LEU A 26 -4.374 3.086 -5.517 1.00 0.00 C ATOM 388 CD2 LEU A 26 -3.082 2.174 -7.474 1.00 0.00 C ATOM 0 H LEU A 26 -0.063 0.960 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.641 3.066 -5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.114 0.428 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.137 0.828 -4.271 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.419 1.073 -6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.097 3.462 -6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.890 2.813 -4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.637 3.861 -5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.860 2.596 -8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.271 2.894 -7.367 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.698 1.260 -7.928 1.00 0.00 H new ATOM 400 N PRO A 27 -1.588 4.177 -3.045 1.00 0.00 N ATOM 401 CA PRO A 27 -1.923 4.861 -1.798 1.00 0.00 C ATOM 402 C PRO A 27 -3.443 4.923 -1.627 1.00 0.00 C ATOM 403 O PRO A 27 -4.181 5.194 -2.577 1.00 0.00 O ATOM 404 CB PRO A 27 -1.326 6.266 -1.940 1.00 0.00 C ATOM 405 CG PRO A 27 -1.425 6.528 -3.436 1.00 0.00 C ATOM 406 CD PRO A 27 -1.148 5.153 -4.038 1.00 0.00 C ATOM 0 HA PRO A 27 -1.530 4.347 -0.921 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.885 7.003 -1.363 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.294 6.304 -1.591 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.410 6.902 -3.717 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.697 7.269 -3.766 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.687 5.023 -4.977 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.088 5.032 -4.260 1.00 0.00 H new ATOM 414 N LEU A 28 -3.928 4.668 -0.412 1.00 0.00 N ATOM 415 CA LEU A 28 -5.352 4.634 -0.102 1.00 0.00 C ATOM 416 C LEU A 28 -5.518 5.267 1.275 1.00 0.00 C ATOM 417 O LEU A 28 -4.993 4.732 2.260 1.00 0.00 O ATOM 418 CB LEU A 28 -5.882 3.186 -0.114 1.00 0.00 C ATOM 419 CG LEU A 28 -5.577 2.348 -1.372 1.00 0.00 C ATOM 420 CD1 LEU A 28 -5.374 0.887 -0.980 1.00 0.00 C ATOM 421 CD2 LEU A 28 -6.649 2.533 -2.443 1.00 0.00 C ATOM 0 H LEU A 28 -3.332 4.477 0.394 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.926 5.182 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.469 2.665 0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.963 3.218 0.020 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.649 2.702 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.159 0.298 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.539 0.810 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.279 0.509 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.401 1.927 -3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.616 2.221 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.697 3.583 -2.732 1.00 0.00 H new ATOM 433 N ARG A 29 -6.237 6.390 1.371 1.00 0.00 N ATOM 434 CA ARG A 29 -6.342 7.164 2.615 1.00 0.00 C ATOM 435 C ARG A 29 -7.141 6.423 3.685 1.00 0.00 C ATOM 436 O ARG A 29 -6.705 6.289 4.830 1.00 0.00 O ATOM 437 CB ARG A 29 -7.011 8.537 2.413 1.00 0.00 C ATOM 438 CG ARG A 29 -6.473 9.407 1.276 1.00 0.00 C ATOM 439 CD ARG A 29 -7.257 9.215 -0.032 1.00 0.00 C ATOM 440 NE ARG A 29 -6.954 10.308 -0.955 1.00 0.00 N ATOM 441 CZ ARG A 29 -7.475 11.539 -0.879 1.00 0.00 C ATOM 442 NH1 ARG A 29 -8.538 11.814 -0.122 1.00 0.00 N ATOM 443 NH2 ARG A 29 -6.915 12.516 -1.565 1.00 0.00 N ATOM 0 H ARG A 29 -6.761 6.788 0.592 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.311 7.305 2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.075 8.374 2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.920 9.099 3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.517 10.455 1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.423 9.168 1.105 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.996 8.260 -0.487 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.327 9.187 0.175 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.298 10.119 -1.712 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.981 11.074 0.423 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.908 12.764 -0.088 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.096 12.329 -2.144 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.301 13.459 -1.517 1.00 0.00 H new ATOM 457 N THR A 30 -8.355 5.999 3.337 1.00 0.00 N ATOM 458 CA THR A 30 -9.288 5.364 4.254 1.00 0.00 C ATOM 459 C THR A 30 -9.964 4.204 3.534 1.00 0.00 C ATOM 460 O THR A 30 -9.928 4.142 2.305 1.00 0.00 O ATOM 461 CB THR A 30 -10.295 6.403 4.778 1.00 0.00 C ATOM 462 OG1 THR A 30 -11.015 7.061 3.748 1.00 0.00 O ATOM 463 CG2 THR A 30 -9.616 7.468 5.631 1.00 0.00 C ATOM 0 H THR A 30 -8.721 6.091 2.389 1.00 0.00 H new ATOM 0 HA THR A 30 -8.767 4.964 5.124 1.00 0.00 H new ATOM 0 HB THR A 30 -10.997 5.825 5.379 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.638 7.705 4.145 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.361 8.183 5.982 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.135 6.996 6.487 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.866 7.988 5.035 1.00 0.00 H new ATOM 471 N ASN A 31 -10.624 3.308 4.276 1.00 0.00 N ATOM 472 CA ASN A 31 -11.270 2.117 3.717 1.00 0.00 C ATOM 473 C ASN A 31 -12.184 2.443 2.532 1.00 0.00 C ATOM 474 O ASN A 31 -12.287 1.630 1.620 1.00 0.00 O ATOM 475 CB ASN A 31 -12.039 1.380 4.824 1.00 0.00 C ATOM 476 CG ASN A 31 -13.224 0.576 4.302 1.00 0.00 C ATOM 477 OD1 ASN A 31 -14.356 1.035 4.393 1.00 0.00 O ATOM 478 ND2 ASN A 31 -12.998 -0.634 3.822 1.00 0.00 N ATOM 0 H ASN A 31 -10.725 3.390 5.288 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.488 1.467 3.326 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.356 0.710 5.347 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.395 2.106 5.555 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.778 -1.215 3.514 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.043 -0.988 3.759 1.00 0.00 H new ATOM 485 N ASP A 32 -12.792 3.629 2.515 1.00 0.00 N ATOM 486 CA ASP A 32 -13.605 4.120 1.406 1.00 0.00 C ATOM 487 C ASP A 32 -12.821 4.117 0.086 1.00 0.00 C ATOM 488 O ASP A 32 -13.334 3.694 -0.945 1.00 0.00 O ATOM 489 CB ASP A 32 -14.112 5.534 1.736 1.00 0.00 C ATOM 490 CG ASP A 32 -15.620 5.635 1.536 1.00 0.00 C ATOM 491 OD1 ASP A 32 -16.095 5.632 0.380 1.00 0.00 O ATOM 492 OD2 ASP A 32 -16.354 5.726 2.540 1.00 0.00 O ATOM 0 H ASP A 32 -12.731 4.289 3.290 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.455 3.450 1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.861 5.783 2.767 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.608 6.262 1.101 1.00 0.00 H new ATOM 497 N ASP A 33 -11.554 4.544 0.105 1.00 0.00 N ATOM 498 CA ASP A 33 -10.682 4.577 -1.073 1.00 0.00 C ATOM 499 C ASP A 33 -10.423 3.168 -1.583 1.00 0.00 C ATOM 500 O ASP A 33 -10.546 2.916 -2.779 1.00 0.00 O ATOM 501 CB ASP A 33 -9.330 5.260 -0.779 1.00 0.00 C ATOM 502 CG ASP A 33 -9.157 6.500 -1.643 1.00 0.00 C ATOM 503 OD1 ASP A 33 -9.985 7.422 -1.483 1.00 0.00 O ATOM 504 OD2 ASP A 33 -8.198 6.553 -2.449 1.00 0.00 O ATOM 0 H ASP A 33 -11.099 4.882 0.953 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.203 5.161 -1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.276 5.534 0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.515 4.562 -0.968 1.00 0.00 H new ATOM 509 N TRP A 34 -10.077 2.246 -0.673 1.00 0.00 N ATOM 510 CA TRP A 34 -9.865 0.843 -1.014 1.00 0.00 C ATOM 511 C TRP A 34 -11.138 0.274 -1.648 1.00 0.00 C ATOM 512 O TRP A 34 -11.083 -0.370 -2.696 1.00 0.00 O ATOM 513 CB TRP A 34 -9.456 0.032 0.219 1.00 0.00 C ATOM 514 CG TRP A 34 -9.523 -1.452 0.034 1.00 0.00 C ATOM 515 CD1 TRP A 34 -10.522 -2.272 0.436 1.00 0.00 C ATOM 516 CD2 TRP A 34 -8.579 -2.302 -0.681 1.00 0.00 C ATOM 517 NE1 TRP A 34 -10.227 -3.566 0.051 1.00 0.00 N ATOM 518 CE2 TRP A 34 -9.019 -3.651 -0.601 1.00 0.00 C ATOM 519 CE3 TRP A 34 -7.407 -2.060 -1.417 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -8.289 -4.716 -1.148 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -6.658 -3.110 -1.966 1.00 0.00 C ATOM 522 CH2 TRP A 34 -7.086 -4.442 -1.820 1.00 0.00 C ATOM 0 H TRP A 34 -9.938 2.457 0.315 1.00 0.00 H new ATOM 0 HA TRP A 34 -9.049 0.774 -1.733 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.438 0.305 0.497 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -10.100 0.311 1.053 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -11.408 -1.964 0.972 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -10.835 -4.365 0.230 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.076 -1.042 -1.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -8.646 -5.731 -1.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.747 -2.895 -2.504 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -6.493 -5.250 -2.222 1.00 0.00 H new ATOM 533 N GLN A 35 -12.292 0.538 -1.023 1.00 0.00 N ATOM 534 CA GLN A 35 -13.586 0.104 -1.515 1.00 0.00 C ATOM 535 C GLN A 35 -13.777 0.598 -2.949 1.00 0.00 C ATOM 536 O GLN A 35 -13.939 -0.225 -3.843 1.00 0.00 O ATOM 537 CB GLN A 35 -14.723 0.582 -0.599 1.00 0.00 C ATOM 538 CG GLN A 35 -14.829 -0.177 0.732 1.00 0.00 C ATOM 539 CD GLN A 35 -15.728 -1.410 0.630 1.00 0.00 C ATOM 540 OE1 GLN A 35 -15.511 -2.282 -0.212 1.00 0.00 O ATOM 541 NE2 GLN A 35 -16.748 -1.504 1.471 1.00 0.00 N ATOM 0 H GLN A 35 -12.344 1.066 -0.152 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.617 -0.986 -1.512 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.582 1.642 -0.388 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.668 0.487 -1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.833 -0.482 1.053 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.220 0.492 1.499 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.910 -0.770 2.161 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.371 -2.310 1.428 1.00 0.00 H new ATOM 550 N ARG A 36 -13.715 1.913 -3.179 1.00 0.00 N ATOM 551 CA ARG A 36 -13.913 2.557 -4.483 1.00 0.00 C ATOM 552 C ARG A 36 -12.847 2.188 -5.516 1.00 0.00 C ATOM 553 O ARG A 36 -13.016 2.513 -6.690 1.00 0.00 O ATOM 554 CB ARG A 36 -13.909 4.080 -4.273 1.00 0.00 C ATOM 555 CG ARG A 36 -15.173 4.597 -3.564 1.00 0.00 C ATOM 556 CD ARG A 36 -14.833 5.786 -2.642 1.00 0.00 C ATOM 557 NE ARG A 36 -15.759 6.920 -2.772 1.00 0.00 N ATOM 558 CZ ARG A 36 -15.768 7.793 -3.785 1.00 0.00 C ATOM 559 NH1 ARG A 36 -14.878 7.688 -4.766 1.00 0.00 N ATOM 560 NH2 ARG A 36 -16.652 8.780 -3.810 1.00 0.00 N ATOM 0 H ARG A 36 -13.518 2.583 -2.436 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.864 2.203 -4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.033 4.357 -3.687 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.815 4.574 -5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.911 4.904 -4.305 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.622 3.794 -2.980 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.835 5.444 -1.607 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.822 6.127 -2.863 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.448 7.051 -2.032 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.185 6.940 -4.748 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.888 8.356 -5.537 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.330 8.877 -3.054 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.654 9.443 -4.585 1.00 0.00 H new ATOM 696 N LEU A 45 -6.748 -7.872 -8.490 1.00 0.00 N ATOM 697 CA LEU A 45 -6.088 -8.455 -7.333 1.00 0.00 C ATOM 698 C LEU A 45 -5.690 -9.891 -7.641 1.00 0.00 C ATOM 699 O LEU A 45 -6.469 -10.666 -8.204 1.00 0.00 O ATOM 700 CB LEU A 45 -7.002 -8.397 -6.103 1.00 0.00 C ATOM 701 CG LEU A 45 -7.218 -6.961 -5.603 1.00 0.00 C ATOM 702 CD1 LEU A 45 -8.346 -6.939 -4.566 1.00 0.00 C ATOM 703 CD2 LEU A 45 -5.952 -6.392 -4.943 1.00 0.00 C ATOM 0 HA LEU A 45 -5.190 -7.880 -7.110 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.966 -8.843 -6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.568 -8.996 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.471 -6.350 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.496 -5.919 -4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.266 -7.305 -5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.079 -7.578 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.145 -5.375 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.675 -7.013 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.137 -6.384 -5.666 1.00 0.00 H new ATOM 715 N GLN A 46 -4.465 -10.255 -7.278 1.00 0.00 N ATOM 716 CA GLN A 46 -3.852 -11.530 -7.606 1.00 0.00 C ATOM 717 C GLN A 46 -2.867 -11.914 -6.492 1.00 0.00 C ATOM 718 O GLN A 46 -2.517 -11.097 -5.632 1.00 0.00 O ATOM 719 CB GLN A 46 -3.267 -11.452 -9.030 1.00 0.00 C ATOM 720 CG GLN A 46 -2.331 -10.265 -9.211 1.00 0.00 C ATOM 721 CD GLN A 46 -1.857 -10.021 -10.636 1.00 0.00 C ATOM 722 OE1 GLN A 46 -2.131 -10.770 -11.575 1.00 0.00 O ATOM 723 NE2 GLN A 46 -1.178 -8.906 -10.832 1.00 0.00 N ATOM 0 H GLN A 46 -3.855 -9.649 -6.730 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.573 -12.347 -7.639 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.727 -12.373 -9.248 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.082 -11.382 -9.751 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.837 -9.367 -8.855 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.458 -10.412 -8.575 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.959 -8.297 -10.044 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.872 -8.654 -11.772 1.00 0.00 H new ATOM 732 N TYR A 47 -2.491 -13.192 -6.436 1.00 0.00 N ATOM 733 CA TYR A 47 -1.857 -13.776 -5.258 1.00 0.00 C ATOM 734 C TYR A 47 -0.438 -13.232 -5.130 1.00 0.00 C ATOM 735 O TYR A 47 0.439 -13.597 -5.923 1.00 0.00 O ATOM 736 CB TYR A 47 -1.912 -15.312 -5.321 1.00 0.00 C ATOM 737 CG TYR A 47 -3.304 -15.865 -5.583 1.00 0.00 C ATOM 738 CD1 TYR A 47 -4.409 -15.361 -4.867 1.00 0.00 C ATOM 739 CD2 TYR A 47 -3.505 -16.852 -6.569 1.00 0.00 C ATOM 740 CE1 TYR A 47 -5.710 -15.790 -5.173 1.00 0.00 C ATOM 741 CE2 TYR A 47 -4.805 -17.308 -6.859 1.00 0.00 C ATOM 742 CZ TYR A 47 -5.915 -16.767 -6.172 1.00 0.00 C ATOM 743 OH TYR A 47 -7.171 -17.185 -6.483 1.00 0.00 O ATOM 0 H TYR A 47 -2.618 -13.849 -7.206 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.400 -13.491 -4.357 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.240 -15.659 -6.106 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.541 -15.719 -4.380 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.253 -14.640 -4.078 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.660 -17.259 -7.103 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.554 -15.373 -4.644 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.954 -18.072 -7.607 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.125 -17.859 -7.193 1.00 0.00 H new ATOM 753 N GLY A 48 -0.239 -12.317 -4.180 1.00 0.00 N ATOM 754 CA GLY A 48 1.035 -11.678 -3.901 1.00 0.00 C ATOM 755 C GLY A 48 1.021 -10.155 -3.995 1.00 0.00 C ATOM 756 O GLY A 48 2.087 -9.568 -3.829 1.00 0.00 O ATOM 0 H GLY A 48 -0.988 -11.994 -3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.357 -11.963 -2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.779 -12.064 -4.597 1.00 0.00 H new ATOM 760 N ASP A 49 -0.138 -9.516 -4.210 1.00 0.00 N ATOM 761 CA ASP A 49 -0.324 -8.068 -4.420 1.00 0.00 C ATOM 762 C ASP A 49 0.257 -7.121 -3.355 1.00 0.00 C ATOM 763 O ASP A 49 0.329 -5.924 -3.608 1.00 0.00 O ATOM 764 CB ASP A 49 -1.833 -7.782 -4.506 1.00 0.00 C ATOM 765 CG ASP A 49 -2.237 -7.352 -5.892 1.00 0.00 C ATOM 766 OD1 ASP A 49 -2.438 -8.242 -6.741 1.00 0.00 O ATOM 767 OD2 ASP A 49 -2.309 -6.140 -6.154 1.00 0.00 O ATOM 0 H ASP A 49 -1.023 -10.022 -4.244 1.00 0.00 H new ATOM 0 HA ASP A 49 0.235 -7.857 -5.332 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.390 -8.676 -4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.098 -7.003 -3.791 1.00 0.00 H new ATOM 772 N LYS A 50 0.601 -7.648 -2.175 1.00 0.00 N ATOM 773 CA LYS A 50 1.117 -7.048 -0.944 1.00 0.00 C ATOM 774 C LYS A 50 0.412 -5.768 -0.496 1.00 0.00 C ATOM 775 O LYS A 50 0.384 -4.764 -1.207 1.00 0.00 O ATOM 776 CB LYS A 50 2.625 -6.800 -1.058 1.00 0.00 C ATOM 777 CG LYS A 50 3.369 -6.824 0.295 1.00 0.00 C ATOM 778 CD LYS A 50 4.836 -6.420 0.079 1.00 0.00 C ATOM 779 CE LYS A 50 5.618 -7.600 -0.509 1.00 0.00 C ATOM 780 NZ LYS A 50 6.943 -7.226 -1.037 1.00 0.00 N ATOM 0 H LYS A 50 0.508 -8.656 -2.047 1.00 0.00 H new ATOM 0 HA LYS A 50 0.905 -7.783 -0.168 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.059 -7.556 -1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.789 -5.833 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.892 -6.140 0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.316 -7.820 0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.892 -5.564 -0.593 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.281 -6.112 1.025 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.745 -8.361 0.261 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.031 -8.051 -1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.416 -8.070 -1.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.829 -6.522 -1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.520 -6.822 -0.272 1.00 0.00 H new ATOM 794 N LEU A 51 -0.069 -5.742 0.741 1.00 0.00 N ATOM 795 CA LEU A 51 -0.504 -4.503 1.366 1.00 0.00 C ATOM 796 C LEU A 51 0.484 -4.155 2.456 1.00 0.00 C ATOM 797 O LEU A 51 0.914 -5.017 3.220 1.00 0.00 O ATOM 798 CB LEU A 51 -1.937 -4.609 1.917 1.00 0.00 C ATOM 799 CG LEU A 51 -2.974 -4.148 0.879 1.00 0.00 C ATOM 800 CD1 LEU A 51 -4.363 -4.644 1.260 1.00 0.00 C ATOM 801 CD2 LEU A 51 -3.053 -2.622 0.777 1.00 0.00 C ATOM 0 H LEU A 51 -0.167 -6.568 1.331 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.529 -3.709 0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.142 -5.640 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.028 -4.002 2.818 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.652 -4.561 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.086 -4.310 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.362 -5.733 1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.637 -4.245 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.799 -2.345 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.336 -2.207 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.081 -2.226 0.482 1.00 0.00 H new ATOM 813 N VAL A 52 0.784 -2.869 2.534 1.00 0.00 N ATOM 814 CA VAL A 52 1.394 -2.217 3.667 1.00 0.00 C ATOM 815 C VAL A 52 0.318 -1.278 4.213 1.00 0.00 C ATOM 816 O VAL A 52 -0.566 -0.815 3.490 1.00 0.00 O ATOM 817 CB VAL A 52 2.704 -1.538 3.210 1.00 0.00 C ATOM 818 CG1 VAL A 52 3.338 -0.600 4.247 1.00 0.00 C ATOM 819 CG2 VAL A 52 3.741 -2.617 2.874 1.00 0.00 C ATOM 0 H VAL A 52 0.597 -2.224 1.766 1.00 0.00 H new ATOM 0 HA VAL A 52 1.703 -2.885 4.471 1.00 0.00 H new ATOM 0 HB VAL A 52 2.428 -0.929 2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.252 -0.170 3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.638 0.199 4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.574 -1.163 5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.668 -2.143 2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.933 -3.225 3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.360 -3.251 2.074 1.00 0.00 H new ATOM 829 N ASP A 53 0.382 -1.029 5.507 1.00 0.00 N ATOM 830 CA ASP A 53 -0.484 -0.249 6.347 1.00 0.00 C ATOM 831 C ASP A 53 0.371 0.695 7.184 1.00 0.00 C ATOM 832 O ASP A 53 1.600 0.584 7.238 1.00 0.00 O ATOM 833 CB ASP A 53 -1.303 -1.200 7.239 1.00 0.00 C ATOM 834 CG ASP A 53 -0.620 -1.723 8.506 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.622 -1.811 8.574 1.00 0.00 O ATOM 836 OD2 ASP A 53 -1.362 -2.010 9.460 1.00 0.00 O ATOM 0 H ASP A 53 1.145 -1.424 6.057 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.177 0.344 5.751 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.217 -0.685 7.535 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.601 -2.058 6.636 1.00 0.00 H new ATOM 841 N SER A 54 -0.305 1.590 7.890 1.00 0.00 N ATOM 842 CA SER A 54 0.284 2.566 8.804 1.00 0.00 C ATOM 843 C SER A 54 1.142 1.916 9.912 1.00 0.00 C ATOM 844 O SER A 54 1.988 2.577 10.524 1.00 0.00 O ATOM 845 CB SER A 54 -0.886 3.348 9.409 1.00 0.00 C ATOM 846 OG SER A 54 -0.497 4.563 10.006 1.00 0.00 O ATOM 0 H SER A 54 -1.321 1.661 7.842 1.00 0.00 H new ATOM 0 HA SER A 54 0.970 3.214 8.258 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.619 3.553 8.628 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.381 2.727 10.155 1.00 0.00 H new ATOM 0 HG SER A 54 -1.286 5.015 10.372 1.00 0.00 H new ATOM 852 N ASN A 55 0.928 0.629 10.189 1.00 0.00 N ATOM 853 CA ASN A 55 1.470 -0.106 11.323 1.00 0.00 C ATOM 854 C ASN A 55 2.712 -0.923 10.956 1.00 0.00 C ATOM 855 O ASN A 55 3.265 -1.592 11.829 1.00 0.00 O ATOM 856 CB ASN A 55 0.370 -1.031 11.862 1.00 0.00 C ATOM 857 CG ASN A 55 0.346 -1.088 13.375 1.00 0.00 C ATOM 858 OD1 ASN A 55 0.660 -2.098 13.990 1.00 0.00 O ATOM 859 ND2 ASN A 55 -0.111 -0.030 14.024 1.00 0.00 N ATOM 0 H ASN A 55 0.340 0.044 9.595 1.00 0.00 H new ATOM 0 HA ASN A 55 1.785 0.611 12.081 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.599 -0.687 11.500 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.519 -2.036 11.467 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.202 -0.055 15.040 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.372 0.811 13.509 1.00 0.00 H new ATOM 866 N PHE A 56 3.153 -0.884 9.692 1.00 0.00 N ATOM 867 CA PHE A 56 4.214 -1.720 9.124 1.00 0.00 C ATOM 868 C PHE A 56 3.892 -3.229 9.215 1.00 0.00 C ATOM 869 O PHE A 56 4.771 -4.051 8.963 1.00 0.00 O ATOM 870 CB PHE A 56 5.603 -1.349 9.687 1.00 0.00 C ATOM 871 CG PHE A 56 6.189 -0.024 9.210 1.00 0.00 C ATOM 872 CD1 PHE A 56 5.549 1.204 9.480 1.00 0.00 C ATOM 873 CD2 PHE A 56 7.398 -0.020 8.483 1.00 0.00 C ATOM 874 CE1 PHE A 56 6.105 2.414 9.028 1.00 0.00 C ATOM 875 CE2 PHE A 56 7.950 1.192 8.029 1.00 0.00 C ATOM 876 CZ PHE A 56 7.307 2.411 8.302 1.00 0.00 C ATOM 0 H PHE A 56 2.760 -0.238 9.007 1.00 0.00 H new ATOM 0 HA PHE A 56 4.257 -1.502 8.057 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.536 -1.323 10.775 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.301 -2.145 9.430 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.625 1.215 10.038 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.902 -0.952 8.274 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.606 3.348 9.240 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.873 1.185 7.468 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.735 3.340 7.956 1.00 0.00 H new ATOM 886 N HIS A 57 2.646 -3.639 9.477 1.00 0.00 N ATOM 887 CA HIS A 57 2.201 -5.015 9.266 1.00 0.00 C ATOM 888 C HIS A 57 2.121 -5.305 7.767 1.00 0.00 C ATOM 889 O HIS A 57 1.237 -4.775 7.094 1.00 0.00 O ATOM 890 CB HIS A 57 0.821 -5.226 9.888 1.00 0.00 C ATOM 891 CG HIS A 57 0.774 -5.238 11.388 1.00 0.00 C ATOM 892 ND1 HIS A 57 -0.322 -4.905 12.156 1.00 0.00 N ATOM 893 CD2 HIS A 57 1.757 -5.705 12.218 1.00 0.00 C ATOM 894 CE1 HIS A 57 -0.009 -5.186 13.432 1.00 0.00 C ATOM 895 NE2 HIS A 57 1.229 -5.708 13.512 1.00 0.00 N ATOM 0 H HIS A 57 1.919 -3.023 9.842 1.00 0.00 H new ATOM 0 HA HIS A 57 2.916 -5.689 9.737 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.158 -4.439 9.529 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.420 -6.172 9.523 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.204 -4.518 11.819 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.751 -6.012 11.928 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.661 -5.017 14.277 1.00 0.00 H new ATOM 903 N CYS A 58 3.049 -6.079 7.207 1.00 0.00 N ATOM 904 CA CYS A 58 2.933 -6.465 5.808 1.00 0.00 C ATOM 905 C CYS A 58 1.794 -7.478 5.702 1.00 0.00 C ATOM 906 O CYS A 58 1.555 -8.253 6.634 1.00 0.00 O ATOM 907 CB CYS A 58 4.259 -7.055 5.317 1.00 0.00 C ATOM 908 SG CYS A 58 4.451 -6.821 3.542 1.00 0.00 S ATOM 0 H CYS A 58 3.871 -6.443 7.690 1.00 0.00 H new ATOM 0 HA CYS A 58 2.713 -5.603 5.179 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.089 -6.581 5.842 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.298 -8.118 5.554 1.00 0.00 H new ATOM 0 HG CYS A 58 5.584 -7.329 3.157 1.00 0.00 H new ATOM 914 N PHE A 59 1.137 -7.530 4.550 1.00 0.00 N ATOM 915 CA PHE A 59 0.073 -8.473 4.250 1.00 0.00 C ATOM 916 C PHE A 59 0.245 -8.966 2.823 1.00 0.00 C ATOM 917 O PHE A 59 0.784 -8.247 1.987 1.00 0.00 O ATOM 918 CB PHE A 59 -1.285 -7.787 4.415 1.00 0.00 C ATOM 919 CG PHE A 59 -1.543 -7.258 5.807 1.00 0.00 C ATOM 920 CD1 PHE A 59 -1.812 -8.154 6.853 1.00 0.00 C ATOM 921 CD2 PHE A 59 -1.473 -5.877 6.066 1.00 0.00 C ATOM 922 CE1 PHE A 59 -1.931 -7.679 8.168 1.00 0.00 C ATOM 923 CE2 PHE A 59 -1.671 -5.399 7.371 1.00 0.00 C ATOM 924 CZ PHE A 59 -1.893 -6.299 8.426 1.00 0.00 C ATOM 0 H PHE A 59 1.338 -6.896 3.776 1.00 0.00 H new ATOM 0 HA PHE A 59 0.119 -9.320 4.935 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.352 -6.962 3.706 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.072 -8.495 4.155 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.927 -9.208 6.646 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.267 -5.186 5.262 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.052 -8.376 8.984 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.653 -4.337 7.564 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.034 -5.931 9.432 1.00 0.00 H new ATOM 934 N VAL A 60 -0.245 -10.163 2.526 1.00 0.00 N ATOM 935 CA VAL A 60 -0.148 -10.871 1.258 1.00 0.00 C ATOM 936 C VAL A 60 -1.482 -11.589 1.033 1.00 0.00 C ATOM 937 O VAL A 60 -2.033 -12.182 1.953 1.00 0.00 O ATOM 938 CB VAL A 60 1.050 -11.846 1.327 1.00 0.00 C ATOM 939 CG1 VAL A 60 1.035 -12.900 0.218 1.00 0.00 C ATOM 940 CG2 VAL A 60 2.380 -11.085 1.189 1.00 0.00 C ATOM 0 H VAL A 60 -0.760 -10.705 3.220 1.00 0.00 H new ATOM 0 HA VAL A 60 0.030 -10.201 0.417 1.00 0.00 H new ATOM 0 HB VAL A 60 0.960 -12.338 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.902 -13.552 0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.124 -13.493 0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.068 -12.407 -0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.210 -11.790 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.404 -10.565 0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.470 -10.360 1.998 1.00 0.00 H new ATOM 950 N LEU A 61 -2.011 -11.507 -0.185 1.00 0.00 N ATOM 951 CA LEU A 61 -3.221 -12.171 -0.638 1.00 0.00 C ATOM 952 C LEU A 61 -2.859 -13.609 -0.983 1.00 0.00 C ATOM 953 O LEU A 61 -1.889 -13.825 -1.723 1.00 0.00 O ATOM 954 CB LEU A 61 -3.784 -11.477 -1.903 1.00 0.00 C ATOM 955 CG LEU A 61 -5.142 -12.078 -2.328 1.00 0.00 C ATOM 956 CD1 LEU A 61 -6.277 -11.710 -1.363 1.00 0.00 C ATOM 957 CD2 LEU A 61 -5.517 -11.611 -3.737 1.00 0.00 C ATOM 0 H LEU A 61 -1.581 -10.944 -0.919 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.978 -12.129 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.902 -10.411 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.070 -11.576 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.020 -13.161 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.208 -12.158 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.043 -12.084 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.387 -10.626 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.476 -12.044 -4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.591 -10.524 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.751 -11.933 -4.443 1.00 0.00 H new ATOM 969 N GLU A 62 -3.659 -14.564 -0.521 1.00 0.00 N ATOM 970 CA GLU A 62 -3.477 -15.984 -0.790 1.00 0.00 C ATOM 971 C GLU A 62 -4.773 -16.563 -1.383 1.00 0.00 C ATOM 972 O GLU A 62 -5.802 -15.881 -1.438 1.00 0.00 O ATOM 973 CB GLU A 62 -3.004 -16.691 0.493 1.00 0.00 C ATOM 974 CG GLU A 62 -1.769 -16.015 1.126 1.00 0.00 C ATOM 975 CD GLU A 62 -0.921 -16.964 1.977 1.00 0.00 C ATOM 976 OE1 GLU A 62 -1.441 -17.541 2.954 1.00 0.00 O ATOM 977 OE2 GLU A 62 0.276 -17.154 1.648 1.00 0.00 O ATOM 0 H GLU A 62 -4.471 -14.367 0.064 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.699 -16.148 -1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.818 -16.702 1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.767 -17.730 0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.148 -15.597 0.334 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.099 -15.181 1.746 1.00 0.00 H new ATOM 984 N GLU A 63 -4.725 -17.804 -1.873 1.00 0.00 N ATOM 985 CA GLU A 63 -5.777 -18.403 -2.698 1.00 0.00 C ATOM 986 C GLU A 63 -7.072 -18.606 -1.915 1.00 0.00 C ATOM 987 O GLU A 63 -8.164 -18.493 -2.483 1.00 0.00 O ATOM 988 CB GLU A 63 -5.346 -19.740 -3.322 1.00 0.00 C ATOM 989 CG GLU A 63 -3.924 -19.757 -3.904 1.00 0.00 C ATOM 990 CD GLU A 63 -2.937 -20.351 -2.898 1.00 0.00 C ATOM 991 OE1 GLU A 63 -2.674 -19.722 -1.846 1.00 0.00 O ATOM 992 OE2 GLU A 63 -2.456 -21.484 -3.151 1.00 0.00 O ATOM 0 H GLU A 63 -3.939 -18.432 -1.704 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.958 -17.690 -3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.421 -20.519 -2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.049 -19.998 -4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.909 -20.341 -4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.620 -18.743 -4.165 1.00 0.00 H new ATOM 999 N ASP A 64 -6.970 -18.817 -0.599 1.00 0.00 N ATOM 1000 CA ASP A 64 -8.101 -18.859 0.331 1.00 0.00 C ATOM 1001 C ASP A 64 -8.800 -17.503 0.484 1.00 0.00 C ATOM 1002 O ASP A 64 -9.692 -17.342 1.314 1.00 0.00 O ATOM 1003 CB ASP A 64 -7.677 -19.435 1.688 1.00 0.00 C ATOM 1004 CG ASP A 64 -8.887 -19.871 2.524 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -9.860 -20.406 1.946 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -8.818 -19.803 3.776 1.00 0.00 O ATOM 0 H ASP A 64 -6.072 -18.968 -0.139 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.841 -19.530 -0.105 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.017 -20.288 1.531 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.105 -18.687 2.238 1.00 0.00 H new ATOM 1011 N ALA A 65 -8.431 -16.527 -0.354 1.00 0.00 N ATOM 1012 CA ALA A 65 -9.107 -15.258 -0.550 1.00 0.00 C ATOM 1013 C ALA A 65 -9.096 -14.412 0.719 1.00 0.00 C ATOM 1014 O ALA A 65 -9.997 -13.593 0.939 1.00 0.00 O ATOM 1015 CB ALA A 65 -10.507 -15.506 -1.108 1.00 0.00 C ATOM 0 H ALA A 65 -7.603 -16.616 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.564 -14.667 -1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.014 -14.552 -1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.431 -16.028 -2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.076 -16.115 -0.406 1.00 0.00 H new ATOM 1021 N HIS A 66 -8.066 -14.622 1.536 1.00 0.00 N ATOM 1022 CA HIS A 66 -7.741 -13.808 2.683 1.00 0.00 C ATOM 1023 C HIS A 66 -6.404 -13.107 2.469 1.00 0.00 C ATOM 1024 O HIS A 66 -5.615 -13.467 1.591 1.00 0.00 O ATOM 1025 CB HIS A 66 -7.820 -14.652 3.965 1.00 0.00 C ATOM 1026 CG HIS A 66 -6.829 -15.789 4.098 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -5.479 -15.733 3.881 1.00 0.00 N flip ATOM 1028 CD2 HIS A 66 -7.109 -17.044 4.591 1.00 0.00 C flip ATOM 1029 CE1 HIS A 66 -4.930 -16.953 4.284 1.00 0.00 C flip ATOM 1030 NE2 HIS A 66 -5.955 -17.723 4.687 1.00 0.00 N flip ATOM 0 H HIS A 66 -7.416 -15.397 1.403 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.474 -13.011 2.806 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.689 -13.986 4.818 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.825 -15.068 4.036 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.088 -17.417 4.855 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.885 -17.225 4.274 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.869 -18.684 5.018 1.00 0.00 H new ATOM 1038 N TRP A 67 -6.145 -12.128 3.325 1.00 0.00 N ATOM 1039 CA TRP A 67 -4.920 -11.367 3.420 1.00 0.00 C ATOM 1040 C TRP A 67 -4.168 -11.895 4.631 1.00 0.00 C ATOM 1041 O TRP A 67 -4.516 -11.579 5.772 1.00 0.00 O ATOM 1042 CB TRP A 67 -5.266 -9.880 3.516 1.00 0.00 C ATOM 1043 CG TRP A 67 -5.664 -9.300 2.196 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -6.888 -9.343 1.623 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -4.791 -8.676 1.220 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -6.824 -8.782 0.359 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -5.557 -8.316 0.076 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -3.411 -8.405 1.186 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -4.985 -7.665 -1.027 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -2.832 -7.751 0.092 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -3.614 -7.357 -1.005 1.00 0.00 C ATOM 0 H TRP A 67 -6.835 -11.830 4.014 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.281 -11.475 2.544 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -6.079 -9.744 4.229 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.406 -9.334 3.905 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.777 -9.751 2.080 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.615 -8.721 -0.283 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.789 -8.706 2.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -5.591 -7.404 -1.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.771 -7.547 0.092 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -3.165 -6.820 -1.827 1.00 0.00 H new ATOM 1062 N HIS A 68 -3.206 -12.783 4.394 1.00 0.00 N ATOM 1063 CA HIS A 68 -2.378 -13.346 5.442 1.00 0.00 C ATOM 1064 C HIS A 68 -1.427 -12.246 5.947 1.00 0.00 C ATOM 1065 O HIS A 68 -0.904 -11.479 5.130 1.00 0.00 O ATOM 1066 CB HIS A 68 -1.610 -14.539 4.843 1.00 0.00 C ATOM 1067 CG HIS A 68 -0.813 -15.344 5.838 1.00 0.00 C ATOM 1068 ND1 HIS A 68 0.453 -15.053 6.293 1.00 0.00 N ATOM 1069 CD2 HIS A 68 -1.201 -16.524 6.417 1.00 0.00 C ATOM 1070 CE1 HIS A 68 0.817 -16.030 7.136 1.00 0.00 C ATOM 1071 NE2 HIS A 68 -0.164 -16.940 7.266 1.00 0.00 N ATOM 0 H HIS A 68 -2.982 -13.131 3.461 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.967 -13.701 6.288 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.322 -15.200 4.350 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.934 -14.168 4.073 1.00 0.00 H new ATOM 0 HD1 HIS A 68 1.013 -14.241 6.035 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.135 -17.040 6.250 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.770 -16.079 7.642 1.00 0.00 H new ATOM 1079 N PRO A 69 -1.116 -12.190 7.253 1.00 0.00 N ATOM 1080 CA PRO A 69 -0.106 -11.297 7.809 1.00 0.00 C ATOM 1081 C PRO A 69 1.288 -11.787 7.414 1.00 0.00 C ATOM 1082 O PRO A 69 1.731 -12.857 7.835 1.00 0.00 O ATOM 1083 CB PRO A 69 -0.338 -11.290 9.321 1.00 0.00 C ATOM 1084 CG PRO A 69 -1.002 -12.638 9.582 1.00 0.00 C ATOM 1085 CD PRO A 69 -1.808 -12.902 8.317 1.00 0.00 C ATOM 0 HA PRO A 69 -0.180 -10.279 7.426 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.598 -11.190 9.871 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -0.977 -10.461 9.626 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.263 -13.420 9.755 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.642 -12.604 10.463 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.862 -13.969 8.103 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.833 -12.546 8.424 1.00 0.00 H new ATOM 1093 N ALA A 70 1.987 -11.012 6.592 1.00 0.00 N ATOM 1094 CA ALA A 70 3.275 -11.341 5.994 1.00 0.00 C ATOM 1095 C ALA A 70 4.451 -10.847 6.852 1.00 0.00 C ATOM 1096 O ALA A 70 5.495 -10.453 6.317 1.00 0.00 O ATOM 1097 CB ALA A 70 3.293 -10.796 4.564 1.00 0.00 C ATOM 0 H ALA A 70 1.653 -10.090 6.311 1.00 0.00 H new ATOM 0 HA ALA A 70 3.403 -12.423 5.953 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.249 -11.031 4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.487 -11.253 3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.156 -9.715 4.585 1.00 0.00 H new ATOM 1103 N ALA A 71 4.279 -10.877 8.182 1.00 0.00 N ATOM 1104 CA ALA A 71 5.205 -10.374 9.193 1.00 0.00 C ATOM 1105 C ALA A 71 5.375 -8.839 9.102 1.00 0.00 C ATOM 1106 O ALA A 71 4.885 -8.216 8.157 1.00 0.00 O ATOM 1107 CB ALA A 71 6.513 -11.183 9.154 1.00 0.00 C ATOM 0 H ALA A 71 3.439 -11.278 8.599 1.00 0.00 H new ATOM 0 HA ALA A 71 4.787 -10.530 10.188 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.199 -10.802 9.911 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.298 -12.233 9.354 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.970 -11.088 8.169 1.00 0.00 H new ATOM 1113 N PRO A 72 5.963 -8.177 10.115 1.00 0.00 N ATOM 1114 CA PRO A 72 6.181 -6.736 10.071 1.00 0.00 C ATOM 1115 C PRO A 72 7.207 -6.324 8.997 1.00 0.00 C ATOM 1116 O PRO A 72 7.704 -7.147 8.217 1.00 0.00 O ATOM 1117 CB PRO A 72 6.596 -6.335 11.488 1.00 0.00 C ATOM 1118 CG PRO A 72 7.247 -7.600 12.040 1.00 0.00 C ATOM 1119 CD PRO A 72 6.436 -8.715 11.382 1.00 0.00 C ATOM 0 HA PRO A 72 5.275 -6.208 9.772 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.292 -5.496 11.480 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.737 -6.031 12.087 1.00 0.00 H new ATOM 0 HG2 PRO A 72 8.303 -7.659 11.777 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.187 -7.644 13.127 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.050 -9.602 11.224 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.600 -9.014 12.015 1.00 0.00 H new ATOM 1127 N LEU A 73 7.487 -5.021 8.935 1.00 0.00 N ATOM 1128 CA LEU A 73 8.341 -4.373 7.947 1.00 0.00 C ATOM 1129 C LEU A 73 9.318 -3.432 8.678 1.00 0.00 C ATOM 1130 O LEU A 73 8.914 -2.815 9.670 1.00 0.00 O ATOM 1131 CB LEU A 73 7.367 -3.720 6.947 1.00 0.00 C ATOM 1132 CG LEU A 73 7.938 -3.205 5.618 1.00 0.00 C ATOM 1133 CD1 LEU A 73 6.945 -3.138 4.453 1.00 0.00 C ATOM 1134 CD2 LEU A 73 8.440 -1.809 5.806 1.00 0.00 C ATOM 0 H LEU A 73 7.103 -4.358 9.609 1.00 0.00 H new ATOM 0 HA LEU A 73 8.997 -5.036 7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.588 -4.446 6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.883 -2.882 7.450 1.00 0.00 H new ATOM 0 HG LEU A 73 8.710 -3.929 5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.452 -2.761 3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.552 -4.135 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.124 -2.470 4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.847 -1.439 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.619 -1.167 6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.221 -1.803 6.566 1.00 0.00 H new ATOM 1146 N PRO A 74 10.580 -3.292 8.220 1.00 0.00 N ATOM 1147 CA PRO A 74 11.590 -2.486 8.903 1.00 0.00 C ATOM 1148 C PRO A 74 11.441 -0.991 8.588 1.00 0.00 C ATOM 1149 O PRO A 74 10.870 -0.636 7.559 1.00 0.00 O ATOM 1150 CB PRO A 74 12.936 -3.008 8.385 1.00 0.00 C ATOM 1151 CG PRO A 74 12.633 -3.567 7.000 1.00 0.00 C ATOM 1152 CD PRO A 74 11.179 -4.018 7.106 1.00 0.00 C ATOM 0 HA PRO A 74 11.494 -2.574 9.985 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.677 -2.210 8.336 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.340 -3.778 9.042 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.763 -2.811 6.225 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.293 -4.397 6.749 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.644 -3.810 6.180 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.121 -5.094 7.273 1.00 0.00 H new ATOM 1160 N PRO A 75 12.069 -0.092 9.362 1.00 0.00 N ATOM 1161 CA PRO A 75 12.011 1.351 9.117 1.00 0.00 C ATOM 1162 C PRO A 75 12.583 1.813 7.777 1.00 0.00 C ATOM 1163 O PRO A 75 12.412 2.977 7.430 1.00 0.00 O ATOM 1164 CB PRO A 75 12.776 1.990 10.273 1.00 0.00 C ATOM 1165 CG PRO A 75 13.630 0.870 10.855 1.00 0.00 C ATOM 1166 CD PRO A 75 12.807 -0.381 10.580 1.00 0.00 C ATOM 0 HA PRO A 75 10.965 1.653 9.062 1.00 0.00 H new ATOM 0 HB2 PRO A 75 13.395 2.817 9.926 1.00 0.00 H new ATOM 0 HB3 PRO A 75 12.094 2.394 11.021 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.608 0.821 10.377 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.804 1.010 11.922 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.448 -1.254 10.454 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.132 -0.598 11.408 1.00 0.00 H new ATOM 1174 N GLU A 76 13.272 0.934 7.055 1.00 0.00 N ATOM 1175 CA GLU A 76 13.818 1.159 5.721 1.00 0.00 C ATOM 1176 C GLU A 76 13.042 0.432 4.610 1.00 0.00 C ATOM 1177 O GLU A 76 13.211 0.782 3.439 1.00 0.00 O ATOM 1178 CB GLU A 76 15.296 0.752 5.712 1.00 0.00 C ATOM 1179 CG GLU A 76 15.526 -0.721 6.048 1.00 0.00 C ATOM 1180 CD GLU A 76 16.997 -1.085 5.891 1.00 0.00 C ATOM 1181 OE1 GLU A 76 17.748 -0.924 6.880 1.00 0.00 O ATOM 1182 OE2 GLU A 76 17.389 -1.532 4.790 1.00 0.00 O ATOM 0 H GLU A 76 13.475 -0.003 7.403 1.00 0.00 H new ATOM 0 HA GLU A 76 13.717 2.221 5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.716 0.962 4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.839 1.369 6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.204 -0.921 7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.919 -1.347 5.394 1.00 0.00 H new ATOM 1189 N GLY A 77 12.191 -0.550 4.945 1.00 0.00 N ATOM 1190 CA GLY A 77 11.447 -1.329 3.959 1.00 0.00 C ATOM 1191 C GLY A 77 10.479 -0.447 3.170 1.00 0.00 C ATOM 1192 O GLY A 77 10.315 -0.616 1.962 1.00 0.00 O ATOM 0 H GLY A 77 12.003 -0.822 5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.143 -1.812 3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.893 -2.122 4.462 1.00 0.00 H new ATOM 1196 N LEU A 78 9.857 0.521 3.855 1.00 0.00 N ATOM 1197 CA LEU A 78 8.931 1.495 3.286 1.00 0.00 C ATOM 1198 C LEU A 78 9.612 2.169 2.095 1.00 0.00 C ATOM 1199 O LEU A 78 9.058 2.283 1.002 1.00 0.00 O ATOM 1200 CB LEU A 78 8.572 2.512 4.393 1.00 0.00 C ATOM 1201 CG LEU A 78 7.963 3.847 3.912 1.00 0.00 C ATOM 1202 CD1 LEU A 78 6.631 3.649 3.183 1.00 0.00 C ATOM 1203 CD2 LEU A 78 7.733 4.764 5.115 1.00 0.00 C ATOM 0 H LEU A 78 9.993 0.648 4.858 1.00 0.00 H new ATOM 0 HA LEU A 78 8.012 1.027 2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.868 2.040 5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.474 2.732 4.964 1.00 0.00 H new ATOM 0 HG LEU A 78 8.669 4.292 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.243 4.617 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.785 3.015 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.916 3.175 3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.303 5.707 4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.048 4.283 5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.683 4.956 5.613 1.00 0.00 H new ATOM 1215 N ASN A 79 10.847 2.586 2.340 1.00 0.00 N ATOM 1216 CA ASN A 79 11.683 3.412 1.498 1.00 0.00 C ATOM 1217 C ASN A 79 12.240 2.596 0.329 1.00 0.00 C ATOM 1218 O ASN A 79 12.705 3.199 -0.639 1.00 0.00 O ATOM 1219 CB ASN A 79 12.832 4.022 2.339 1.00 0.00 C ATOM 1220 CG ASN A 79 12.402 4.504 3.730 1.00 0.00 C ATOM 1221 OD1 ASN A 79 11.931 3.719 4.541 1.00 0.00 O ATOM 1222 ND2 ASN A 79 12.567 5.760 4.103 1.00 0.00 N ATOM 0 H ASN A 79 11.323 2.331 3.205 1.00 0.00 H new ATOM 0 HA ASN A 79 11.082 4.222 1.086 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.620 3.278 2.452 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.262 4.861 1.792 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.304 6.051 5.045 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.957 6.439 3.450 1.00 0.00 H new ATOM 1229 N ASP A 80 12.221 1.259 0.392 1.00 0.00 N ATOM 1230 CA ASP A 80 12.541 0.358 -0.722 1.00 0.00 C ATOM 1231 C ASP A 80 11.310 0.142 -1.608 1.00 0.00 C ATOM 1232 O ASP A 80 11.403 0.184 -2.837 1.00 0.00 O ATOM 1233 CB ASP A 80 13.038 -1.004 -0.218 1.00 0.00 C ATOM 1234 CG ASP A 80 13.277 -1.933 -1.408 1.00 0.00 C ATOM 1235 OD1 ASP A 80 14.353 -1.843 -2.036 1.00 0.00 O ATOM 1236 OD2 ASP A 80 12.368 -2.719 -1.755 1.00 0.00 O ATOM 0 H ASP A 80 11.975 0.759 1.246 1.00 0.00 H new ATOM 0 HA ASP A 80 13.335 0.830 -1.301 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.960 -0.879 0.350 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.304 -1.443 0.458 1.00 0.00 H new ATOM 1241 N LEU A 81 10.137 -0.045 -0.997 1.00 0.00 N ATOM 1242 CA LEU A 81 8.875 -0.193 -1.717 1.00 0.00 C ATOM 1243 C LEU A 81 8.615 1.044 -2.567 1.00 0.00 C ATOM 1244 O LEU A 81 8.400 0.937 -3.773 1.00 0.00 O ATOM 1245 CB LEU A 81 7.722 -0.437 -0.728 1.00 0.00 C ATOM 1246 CG LEU A 81 7.334 -1.919 -0.648 1.00 0.00 C ATOM 1247 CD1 LEU A 81 8.461 -2.810 -0.113 1.00 0.00 C ATOM 1248 CD2 LEU A 81 6.124 -2.075 0.267 1.00 0.00 C ATOM 0 H LEU A 81 10.039 -0.098 0.017 1.00 0.00 H new ATOM 0 HA LEU A 81 8.939 -1.057 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.013 -0.085 0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.854 0.149 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 81 7.113 -2.240 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.122 -3.846 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.329 -2.732 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.735 -2.487 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.846 -3.127 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.372 -1.709 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.289 -1.501 -0.133 1.00 0.00 H new ATOM 1260 N ILE A 82 8.670 2.222 -1.945 1.00 0.00 N ATOM 1261 CA ILE A 82 8.467 3.503 -2.617 1.00 0.00 C ATOM 1262 C ILE A 82 9.536 3.726 -3.687 1.00 0.00 C ATOM 1263 O ILE A 82 9.228 4.252 -4.754 1.00 0.00 O ATOM 1264 CB ILE A 82 8.371 4.637 -1.581 1.00 0.00 C ATOM 1265 CG1 ILE A 82 7.220 4.434 -0.559 1.00 0.00 C ATOM 1266 CG2 ILE A 82 8.224 5.989 -2.293 1.00 0.00 C ATOM 1267 CD1 ILE A 82 5.843 4.960 -0.985 1.00 0.00 C ATOM 0 H ILE A 82 8.859 2.313 -0.947 1.00 0.00 H new ATOM 0 HA ILE A 82 7.515 3.496 -3.149 1.00 0.00 H new ATOM 0 HB ILE A 82 9.298 4.621 -1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.131 3.368 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.500 4.921 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.157 6.785 -1.552 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.091 6.160 -2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.320 5.983 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.118 4.764 -0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.903 6.034 -1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.528 4.457 -1.899 1.00 0.00 H new ATOM 1279 N ARG A 83 10.765 3.247 -3.475 1.00 0.00 N ATOM 1280 CA ARG A 83 11.810 3.239 -4.500 1.00 0.00 C ATOM 1281 C ARG A 83 11.297 2.617 -5.797 1.00 0.00 C ATOM 1282 O ARG A 83 11.558 3.168 -6.863 1.00 0.00 O ATOM 1283 CB ARG A 83 13.038 2.491 -3.973 1.00 0.00 C ATOM 1284 CG ARG A 83 14.316 3.321 -4.021 1.00 0.00 C ATOM 1285 CD ARG A 83 14.921 3.403 -5.421 1.00 0.00 C ATOM 1286 NE ARG A 83 16.376 3.586 -5.327 1.00 0.00 N ATOM 1287 CZ ARG A 83 17.318 2.969 -6.046 1.00 0.00 C ATOM 1288 NH1 ARG A 83 17.002 2.052 -6.956 1.00 0.00 N ATOM 1289 NH2 ARG A 83 18.589 3.286 -5.837 1.00 0.00 N ATOM 0 H ARG A 83 11.063 2.852 -2.583 1.00 0.00 H new ATOM 0 HA ARG A 83 12.096 4.266 -4.725 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.853 2.181 -2.945 1.00 0.00 H new ATOM 0 HB3 ARG A 83 13.181 1.583 -4.559 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.102 4.328 -3.664 1.00 0.00 H new ATOM 0 HG3 ARG A 83 15.049 2.890 -3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 83 14.695 2.494 -5.978 1.00 0.00 H new ATOM 0 HD3 ARG A 83 14.476 4.232 -5.971 1.00 0.00 H new ATOM 0 HE ARG A 83 16.704 4.260 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 83 16.025 1.808 -7.116 1.00 0.00 H new ATOM 0 HH12 ARG A 83 17.737 1.593 -7.494 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.831 3.989 -5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 83 19.324 2.827 -6.375 1.00 0.00 H new ATOM 1303 N ALA A 84 10.547 1.515 -5.711 1.00 0.00 N ATOM 1304 CA ALA A 84 10.043 0.816 -6.881 1.00 0.00 C ATOM 1305 C ALA A 84 9.036 1.653 -7.667 1.00 0.00 C ATOM 1306 O ALA A 84 9.113 1.681 -8.896 1.00 0.00 O ATOM 1307 CB ALA A 84 9.468 -0.553 -6.483 1.00 0.00 C ATOM 0 H ALA A 84 10.276 1.088 -4.825 1.00 0.00 H new ATOM 0 HA ALA A 84 10.884 0.646 -7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.095 -1.063 -7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.250 -1.155 -6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.651 -0.413 -5.775 1.00 0.00 H new ATOM 1313 N HIS A 85 8.120 2.337 -6.977 1.00 0.00 N ATOM 1314 CA HIS A 85 7.204 3.294 -7.588 1.00 0.00 C ATOM 1315 C HIS A 85 8.027 4.398 -8.241 1.00 0.00 C ATOM 1316 O HIS A 85 7.885 4.634 -9.432 1.00 0.00 O ATOM 1317 CB HIS A 85 6.210 3.827 -6.540 1.00 0.00 C ATOM 1318 CG HIS A 85 5.507 5.128 -6.858 1.00 0.00 C ATOM 1319 ND1 HIS A 85 4.201 5.301 -7.280 1.00 0.00 N ATOM 1320 CD2 HIS A 85 6.024 6.374 -6.611 1.00 0.00 C ATOM 1321 CE1 HIS A 85 3.951 6.623 -7.291 1.00 0.00 C ATOM 1322 NE2 HIS A 85 5.037 7.310 -6.903 1.00 0.00 N ATOM 0 H HIS A 85 7.995 2.239 -5.969 1.00 0.00 H new ATOM 0 HA HIS A 85 6.602 2.816 -8.361 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.450 3.063 -6.375 1.00 0.00 H new ATOM 0 HB3 HIS A 85 6.745 3.953 -5.599 1.00 0.00 H new ATOM 0 HD1 HIS A 85 3.547 4.561 -7.536 1.00 0.00 H new ATOM 0 HD2 HIS A 85 7.020 6.590 -6.253 1.00 0.00 H new ATOM 0 HE1 HIS A 85 3.009 7.069 -7.573 1.00 0.00 H new ATOM 1330 N CYS A 86 8.938 5.041 -7.510 1.00 0.00 N ATOM 1331 CA CYS A 86 9.670 6.178 -8.042 1.00 0.00 C ATOM 1332 C CYS A 86 10.404 5.781 -9.321 1.00 0.00 C ATOM 1333 O CYS A 86 10.350 6.513 -10.307 1.00 0.00 O ATOM 1334 CB CYS A 86 10.663 6.701 -6.997 1.00 0.00 C ATOM 1335 SG CYS A 86 9.807 7.400 -5.554 1.00 0.00 S ATOM 0 H CYS A 86 9.182 4.791 -6.552 1.00 0.00 H new ATOM 0 HA CYS A 86 8.963 6.972 -8.280 1.00 0.00 H new ATOM 0 HB2 CYS A 86 11.316 5.889 -6.676 1.00 0.00 H new ATOM 0 HB3 CYS A 86 11.299 7.463 -7.448 1.00 0.00 H new ATOM 0 HG CYS A 86 10.589 7.344 -4.517 1.00 0.00 H new ATOM 1341 N ALA A 87 11.018 4.597 -9.327 1.00 0.00 N ATOM 1342 CA ALA A 87 11.772 4.087 -10.449 1.00 0.00 C ATOM 1343 C ALA A 87 10.938 3.851 -11.712 1.00 0.00 C ATOM 1344 O ALA A 87 11.539 3.882 -12.791 1.00 0.00 O ATOM 1345 CB ALA A 87 12.490 2.800 -10.022 1.00 0.00 C ATOM 0 H ALA A 87 10.998 3.960 -8.530 1.00 0.00 H new ATOM 0 HA ALA A 87 12.492 4.857 -10.726 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.062 2.407 -10.862 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.164 3.017 -9.194 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.754 2.060 -9.706 1.00 0.00 H new ATOM 1351 N THR A 88 9.606 3.674 -11.647 1.00 0.00 N ATOM 1352 CA THR A 88 8.845 3.387 -12.861 1.00 0.00 C ATOM 1353 C THR A 88 8.292 4.668 -13.472 1.00 0.00 C ATOM 1354 O THR A 88 7.990 4.708 -14.664 1.00 0.00 O ATOM 1355 CB THR A 88 7.939 2.152 -12.665 1.00 0.00 C ATOM 1356 OG1 THR A 88 7.431 1.747 -13.914 1.00 0.00 O ATOM 1357 CG2 THR A 88 6.778 2.241 -11.678 1.00 0.00 C ATOM 0 H THR A 88 9.054 3.724 -10.791 1.00 0.00 H new ATOM 0 HA THR A 88 9.475 3.038 -13.679 1.00 0.00 H new ATOM 0 HB THR A 88 8.614 1.432 -12.201 1.00 0.00 H new ATOM 0 HG1 THR A 88 6.856 0.962 -13.795 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.243 1.292 -11.659 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.163 2.460 -10.682 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.098 3.035 -11.987 1.00 0.00 H new ATOM 1365 N LEU A 89 8.337 5.752 -12.697 1.00 0.00 N ATOM 1366 CA LEU A 89 7.862 7.074 -13.044 1.00 0.00 C ATOM 1367 C LEU A 89 9.020 8.043 -13.288 1.00 0.00 C ATOM 1368 O LEU A 89 8.812 9.132 -13.822 1.00 0.00 O ATOM 1369 CB LEU A 89 7.075 7.565 -11.833 1.00 0.00 C ATOM 1370 CG LEU A 89 5.720 6.893 -11.552 1.00 0.00 C ATOM 1371 CD1 LEU A 89 4.672 7.466 -12.495 1.00 0.00 C ATOM 1372 CD2 LEU A 89 5.585 5.385 -11.682 1.00 0.00 C ATOM 0 H LEU A 89 8.731 5.719 -11.757 1.00 0.00 H new ATOM 0 HA LEU A 89 7.268 7.030 -13.957 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.702 7.441 -10.950 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.902 8.634 -11.954 1.00 0.00 H new ATOM 0 HG LEU A 89 5.596 7.107 -10.490 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.710 6.993 -12.300 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.587 8.541 -12.335 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.968 7.275 -13.527 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.563 5.090 -11.447 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.824 5.085 -12.702 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.272 4.897 -10.990 1.00 0.00 H new ATOM 1384 N GLY A 90 10.240 7.685 -12.880 1.00 0.00 N ATOM 1385 CA GLY A 90 11.401 8.563 -12.904 1.00 0.00 C ATOM 1386 C GLY A 90 11.418 9.574 -11.756 1.00 0.00 C ATOM 1387 O GLY A 90 12.160 10.553 -11.848 1.00 0.00 O ATOM 0 H GLY A 90 10.447 6.755 -12.517 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.307 7.958 -12.860 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.422 9.100 -13.852 1.00 0.00 H new ATOM 1391 N HIS A 91 10.605 9.385 -10.707 1.00 0.00 N ATOM 1392 CA HIS A 91 10.553 10.343 -9.608 1.00 0.00 C ATOM 1393 C HIS A 91 11.794 10.178 -8.724 1.00 0.00 C ATOM 1394 O HIS A 91 12.444 9.128 -8.711 1.00 0.00 O ATOM 1395 CB HIS A 91 9.249 10.194 -8.804 1.00 0.00 C ATOM 1396 CG HIS A 91 8.037 10.764 -9.506 1.00 0.00 C ATOM 1397 ND1 HIS A 91 6.881 10.091 -9.792 1.00 0.00 N flip ATOM 1398 CD2 HIS A 91 7.863 12.070 -9.919 1.00 0.00 C flip ATOM 1399 CE1 HIS A 91 6.014 10.976 -10.440 1.00 0.00 C flip ATOM 1400 NE2 HIS A 91 6.646 12.161 -10.479 1.00 0.00 N flip ATOM 0 H HIS A 91 9.982 8.584 -10.602 1.00 0.00 H new ATOM 0 HA HIS A 91 10.555 11.354 -10.014 1.00 0.00 H new ATOM 0 HB2 HIS A 91 9.077 9.137 -8.600 1.00 0.00 H new ATOM 0 HB3 HIS A 91 9.367 10.690 -7.841 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.577 12.873 -9.811 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.033 10.752 -10.831 1.00 0.00 H new ATOM 0 HE2 HIS A 91 6.255 13.014 -10.879 1.00 0.00 H new ATOM 1494 N HIS A 98 14.291 9.675 2.288 1.00 0.00 N ATOM 1495 CA HIS A 98 13.209 9.294 1.378 1.00 0.00 C ATOM 1496 C HIS A 98 11.846 9.690 1.992 1.00 0.00 C ATOM 1497 O HIS A 98 11.291 10.690 1.550 1.00 0.00 O ATOM 1498 CB HIS A 98 13.397 7.817 0.948 1.00 0.00 C ATOM 1499 CG HIS A 98 12.903 7.401 -0.416 1.00 0.00 C ATOM 1500 ND1 HIS A 98 12.986 6.130 -0.947 1.00 0.00 N ATOM 1501 CD2 HIS A 98 12.238 8.172 -1.327 1.00 0.00 C ATOM 1502 CE1 HIS A 98 12.375 6.143 -2.141 1.00 0.00 C ATOM 1503 NE2 HIS A 98 11.878 7.359 -2.408 1.00 0.00 N ATOM 0 HA HIS A 98 13.236 9.847 0.439 1.00 0.00 H new ATOM 0 HB2 HIS A 98 14.461 7.588 1.000 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.900 7.189 1.688 1.00 0.00 H new ATOM 0 HD1 HIS A 98 13.433 5.324 -0.509 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.027 9.227 -1.230 1.00 0.00 H new ATOM 0 HE1 HIS A 98 12.294 5.290 -2.798 1.00 0.00 H new ATOM 1511 N LEU A 99 11.294 8.995 2.996 1.00 0.00 N ATOM 1512 CA LEU A 99 10.069 9.367 3.717 1.00 0.00 C ATOM 1513 C LEU A 99 10.201 9.051 5.192 1.00 0.00 C ATOM 1514 O LEU A 99 10.902 8.115 5.576 1.00 0.00 O ATOM 1515 CB LEU A 99 8.868 8.591 3.176 1.00 0.00 C ATOM 1516 CG LEU A 99 8.488 8.985 1.744 1.00 0.00 C ATOM 1517 CD1 LEU A 99 7.452 7.970 1.287 1.00 0.00 C ATOM 1518 CD2 LEU A 99 7.919 10.403 1.604 1.00 0.00 C ATOM 0 H LEU A 99 11.703 8.127 3.341 1.00 0.00 H new ATOM 0 HA LEU A 99 9.920 10.437 3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.090 7.524 3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.012 8.757 3.830 1.00 0.00 H new ATOM 0 HG LEU A 99 9.392 8.985 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.142 8.201 0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.884 6.970 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.586 8.011 1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.678 10.597 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.016 10.494 2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.658 11.127 1.946 1.00 0.00 H new ATOM 1530 N HIS A 100 9.454 9.799 6.005 1.00 0.00 N ATOM 1531 CA HIS A 100 9.365 9.590 7.440 1.00 0.00 C ATOM 1532 C HIS A 100 8.498 8.381 7.782 1.00 0.00 C ATOM 1533 O HIS A 100 8.814 7.658 8.723 1.00 0.00 O ATOM 1534 CB HIS A 100 8.794 10.868 8.061 1.00 0.00 C ATOM 1535 CG HIS A 100 8.534 10.857 9.541 1.00 0.00 C ATOM 1536 ND1 HIS A 100 7.305 11.045 10.128 1.00 0.00 N ATOM 1537 CD2 HIS A 100 9.481 10.885 10.526 1.00 0.00 C ATOM 1538 CE1 HIS A 100 7.501 11.214 11.443 1.00 0.00 C ATOM 1539 NE2 HIS A 100 8.812 11.104 11.738 1.00 0.00 N ATOM 0 H HIS A 100 8.886 10.579 5.673 1.00 0.00 H new ATOM 0 HA HIS A 100 10.356 9.380 7.843 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.483 11.685 7.845 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.857 11.099 7.555 1.00 0.00 H new ATOM 0 HD2 HIS A 100 10.546 10.761 10.395 1.00 0.00 H new ATOM 0 HE1 HIS A 100 6.721 11.410 12.163 1.00 0.00 H new ATOM 0 HE2 HIS A 100 9.235 11.168 12.664 1.00 0.00 H new ATOM 1547 N SER A 101 7.393 8.178 7.059 1.00 0.00 N ATOM 1548 CA SER A 101 6.346 7.220 7.449 1.00 0.00 C ATOM 1549 C SER A 101 5.253 7.108 6.368 1.00 0.00 C ATOM 1550 O SER A 101 5.301 7.841 5.376 1.00 0.00 O ATOM 1551 CB SER A 101 5.736 7.666 8.792 1.00 0.00 C ATOM 1552 OG SER A 101 5.408 6.564 9.610 1.00 0.00 O ATOM 0 H SER A 101 7.196 8.671 6.188 1.00 0.00 H new ATOM 0 HA SER A 101 6.794 6.232 7.557 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.442 8.310 9.316 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.841 8.259 8.606 1.00 0.00 H new ATOM 0 HG SER A 101 5.026 6.885 10.453 1.00 0.00 H new ATOM 1558 N VAL A 102 4.242 6.247 6.557 1.00 0.00 N ATOM 1559 CA VAL A 102 3.182 6.003 5.565 1.00 0.00 C ATOM 1560 C VAL A 102 2.362 7.275 5.357 1.00 0.00 C ATOM 1561 O VAL A 102 2.020 7.613 4.227 1.00 0.00 O ATOM 1562 CB VAL A 102 2.268 4.831 5.992 1.00 0.00 C ATOM 1563 CG1 VAL A 102 1.148 4.536 4.973 1.00 0.00 C ATOM 1564 CG2 VAL A 102 3.076 3.542 6.205 1.00 0.00 C ATOM 0 H VAL A 102 4.135 5.696 7.409 1.00 0.00 H new ATOM 0 HA VAL A 102 3.654 5.725 4.623 1.00 0.00 H new ATOM 0 HB VAL A 102 1.809 5.150 6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.541 3.704 5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.520 5.419 4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.590 4.276 4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.405 2.737 6.504 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.578 3.270 5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.820 3.703 6.985 1.00 0.00 H new ATOM 1574 N MET A 103 2.082 8.019 6.428 1.00 0.00 N ATOM 1575 CA MET A 103 1.350 9.279 6.353 1.00 0.00 C ATOM 1576 C MET A 103 2.033 10.279 5.413 1.00 0.00 C ATOM 1577 O MET A 103 1.372 11.111 4.790 1.00 0.00 O ATOM 1578 CB MET A 103 1.296 9.885 7.758 1.00 0.00 C ATOM 1579 CG MET A 103 0.084 10.792 7.945 1.00 0.00 C ATOM 1580 SD MET A 103 -1.395 9.915 8.528 1.00 0.00 S ATOM 1581 CE MET A 103 -2.561 10.263 7.189 1.00 0.00 C ATOM 0 H MET A 103 2.359 7.761 7.375 1.00 0.00 H new ATOM 0 HA MET A 103 0.352 9.077 5.964 1.00 0.00 H new ATOM 0 HB2 MET A 103 1.267 9.084 8.497 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.207 10.455 7.942 1.00 0.00 H new ATOM 0 HG2 MET A 103 0.335 11.578 8.657 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.143 11.281 6.998 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.518 9.788 7.407 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.703 11.340 7.101 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.166 9.871 6.252 1.00 0.00 H new ATOM 1591 N ASP A 104 3.367 10.213 5.345 1.00 0.00 N ATOM 1592 CA ASP A 104 4.188 11.027 4.458 1.00 0.00 C ATOM 1593 C ASP A 104 3.994 10.521 3.029 1.00 0.00 C ATOM 1594 O ASP A 104 3.685 11.290 2.126 1.00 0.00 O ATOM 1595 CB ASP A 104 5.663 10.903 4.879 1.00 0.00 C ATOM 1596 CG ASP A 104 6.510 12.143 4.621 1.00 0.00 C ATOM 1597 OD1 ASP A 104 6.224 12.955 3.717 1.00 0.00 O ATOM 1598 OD2 ASP A 104 7.469 12.324 5.403 1.00 0.00 O ATOM 0 H ASP A 104 3.914 9.574 5.922 1.00 0.00 H new ATOM 0 HA ASP A 104 3.898 12.076 4.515 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.704 10.668 5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 104 6.107 10.061 4.349 1.00 0.00 H new ATOM 1603 N ALA A 105 4.104 9.199 2.849 1.00 0.00 N ATOM 1604 CA ALA A 105 3.990 8.514 1.571 1.00 0.00 C ATOM 1605 C ALA A 105 2.695 8.847 0.844 1.00 0.00 C ATOM 1606 O ALA A 105 2.745 9.177 -0.335 1.00 0.00 O ATOM 1607 CB ALA A 105 4.087 6.995 1.781 1.00 0.00 C ATOM 0 H ALA A 105 4.282 8.560 3.624 1.00 0.00 H new ATOM 0 HA ALA A 105 4.813 8.861 0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.001 6.489 0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.048 6.751 2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.282 6.666 2.438 1.00 0.00 H new ATOM 1613 N ILE A 106 1.545 8.746 1.516 1.00 0.00 N ATOM 1614 CA ILE A 106 0.261 9.017 0.878 1.00 0.00 C ATOM 1615 C ILE A 106 0.284 10.445 0.309 1.00 0.00 C ATOM 1616 O ILE A 106 -0.103 10.644 -0.836 1.00 0.00 O ATOM 1617 CB ILE A 106 -0.900 8.812 1.877 1.00 0.00 C ATOM 1618 CG1 ILE A 106 -0.966 7.392 2.475 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -2.267 9.177 1.270 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -1.291 6.250 1.517 1.00 0.00 C ATOM 0 H ILE A 106 1.480 8.479 2.498 1.00 0.00 H new ATOM 0 HA ILE A 106 0.096 8.317 0.059 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.676 9.500 2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.006 7.177 2.944 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.715 7.393 3.267 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.049 9.016 2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.263 10.225 0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.458 8.550 0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.306 5.308 2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.267 6.422 1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.532 6.203 0.736 1.00 0.00 H new ATOM 1632 N ASP A 107 0.761 11.422 1.088 1.00 0.00 N ATOM 1633 CA ASP A 107 0.761 12.844 0.724 1.00 0.00 C ATOM 1634 C ASP A 107 1.815 13.184 -0.327 1.00 0.00 C ATOM 1635 O ASP A 107 1.691 14.174 -1.049 1.00 0.00 O ATOM 1636 CB ASP A 107 1.035 13.678 1.976 1.00 0.00 C ATOM 1637 CG ASP A 107 0.243 14.986 1.989 1.00 0.00 C ATOM 1638 OD1 ASP A 107 -1.010 14.939 1.917 1.00 0.00 O ATOM 1639 OD2 ASP A 107 0.853 16.066 2.170 1.00 0.00 O ATOM 0 H ASP A 107 1.166 11.243 2.007 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.217 13.070 0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.782 13.094 2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.100 13.901 2.035 1.00 0.00 H new ATOM 1644 N PHE A 108 2.866 12.370 -0.391 1.00 0.00 N ATOM 1645 CA PHE A 108 3.840 12.383 -1.471 1.00 0.00 C ATOM 1646 C PHE A 108 3.163 11.911 -2.762 1.00 0.00 C ATOM 1647 O PHE A 108 2.929 12.728 -3.652 1.00 0.00 O ATOM 1648 CB PHE A 108 5.097 11.567 -1.108 1.00 0.00 C ATOM 1649 CG PHE A 108 6.206 11.629 -2.150 1.00 0.00 C ATOM 1650 CD1 PHE A 108 6.549 12.849 -2.769 1.00 0.00 C ATOM 1651 CD2 PHE A 108 6.889 10.456 -2.525 1.00 0.00 C ATOM 1652 CE1 PHE A 108 7.530 12.886 -3.772 1.00 0.00 C ATOM 1653 CE2 PHE A 108 7.884 10.497 -3.518 1.00 0.00 C ATOM 1654 CZ PHE A 108 8.209 11.714 -4.140 1.00 0.00 C ATOM 0 H PHE A 108 3.065 11.670 0.323 1.00 0.00 H new ATOM 0 HA PHE A 108 4.196 13.400 -1.634 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.488 11.927 -0.156 1.00 0.00 H new ATOM 0 HB3 PHE A 108 4.810 10.526 -0.961 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.054 13.761 -2.469 1.00 0.00 H new ATOM 0 HD2 PHE A 108 6.647 9.518 -2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 108 7.763 13.820 -4.262 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.399 9.591 -3.803 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.978 11.748 -4.898 1.00 0.00 H new ATOM 1664 N LEU A 109 2.825 10.620 -2.854 1.00 0.00 N ATOM 1665 CA LEU A 109 2.224 9.954 -3.993 1.00 0.00 C ATOM 1666 C LEU A 109 0.979 10.665 -4.521 1.00 0.00 C ATOM 1667 O LEU A 109 0.924 10.947 -5.716 1.00 0.00 O ATOM 1668 CB LEU A 109 1.896 8.510 -3.591 1.00 0.00 C ATOM 1669 CG LEU A 109 3.093 7.545 -3.632 1.00 0.00 C ATOM 1670 CD1 LEU A 109 4.194 7.680 -2.583 1.00 0.00 C ATOM 1671 CD2 LEU A 109 2.563 6.111 -3.543 1.00 0.00 C ATOM 0 H LEU A 109 2.979 9.978 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 109 2.942 9.973 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.483 8.513 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.118 8.131 -4.253 1.00 0.00 H new ATOM 0 HG LEU A 109 3.582 7.813 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.959 6.923 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.642 8.671 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.768 7.542 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.399 5.412 -3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.014 5.983 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.899 5.916 -4.385 1.00 0.00 H new ATOM 1683 N ASN A 110 0.002 10.988 -3.664 1.00 0.00 N ATOM 1684 CA ASN A 110 -1.226 11.661 -4.101 1.00 0.00 C ATOM 1685 C ASN A 110 -0.954 13.065 -4.655 1.00 0.00 C ATOM 1686 O ASN A 110 -1.861 13.639 -5.251 1.00 0.00 O ATOM 1687 CB ASN A 110 -2.281 11.776 -2.973 1.00 0.00 C ATOM 1688 CG ASN A 110 -3.270 10.626 -2.779 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -4.088 10.691 -1.863 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -3.301 9.584 -3.595 1.00 0.00 N ATOM 0 H ASN A 110 0.039 10.794 -2.663 1.00 0.00 H new ATOM 0 HA ASN A 110 -1.624 11.028 -4.894 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.747 11.916 -2.033 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.858 12.683 -3.150 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.996 8.850 -3.459 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -2.630 9.515 -4.360 1.00 0.00 H new ATOM 1697 N ALA A 111 0.238 13.639 -4.470 1.00 0.00 N ATOM 1698 CA ALA A 111 0.621 14.922 -5.047 1.00 0.00 C ATOM 1699 C ALA A 111 1.507 14.760 -6.295 1.00 0.00 C ATOM 1700 O ALA A 111 1.788 15.762 -6.953 1.00 0.00 O ATOM 1701 CB ALA A 111 1.308 15.751 -3.957 1.00 0.00 C ATOM 0 H ALA A 111 0.973 13.215 -3.905 1.00 0.00 H new ATOM 0 HA ALA A 111 -0.271 15.443 -5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.604 16.717 -4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.618 15.905 -3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.192 15.222 -3.600 1.00 0.00 H new ATOM 1707 N LEU A 112 1.945 13.538 -6.624 1.00 0.00 N ATOM 1708 CA LEU A 112 2.678 13.216 -7.847 1.00 0.00 C ATOM 1709 C LEU A 112 1.706 12.829 -8.957 1.00 0.00 C ATOM 1710 O LEU A 112 1.868 13.231 -10.113 1.00 0.00 O ATOM 1711 CB LEU A 112 3.610 12.010 -7.621 1.00 0.00 C ATOM 1712 CG LEU A 112 4.758 12.212 -6.623 1.00 0.00 C ATOM 1713 CD1 LEU A 112 5.494 10.880 -6.444 1.00 0.00 C ATOM 1714 CD2 LEU A 112 5.729 13.302 -7.081 1.00 0.00 C ATOM 0 H LEU A 112 1.793 12.725 -6.027 1.00 0.00 H new ATOM 0 HA LEU A 112 3.255 14.098 -8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.005 11.170 -7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.039 11.725 -8.582 1.00 0.00 H new ATOM 0 HG LEU A 112 4.339 12.541 -5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.313 11.009 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.801 10.130 -6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.892 10.552 -7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.526 13.412 -6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.159 13.025 -8.043 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.195 14.247 -7.181 1.00 0.00 H new