USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 879 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 5 CYS SG : rot -107:sc= -0.0302 USER MOD Set 1.2: A 106 MET CE :methyl -153:sc= -0.0828 (180deg=-0.754) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0998 X(o=-0.1,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0233) USER MOD Single : A 6 CYS SG : rot -18:sc= 0.197 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -140:sc= 0.416 (180deg=-0.0991) USER MOD Single : A 18 HIS : no HE2:sc= -2.25! C(o=-2.3!,f=-5.4!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 172:sc= 0.053 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS :FLIP no HD1:sc= -0.0214 F(o=-0.95,f=-0.021) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0442 K(o=-0.044,f=-0.71) USER MOD Single : A 47 MET CE :methyl 149:sc= -0.668 (180deg=-1.99!) USER MOD Single : A 49 MET CE :methyl 149:sc= -1.42 (180deg=-1.8) USER MOD Single : A 50 SER OG : rot 150:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 127:sc= -1.5 USER MOD Single : A 65 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.5!) USER MOD Single : A 74 MET CE :methyl -174:sc= -2.68 (180deg=-2.75!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN :FLIP amide:sc= -2.7! C(o=-3.3!,f=-2.7!) USER MOD Single : A 78 CYS SG : rot 95:sc= 1.04 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.2!) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 91 MET CE :methyl -102:sc= -0.61 (180deg=-2.77) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.0851 X(o=-0.085,f=-0.0028) USER MOD Single : A 101 MET CE :methyl -175:sc= 0 (180deg=-0.0237) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.15 K(o=-0.15,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 171.593 -19.063 10.516 1.00 0.00 N ATOM 2 CA GLU A 1 171.370 -18.549 9.137 1.00 0.00 C ATOM 3 C GLU A 1 172.203 -17.297 8.874 1.00 0.00 C ATOM 4 O GLU A 1 172.296 -16.413 9.727 1.00 0.00 O ATOM 5 CB GLU A 1 169.881 -18.236 8.963 1.00 0.00 C ATOM 6 CG GLU A 1 169.499 -17.826 7.548 1.00 0.00 C ATOM 7 CD GLU A 1 168.001 -17.859 7.316 1.00 0.00 C ATOM 8 OE1 GLU A 1 167.432 -18.970 7.264 1.00 0.00 O ATOM 9 OE2 GLU A 1 167.397 -16.774 7.189 1.00 0.00 O ATOM 0 H1 GLU A 1 171.015 -19.914 10.667 1.00 0.00 H new ATOM 0 H2 GLU A 1 172.598 -19.301 10.640 1.00 0.00 H new ATOM 0 H3 GLU A 1 171.323 -18.334 11.206 1.00 0.00 H new ATOM 0 HA GLU A 1 171.680 -19.309 8.420 1.00 0.00 H new ATOM 0 HB2 GLU A 1 169.300 -19.114 9.246 1.00 0.00 H new ATOM 0 HB3 GLU A 1 169.605 -17.436 9.650 1.00 0.00 H new ATOM 0 HG2 GLU A 1 169.871 -16.820 7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 1 169.988 -18.491 6.836 1.00 0.00 H new ATOM 18 N GLN A 2 172.801 -17.228 7.688 1.00 0.00 N ATOM 19 CA GLN A 2 173.624 -16.082 7.308 1.00 0.00 C ATOM 20 C GLN A 2 172.768 -14.832 7.125 1.00 0.00 C ATOM 21 O GLN A 2 173.164 -13.737 7.528 1.00 0.00 O ATOM 22 CB GLN A 2 174.392 -16.381 6.020 1.00 0.00 C ATOM 23 CG GLN A 2 175.267 -17.621 6.109 1.00 0.00 C ATOM 24 CD GLN A 2 175.237 -18.449 4.839 1.00 0.00 C ATOM 25 OE1 GLN A 2 176.271 -18.679 4.211 1.00 0.00 O ATOM 26 NE2 GLN A 2 174.049 -18.905 4.454 1.00 0.00 N ATOM 0 H GLN A 2 172.732 -17.952 6.973 1.00 0.00 H new ATOM 0 HA GLN A 2 174.336 -15.898 8.112 1.00 0.00 H new ATOM 0 HB2 GLN A 2 173.681 -16.506 5.203 1.00 0.00 H new ATOM 0 HB3 GLN A 2 175.016 -15.523 5.771 1.00 0.00 H new ATOM 0 HG2 GLN A 2 176.294 -17.322 6.319 1.00 0.00 H new ATOM 0 HG3 GLN A 2 174.936 -18.235 6.947 1.00 0.00 H new ATOM 0 HE21 GLN A 2 173.218 -18.690 5.004 1.00 0.00 H new ATOM 0 HE22 GLN A 2 173.969 -19.469 3.608 1.00 0.00 H new ATOM 35 N LEU A 3 171.590 -15.003 6.523 1.00 0.00 N ATOM 36 CA LEU A 3 170.674 -13.887 6.296 1.00 0.00 C ATOM 37 C LEU A 3 170.287 -13.222 7.616 1.00 0.00 C ATOM 38 O LEU A 3 170.087 -12.008 7.673 1.00 0.00 O ATOM 39 CB LEU A 3 169.417 -14.364 5.566 1.00 0.00 C ATOM 40 CG LEU A 3 169.644 -14.860 4.136 1.00 0.00 C ATOM 41 CD1 LEU A 3 168.410 -15.590 3.625 1.00 0.00 C ATOM 42 CD2 LEU A 3 170.000 -13.696 3.220 1.00 0.00 C ATOM 0 H LEU A 3 171.249 -15.903 6.185 1.00 0.00 H new ATOM 0 HA LEU A 3 171.188 -13.153 5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 3 168.963 -15.168 6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 3 168.698 -13.545 5.540 1.00 0.00 H new ATOM 0 HG LEU A 3 170.479 -15.561 4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 3 168.588 -15.936 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 3 168.201 -16.445 4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 3 167.557 -14.912 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 3 170.158 -14.066 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 3 169.186 -12.972 3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 3 170.911 -13.217 3.578 1.00 0.00 H new ATOM 54 N LYS A 4 170.191 -14.022 8.678 1.00 0.00 N ATOM 55 CA LYS A 4 169.838 -13.504 9.997 1.00 0.00 C ATOM 56 C LYS A 4 171.001 -12.714 10.602 1.00 0.00 C ATOM 57 O LYS A 4 170.787 -11.726 11.306 1.00 0.00 O ATOM 58 CB LYS A 4 169.440 -14.646 10.938 1.00 0.00 C ATOM 59 CG LYS A 4 168.274 -15.482 10.435 1.00 0.00 C ATOM 60 CD LYS A 4 166.959 -14.725 10.533 1.00 0.00 C ATOM 61 CE LYS A 4 165.785 -15.587 10.091 1.00 0.00 C ATOM 62 NZ LYS A 4 165.460 -16.650 11.085 1.00 0.00 N ATOM 0 H LYS A 4 170.353 -15.029 8.650 1.00 0.00 H new ATOM 0 HA LYS A 4 168.987 -12.834 9.875 1.00 0.00 H new ATOM 0 HB2 LYS A 4 170.302 -15.296 11.089 1.00 0.00 H new ATOM 0 HB3 LYS A 4 169.182 -14.228 11.911 1.00 0.00 H new ATOM 0 HG2 LYS A 4 168.452 -15.770 9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 4 168.209 -16.403 11.015 1.00 0.00 H new ATOM 0 HD2 LYS A 4 166.803 -14.395 11.560 1.00 0.00 H new ATOM 0 HD3 LYS A 4 167.007 -13.829 9.915 1.00 0.00 H new ATOM 0 HE2 LYS A 4 164.910 -14.955 9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 4 166.017 -16.048 9.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 164.604 -17.157 10.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 166.254 -17.319 11.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 165.296 -16.216 12.016 1.00 0.00 H new ATOM 76 N CYS A 5 172.232 -13.156 10.323 1.00 0.00 N ATOM 77 CA CYS A 5 173.428 -12.488 10.840 1.00 0.00 C ATOM 78 C CYS A 5 173.622 -11.120 10.188 1.00 0.00 C ATOM 79 O CYS A 5 173.826 -10.120 10.879 1.00 0.00 O ATOM 80 CB CYS A 5 174.670 -13.353 10.610 1.00 0.00 C ATOM 81 SG CYS A 5 175.873 -13.286 11.959 1.00 0.00 S ATOM 0 H CYS A 5 172.425 -13.972 9.743 1.00 0.00 H new ATOM 0 HA CYS A 5 173.288 -12.343 11.911 1.00 0.00 H new ATOM 0 HB2 CYS A 5 174.358 -14.387 10.466 1.00 0.00 H new ATOM 0 HB3 CYS A 5 175.156 -13.035 9.687 1.00 0.00 H new ATOM 0 HG CYS A 5 176.910 -12.599 11.582 1.00 0.00 H new ATOM 87 N CYS A 6 173.558 -11.081 8.854 1.00 0.00 N ATOM 88 CA CYS A 6 173.726 -9.830 8.113 1.00 0.00 C ATOM 89 C CYS A 6 172.656 -8.812 8.510 1.00 0.00 C ATOM 90 O CYS A 6 172.931 -7.614 8.593 1.00 0.00 O ATOM 91 CB CYS A 6 173.686 -10.080 6.600 1.00 0.00 C ATOM 92 SG CYS A 6 172.077 -10.605 5.965 1.00 0.00 S ATOM 0 H CYS A 6 173.392 -11.899 8.268 1.00 0.00 H new ATOM 0 HA CYS A 6 174.703 -9.421 8.369 1.00 0.00 H new ATOM 0 HB2 CYS A 6 173.984 -9.166 6.086 1.00 0.00 H new ATOM 0 HB3 CYS A 6 174.426 -10.841 6.351 1.00 0.00 H new ATOM 0 HG CYS A 6 171.343 -11.037 6.947 1.00 0.00 H new ATOM 98 N SER A 7 171.436 -9.301 8.761 1.00 0.00 N ATOM 99 CA SER A 7 170.322 -8.438 9.156 1.00 0.00 C ATOM 100 C SER A 7 170.682 -7.593 10.378 1.00 0.00 C ATOM 101 O SER A 7 170.240 -6.450 10.497 1.00 0.00 O ATOM 102 CB SER A 7 169.075 -9.276 9.456 1.00 0.00 C ATOM 103 OG SER A 7 167.894 -8.517 9.263 1.00 0.00 O ATOM 0 H SER A 7 171.197 -10.291 8.697 1.00 0.00 H new ATOM 0 HA SER A 7 170.112 -7.767 8.323 1.00 0.00 H new ATOM 0 HB2 SER A 7 169.058 -10.153 8.809 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.115 -9.639 10.483 1.00 0.00 H new ATOM 0 HG SER A 7 167.112 -9.074 9.459 1.00 0.00 H new ATOM 109 N GLY A 8 171.490 -8.157 11.280 1.00 0.00 N ATOM 110 CA GLY A 8 171.896 -7.432 12.476 1.00 0.00 C ATOM 111 C GLY A 8 172.634 -6.146 12.151 1.00 0.00 C ATOM 112 O GLY A 8 172.330 -5.095 12.715 1.00 0.00 O ATOM 0 H GLY A 8 171.869 -9.101 11.203 1.00 0.00 H new ATOM 0 HA2 GLY A 8 171.015 -7.201 13.074 1.00 0.00 H new ATOM 0 HA3 GLY A 8 172.536 -8.071 13.085 1.00 0.00 H new ATOM 116 N ILE A 9 173.595 -6.225 11.230 1.00 0.00 N ATOM 117 CA ILE A 9 174.363 -5.051 10.824 1.00 0.00 C ATOM 118 C ILE A 9 173.453 -4.032 10.145 1.00 0.00 C ATOM 119 O ILE A 9 173.528 -2.834 10.422 1.00 0.00 O ATOM 120 CB ILE A 9 175.515 -5.421 9.863 1.00 0.00 C ATOM 121 CG1 ILE A 9 176.354 -6.566 10.443 1.00 0.00 C ATOM 122 CG2 ILE A 9 176.388 -4.202 9.589 1.00 0.00 C ATOM 123 CD1 ILE A 9 176.756 -7.602 9.415 1.00 0.00 C ATOM 0 H ILE A 9 173.858 -7.087 10.753 1.00 0.00 H new ATOM 0 HA ILE A 9 174.795 -4.621 11.728 1.00 0.00 H new ATOM 0 HB ILE A 9 175.085 -5.757 8.920 1.00 0.00 H new ATOM 0 HG12 ILE A 9 177.253 -6.152 10.900 1.00 0.00 H new ATOM 0 HG13 ILE A 9 175.789 -7.054 11.237 1.00 0.00 H new ATOM 0 HG21 ILE A 9 177.195 -4.478 8.911 1.00 0.00 H new ATOM 0 HG22 ILE A 9 175.784 -3.417 9.134 1.00 0.00 H new ATOM 0 HG23 ILE A 9 176.810 -3.838 10.526 1.00 0.00 H new ATOM 0 HD11 ILE A 9 177.347 -8.381 9.896 1.00 0.00 H new ATOM 0 HD12 ILE A 9 175.862 -8.044 8.975 1.00 0.00 H new ATOM 0 HD13 ILE A 9 177.349 -7.128 8.633 1.00 0.00 H new ATOM 135 N LEU A 10 172.580 -4.524 9.268 1.00 0.00 N ATOM 136 CA LEU A 10 171.634 -3.669 8.559 1.00 0.00 C ATOM 137 C LEU A 10 170.677 -2.997 9.546 1.00 0.00 C ATOM 138 O LEU A 10 170.277 -1.848 9.353 1.00 0.00 O ATOM 139 CB LEU A 10 170.850 -4.482 7.522 1.00 0.00 C ATOM 140 CG LEU A 10 171.458 -4.496 6.114 1.00 0.00 C ATOM 141 CD1 LEU A 10 172.769 -5.274 6.101 1.00 0.00 C ATOM 142 CD2 LEU A 10 170.475 -5.089 5.113 1.00 0.00 C ATOM 0 H LEU A 10 172.509 -5.514 9.032 1.00 0.00 H new ATOM 0 HA LEU A 10 172.194 -2.893 8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 10 170.767 -5.510 7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 10 169.837 -4.083 7.460 1.00 0.00 H new ATOM 0 HG LEU A 10 171.668 -3.467 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 10 173.184 -5.272 5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 10 173.477 -4.806 6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 10 172.586 -6.301 6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 10 170.924 -5.091 4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 10 170.232 -6.111 5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 10 169.564 -4.490 5.099 1.00 0.00 H new ATOM 154 N LYS A 11 170.318 -3.727 10.605 1.00 0.00 N ATOM 155 CA LYS A 11 169.409 -3.217 11.633 1.00 0.00 C ATOM 156 C LYS A 11 169.949 -1.935 12.277 1.00 0.00 C ATOM 157 O LYS A 11 169.171 -1.100 12.736 1.00 0.00 O ATOM 158 CB LYS A 11 169.177 -4.287 12.707 1.00 0.00 C ATOM 159 CG LYS A 11 168.186 -3.879 13.790 1.00 0.00 C ATOM 160 CD LYS A 11 168.630 -4.366 15.162 1.00 0.00 C ATOM 161 CE LYS A 11 168.279 -3.367 16.257 1.00 0.00 C ATOM 162 NZ LYS A 11 167.213 -3.883 17.162 1.00 0.00 N ATOM 0 H LYS A 11 170.645 -4.678 10.773 1.00 0.00 H new ATOM 0 HA LYS A 11 168.462 -2.975 11.151 1.00 0.00 H new ATOM 0 HB2 LYS A 11 168.818 -5.197 12.226 1.00 0.00 H new ATOM 0 HB3 LYS A 11 170.131 -4.529 13.175 1.00 0.00 H new ATOM 0 HG2 LYS A 11 168.085 -2.794 13.803 1.00 0.00 H new ATOM 0 HG3 LYS A 11 167.203 -4.288 13.558 1.00 0.00 H new ATOM 0 HD2 LYS A 11 168.157 -5.324 15.378 1.00 0.00 H new ATOM 0 HD3 LYS A 11 169.707 -4.536 15.157 1.00 0.00 H new ATOM 0 HE2 LYS A 11 169.171 -3.140 16.840 1.00 0.00 H new ATOM 0 HE3 LYS A 11 167.949 -2.433 15.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 167.004 -3.173 17.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 166.353 -4.076 16.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 167.537 -4.761 17.615 1.00 0.00 H new ATOM 176 N GLU A 12 171.276 -1.776 12.302 1.00 0.00 N ATOM 177 CA GLU A 12 171.895 -0.580 12.884 1.00 0.00 C ATOM 178 C GLU A 12 171.407 0.683 12.175 1.00 0.00 C ATOM 179 O GLU A 12 171.200 1.717 12.811 1.00 0.00 O ATOM 180 CB GLU A 12 173.422 -0.668 12.807 1.00 0.00 C ATOM 181 CG GLU A 12 174.028 -1.669 13.782 1.00 0.00 C ATOM 182 CD GLU A 12 175.536 -1.541 13.902 1.00 0.00 C ATOM 183 OE1 GLU A 12 176.215 -1.462 12.856 1.00 0.00 O ATOM 184 OE2 GLU A 12 176.040 -1.525 15.046 1.00 0.00 O ATOM 0 H GLU A 12 171.939 -2.455 11.929 1.00 0.00 H new ATOM 0 HA GLU A 12 171.601 -0.527 13.932 1.00 0.00 H new ATOM 0 HB2 GLU A 12 173.710 -0.942 11.792 1.00 0.00 H new ATOM 0 HB3 GLU A 12 173.844 0.318 13.003 1.00 0.00 H new ATOM 0 HG2 GLU A 12 173.578 -1.529 14.765 1.00 0.00 H new ATOM 0 HG3 GLU A 12 173.779 -2.680 13.458 1.00 0.00 H new ATOM 191 N MET A 13 171.210 0.589 10.858 1.00 0.00 N ATOM 192 CA MET A 13 170.725 1.724 10.076 1.00 0.00 C ATOM 193 C MET A 13 169.359 2.180 10.587 1.00 0.00 C ATOM 194 O MET A 13 169.073 3.376 10.633 1.00 0.00 O ATOM 195 CB MET A 13 170.632 1.356 8.593 1.00 0.00 C ATOM 196 CG MET A 13 171.841 1.789 7.780 1.00 0.00 C ATOM 197 SD MET A 13 173.277 0.733 8.055 1.00 0.00 S ATOM 198 CE MET A 13 173.224 -0.302 6.595 1.00 0.00 C ATOM 0 H MET A 13 171.378 -0.258 10.315 1.00 0.00 H new ATOM 0 HA MET A 13 171.435 2.543 10.189 1.00 0.00 H new ATOM 0 HB2 MET A 13 170.512 0.276 8.502 1.00 0.00 H new ATOM 0 HB3 MET A 13 169.738 1.813 8.170 1.00 0.00 H new ATOM 0 HG2 MET A 13 171.584 1.778 6.721 1.00 0.00 H new ATOM 0 HG3 MET A 13 172.097 2.817 8.036 1.00 0.00 H new ATOM 0 HE1 MET A 13 174.052 -1.010 6.621 1.00 0.00 H new ATOM 0 HE2 MET A 13 172.281 -0.848 6.570 1.00 0.00 H new ATOM 0 HE3 MET A 13 173.306 0.321 5.704 1.00 0.00 H new ATOM 208 N PHE A 14 168.524 1.215 10.981 1.00 0.00 N ATOM 209 CA PHE A 14 167.191 1.510 11.503 1.00 0.00 C ATOM 210 C PHE A 14 167.167 1.489 13.039 1.00 0.00 C ATOM 211 O PHE A 14 166.118 1.706 13.650 1.00 0.00 O ATOM 212 CB PHE A 14 166.177 0.502 10.959 1.00 0.00 C ATOM 213 CG PHE A 14 165.193 1.100 9.995 1.00 0.00 C ATOM 214 CD1 PHE A 14 165.467 1.132 8.638 1.00 0.00 C ATOM 215 CD2 PHE A 14 163.994 1.628 10.446 1.00 0.00 C ATOM 216 CE1 PHE A 14 164.565 1.680 7.748 1.00 0.00 C ATOM 217 CE2 PHE A 14 163.087 2.177 9.560 1.00 0.00 C ATOM 218 CZ PHE A 14 163.373 2.203 8.209 1.00 0.00 C ATOM 0 H PHE A 14 168.750 0.221 10.947 1.00 0.00 H new ATOM 0 HA PHE A 14 166.923 2.514 11.173 1.00 0.00 H new ATOM 0 HB2 PHE A 14 166.712 -0.308 10.463 1.00 0.00 H new ATOM 0 HB3 PHE A 14 165.633 0.060 11.794 1.00 0.00 H new ATOM 0 HD1 PHE A 14 166.397 0.723 8.272 1.00 0.00 H new ATOM 0 HD2 PHE A 14 163.766 1.610 11.501 1.00 0.00 H new ATOM 0 HE1 PHE A 14 164.791 1.700 6.692 1.00 0.00 H new ATOM 0 HE2 PHE A 14 162.156 2.585 9.923 1.00 0.00 H new ATOM 0 HZ PHE A 14 162.666 2.632 7.514 1.00 0.00 H new ATOM 228 N ALA A 15 168.322 1.230 13.661 1.00 0.00 N ATOM 229 CA ALA A 15 168.421 1.185 15.121 1.00 0.00 C ATOM 230 C ALA A 15 168.761 2.556 15.712 1.00 0.00 C ATOM 231 O ALA A 15 169.086 2.664 16.895 1.00 0.00 O ATOM 232 CB ALA A 15 169.464 0.160 15.544 1.00 0.00 C ATOM 0 H ALA A 15 169.200 1.049 13.175 1.00 0.00 H new ATOM 0 HA ALA A 15 167.445 0.891 15.508 1.00 0.00 H new ATOM 0 HB1 ALA A 15 169.529 0.135 16.632 1.00 0.00 H new ATOM 0 HB2 ALA A 15 169.177 -0.825 15.175 1.00 0.00 H new ATOM 0 HB3 ALA A 15 170.434 0.435 15.129 1.00 0.00 H new ATOM 238 N LYS A 16 168.695 3.597 14.878 1.00 0.00 N ATOM 239 CA LYS A 16 169.001 4.965 15.301 1.00 0.00 C ATOM 240 C LYS A 16 170.511 5.176 15.460 1.00 0.00 C ATOM 241 O LYS A 16 170.946 6.094 16.157 1.00 0.00 O ATOM 242 CB LYS A 16 168.279 5.308 16.613 1.00 0.00 C ATOM 243 CG LYS A 16 167.709 6.721 16.646 1.00 0.00 C ATOM 244 CD LYS A 16 166.370 6.776 17.369 1.00 0.00 C ATOM 245 CE LYS A 16 165.299 5.977 16.640 1.00 0.00 C ATOM 246 NZ LYS A 16 163.935 6.530 16.872 1.00 0.00 N ATOM 0 H LYS A 16 168.430 3.516 13.896 1.00 0.00 H new ATOM 0 HA LYS A 16 168.643 5.635 14.519 1.00 0.00 H new ATOM 0 HB2 LYS A 16 167.469 4.595 16.769 1.00 0.00 H new ATOM 0 HB3 LYS A 16 168.975 5.187 17.443 1.00 0.00 H new ATOM 0 HG2 LYS A 16 168.416 7.386 17.141 1.00 0.00 H new ATOM 0 HG3 LYS A 16 167.587 7.087 15.627 1.00 0.00 H new ATOM 0 HD2 LYS A 16 166.487 6.388 18.381 1.00 0.00 H new ATOM 0 HD3 LYS A 16 166.049 7.814 17.461 1.00 0.00 H new ATOM 0 HE2 LYS A 16 165.513 5.975 15.571 1.00 0.00 H new ATOM 0 HE3 LYS A 16 165.331 4.940 16.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 163.236 5.957 16.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 163.720 6.508 17.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 163.896 7.512 16.531 1.00 0.00 H new ATOM 260 N LYS A 17 171.305 4.329 14.803 1.00 0.00 N ATOM 261 CA LYS A 17 172.762 4.433 14.870 1.00 0.00 C ATOM 262 C LYS A 17 173.343 4.876 13.527 1.00 0.00 C ATOM 263 O LYS A 17 174.328 5.615 13.483 1.00 0.00 O ATOM 264 CB LYS A 17 173.374 3.095 15.291 1.00 0.00 C ATOM 265 CG LYS A 17 173.052 2.703 16.725 1.00 0.00 C ATOM 266 CD LYS A 17 173.686 1.372 17.097 1.00 0.00 C ATOM 267 CE LYS A 17 175.119 1.550 17.582 1.00 0.00 C ATOM 268 NZ LYS A 17 176.072 0.655 16.864 1.00 0.00 N ATOM 0 H LYS A 17 170.964 3.565 14.220 1.00 0.00 H new ATOM 0 HA LYS A 17 173.011 5.187 15.617 1.00 0.00 H new ATOM 0 HB2 LYS A 17 173.016 2.314 14.620 1.00 0.00 H new ATOM 0 HB3 LYS A 17 174.456 3.146 15.171 1.00 0.00 H new ATOM 0 HG2 LYS A 17 173.408 3.478 17.403 1.00 0.00 H new ATOM 0 HG3 LYS A 17 171.971 2.640 16.852 1.00 0.00 H new ATOM 0 HD2 LYS A 17 173.094 0.892 17.876 1.00 0.00 H new ATOM 0 HD3 LYS A 17 173.674 0.708 16.233 1.00 0.00 H new ATOM 0 HE2 LYS A 17 175.422 2.588 17.442 1.00 0.00 H new ATOM 0 HE3 LYS A 17 175.167 1.346 18.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 176.769 0.279 17.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 175.549 -0.133 16.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 176.563 1.194 16.123 1.00 0.00 H new ATOM 282 N HIS A 18 172.724 4.426 12.436 1.00 0.00 N ATOM 283 CA HIS A 18 173.173 4.779 11.095 1.00 0.00 C ATOM 284 C HIS A 18 172.042 5.409 10.278 1.00 0.00 C ATOM 285 O HIS A 18 172.118 5.474 9.050 1.00 0.00 O ATOM 286 CB HIS A 18 173.708 3.538 10.382 1.00 0.00 C ATOM 287 CG HIS A 18 175.190 3.385 10.493 1.00 0.00 C ATOM 288 ND1 HIS A 18 176.082 4.272 9.930 1.00 0.00 N ATOM 289 CD2 HIS A 18 175.938 2.447 11.119 1.00 0.00 C ATOM 290 CE1 HIS A 18 177.315 3.885 10.203 1.00 0.00 C ATOM 291 NE2 HIS A 18 177.255 2.781 10.926 1.00 0.00 N ATOM 0 H HIS A 18 171.908 3.815 12.458 1.00 0.00 H new ATOM 0 HA HIS A 18 173.971 5.516 11.187 1.00 0.00 H new ATOM 0 HB2 HIS A 18 173.226 2.653 10.798 1.00 0.00 H new ATOM 0 HB3 HIS A 18 173.433 3.586 9.328 1.00 0.00 H new ATOM 0 HD1 HIS A 18 175.830 5.098 9.387 1.00 0.00 H new ATOM 0 HD2 HIS A 18 175.567 1.594 11.668 1.00 0.00 H new ATOM 0 HE1 HIS A 18 178.219 4.386 9.889 1.00 0.00 H new ATOM 300 N ALA A 19 170.997 5.880 10.963 1.00 0.00 N ATOM 301 CA ALA A 19 169.861 6.509 10.295 1.00 0.00 C ATOM 302 C ALA A 19 170.204 7.928 9.856 1.00 0.00 C ATOM 303 O ALA A 19 169.782 8.374 8.790 1.00 0.00 O ATOM 304 CB ALA A 19 168.644 6.519 11.209 1.00 0.00 C ATOM 0 H ALA A 19 170.916 5.837 11.979 1.00 0.00 H new ATOM 0 HA ALA A 19 169.626 5.924 9.406 1.00 0.00 H new ATOM 0 HB1 ALA A 19 167.807 6.991 10.695 1.00 0.00 H new ATOM 0 HB2 ALA A 19 168.378 5.495 11.471 1.00 0.00 H new ATOM 0 HB3 ALA A 19 168.875 7.078 12.116 1.00 0.00 H new ATOM 310 N ALA A 20 170.978 8.630 10.683 1.00 0.00 N ATOM 311 CA ALA A 20 171.386 10.000 10.377 1.00 0.00 C ATOM 312 C ALA A 20 172.378 10.030 9.217 1.00 0.00 C ATOM 313 O ALA A 20 172.329 10.923 8.370 1.00 0.00 O ATOM 314 CB ALA A 20 171.987 10.667 11.605 1.00 0.00 C ATOM 0 H ALA A 20 171.335 8.273 11.569 1.00 0.00 H new ATOM 0 HA ALA A 20 170.497 10.556 10.079 1.00 0.00 H new ATOM 0 HB1 ALA A 20 172.284 11.686 11.357 1.00 0.00 H new ATOM 0 HB2 ALA A 20 171.247 10.690 12.405 1.00 0.00 H new ATOM 0 HB3 ALA A 20 172.860 10.104 11.934 1.00 0.00 H new ATOM 320 N TYR A 21 173.274 9.047 9.183 1.00 0.00 N ATOM 321 CA TYR A 21 174.275 8.957 8.125 1.00 0.00 C ATOM 322 C TYR A 21 173.668 8.409 6.833 1.00 0.00 C ATOM 323 O TYR A 21 174.089 8.779 5.737 1.00 0.00 O ATOM 324 CB TYR A 21 175.442 8.076 8.573 1.00 0.00 C ATOM 325 CG TYR A 21 176.506 8.828 9.343 1.00 0.00 C ATOM 326 CD1 TYR A 21 176.188 9.540 10.494 1.00 0.00 C ATOM 327 CD2 TYR A 21 177.827 8.830 8.915 1.00 0.00 C ATOM 328 CE1 TYR A 21 177.157 10.231 11.196 1.00 0.00 C ATOM 329 CE2 TYR A 21 178.801 9.517 9.612 1.00 0.00 C ATOM 330 CZ TYR A 21 178.461 10.217 10.751 1.00 0.00 C ATOM 331 OH TYR A 21 179.431 10.903 11.447 1.00 0.00 O ATOM 0 H TYR A 21 173.327 8.301 9.877 1.00 0.00 H new ATOM 0 HA TYR A 21 174.644 9.963 7.926 1.00 0.00 H new ATOM 0 HB2 TYR A 21 175.058 7.267 9.195 1.00 0.00 H new ATOM 0 HB3 TYR A 21 175.897 7.616 7.696 1.00 0.00 H new ATOM 0 HD1 TYR A 21 175.167 9.553 10.845 1.00 0.00 H new ATOM 0 HD2 TYR A 21 178.097 8.285 8.022 1.00 0.00 H new ATOM 0 HE1 TYR A 21 176.894 10.779 12.089 1.00 0.00 H new ATOM 0 HE2 TYR A 21 179.824 9.506 9.267 1.00 0.00 H new ATOM 0 HH TYR A 21 180.296 10.790 11.000 1.00 0.00 H new ATOM 341 N ALA A 22 172.676 7.527 6.967 1.00 0.00 N ATOM 342 CA ALA A 22 172.013 6.932 5.808 1.00 0.00 C ATOM 343 C ALA A 22 170.744 7.698 5.411 1.00 0.00 C ATOM 344 O ALA A 22 169.989 7.245 4.550 1.00 0.00 O ATOM 345 CB ALA A 22 171.678 5.474 6.092 1.00 0.00 C ATOM 0 H ALA A 22 172.315 7.210 7.867 1.00 0.00 H new ATOM 0 HA ALA A 22 172.705 6.992 4.968 1.00 0.00 H new ATOM 0 HB1 ALA A 22 171.184 5.038 5.223 1.00 0.00 H new ATOM 0 HB2 ALA A 22 172.595 4.924 6.302 1.00 0.00 H new ATOM 0 HB3 ALA A 22 171.014 5.415 6.954 1.00 0.00 H new ATOM 351 N TRP A 23 170.510 8.856 6.035 1.00 0.00 N ATOM 352 CA TRP A 23 169.329 9.665 5.733 1.00 0.00 C ATOM 353 C TRP A 23 169.416 10.297 4.337 1.00 0.00 C ATOM 354 O TRP A 23 168.481 10.174 3.544 1.00 0.00 O ATOM 355 CB TRP A 23 169.137 10.755 6.794 1.00 0.00 C ATOM 356 CG TRP A 23 167.701 11.131 7.019 1.00 0.00 C ATOM 357 CD1 TRP A 23 166.686 11.091 6.104 1.00 0.00 C ATOM 358 CD2 TRP A 23 167.120 11.607 8.240 1.00 0.00 C ATOM 359 NE1 TRP A 23 165.513 11.514 6.681 1.00 0.00 N ATOM 360 CE2 TRP A 23 165.754 11.836 7.991 1.00 0.00 C ATOM 361 CE3 TRP A 23 167.623 11.860 9.519 1.00 0.00 C ATOM 362 CZ2 TRP A 23 164.887 12.309 8.974 1.00 0.00 C ATOM 363 CZ3 TRP A 23 166.762 12.328 10.493 1.00 0.00 C ATOM 364 CH2 TRP A 23 165.407 12.548 10.216 1.00 0.00 C ATOM 0 H TRP A 23 171.121 9.252 6.749 1.00 0.00 H new ATOM 0 HA TRP A 23 168.466 8.999 5.746 1.00 0.00 H new ATOM 0 HB2 TRP A 23 169.566 10.413 7.736 1.00 0.00 H new ATOM 0 HB3 TRP A 23 169.693 11.643 6.495 1.00 0.00 H new ATOM 0 HD1 TRP A 23 166.791 10.773 5.077 1.00 0.00 H new ATOM 0 HE1 TRP A 23 164.610 11.578 6.211 1.00 0.00 H new ATOM 0 HE3 TRP A 23 168.666 11.693 9.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 163.842 12.481 8.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 167.140 12.528 11.485 1.00 0.00 H new ATOM 0 HH2 TRP A 23 164.760 12.914 10.999 1.00 0.00 H new ATOM 375 N PRO A 24 170.532 10.991 4.014 1.00 0.00 N ATOM 376 CA PRO A 24 170.703 11.639 2.706 1.00 0.00 C ATOM 377 C PRO A 24 171.043 10.658 1.580 1.00 0.00 C ATOM 378 O PRO A 24 171.250 11.071 0.437 1.00 0.00 O ATOM 379 CB PRO A 24 171.863 12.601 2.949 1.00 0.00 C ATOM 380 CG PRO A 24 172.677 11.949 4.013 1.00 0.00 C ATOM 381 CD PRO A 24 171.704 11.207 4.891 1.00 0.00 C ATOM 0 HA PRO A 24 169.783 12.119 2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 24 172.447 12.755 2.042 1.00 0.00 H new ATOM 0 HB3 PRO A 24 171.506 13.580 3.268 1.00 0.00 H new ATOM 0 HG2 PRO A 24 173.409 11.267 3.580 1.00 0.00 H new ATOM 0 HG3 PRO A 24 173.233 12.690 4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 24 172.121 10.263 5.241 1.00 0.00 H new ATOM 0 HD3 PRO A 24 171.440 11.787 5.775 1.00 0.00 H new ATOM 389 N PHE A 25 171.098 9.364 1.900 1.00 0.00 N ATOM 390 CA PHE A 25 171.410 8.342 0.905 1.00 0.00 C ATOM 391 C PHE A 25 170.740 7.012 1.256 1.00 0.00 C ATOM 392 O PHE A 25 171.407 5.987 1.415 1.00 0.00 O ATOM 393 CB PHE A 25 172.928 8.165 0.783 1.00 0.00 C ATOM 394 CG PHE A 25 173.389 7.907 -0.624 1.00 0.00 C ATOM 395 CD1 PHE A 25 173.639 8.961 -1.489 1.00 0.00 C ATOM 396 CD2 PHE A 25 173.570 6.612 -1.083 1.00 0.00 C ATOM 397 CE1 PHE A 25 174.059 8.728 -2.785 1.00 0.00 C ATOM 398 CE2 PHE A 25 173.990 6.373 -2.377 1.00 0.00 C ATOM 399 CZ PHE A 25 174.235 7.432 -3.229 1.00 0.00 C ATOM 0 H PHE A 25 170.931 9.002 2.839 1.00 0.00 H new ATOM 0 HA PHE A 25 171.018 8.672 -0.057 1.00 0.00 H new ATOM 0 HB2 PHE A 25 173.422 9.060 1.161 1.00 0.00 H new ATOM 0 HB3 PHE A 25 173.242 7.336 1.418 1.00 0.00 H new ATOM 0 HD1 PHE A 25 173.504 9.976 -1.146 1.00 0.00 H new ATOM 0 HD2 PHE A 25 173.380 5.780 -0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 25 174.249 9.558 -3.449 1.00 0.00 H new ATOM 0 HE2 PHE A 25 174.127 5.359 -2.722 1.00 0.00 H new ATOM 0 HZ PHE A 25 174.564 7.247 -4.241 1.00 0.00 H new ATOM 409 N TYR A 26 169.412 7.038 1.369 1.00 0.00 N ATOM 410 CA TYR A 26 168.641 5.840 1.694 1.00 0.00 C ATOM 411 C TYR A 26 167.784 5.411 0.504 1.00 0.00 C ATOM 412 O TYR A 26 167.861 4.267 0.054 1.00 0.00 O ATOM 413 CB TYR A 26 167.751 6.095 2.917 1.00 0.00 C ATOM 414 CG TYR A 26 167.796 4.993 3.956 1.00 0.00 C ATOM 415 CD1 TYR A 26 168.994 4.378 4.301 1.00 0.00 C ATOM 416 CD2 TYR A 26 166.637 4.574 4.597 1.00 0.00 C ATOM 417 CE1 TYR A 26 169.034 3.376 5.251 1.00 0.00 C ATOM 418 CE2 TYR A 26 166.670 3.574 5.549 1.00 0.00 C ATOM 419 CZ TYR A 26 167.870 2.979 5.873 1.00 0.00 C ATOM 420 OH TYR A 26 167.905 1.983 6.821 1.00 0.00 O ATOM 0 H TYR A 26 168.848 7.878 1.240 1.00 0.00 H new ATOM 0 HA TYR A 26 169.340 5.036 1.926 1.00 0.00 H new ATOM 0 HB2 TYR A 26 168.054 7.032 3.384 1.00 0.00 H new ATOM 0 HB3 TYR A 26 166.721 6.223 2.583 1.00 0.00 H new ATOM 0 HD1 TYR A 26 169.909 4.689 3.818 1.00 0.00 H new ATOM 0 HD2 TYR A 26 165.694 5.038 4.347 1.00 0.00 H new ATOM 0 HE1 TYR A 26 169.973 2.906 5.505 1.00 0.00 H new ATOM 0 HE2 TYR A 26 165.759 3.260 6.037 1.00 0.00 H new ATOM 0 HH TYR A 26 167.028 1.910 7.251 1.00 0.00 H new ATOM 430 N LYS A 27 166.971 6.341 0.000 1.00 0.00 N ATOM 431 CA LYS A 27 166.095 6.068 -1.140 1.00 0.00 C ATOM 432 C LYS A 27 166.898 5.949 -2.440 1.00 0.00 C ATOM 433 O LYS A 27 167.981 6.527 -2.563 1.00 0.00 O ATOM 434 CB LYS A 27 165.037 7.168 -1.272 1.00 0.00 C ATOM 435 CG LYS A 27 165.612 8.541 -1.592 1.00 0.00 C ATOM 436 CD LYS A 27 164.701 9.653 -1.098 1.00 0.00 C ATOM 437 CE LYS A 27 165.163 10.201 0.245 1.00 0.00 C ATOM 438 NZ LYS A 27 164.297 11.316 0.721 1.00 0.00 N ATOM 0 H LYS A 27 166.901 7.291 0.364 1.00 0.00 H new ATOM 0 HA LYS A 27 165.597 5.115 -0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 27 164.332 6.889 -2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 27 164.472 7.229 -0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 27 166.595 8.642 -1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 27 165.754 8.636 -2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 27 164.678 10.459 -1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 27 163.682 9.276 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 27 165.161 9.399 0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 27 166.191 10.552 0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 164.647 11.660 1.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 164.319 12.092 0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 163.320 10.975 0.828 1.00 0.00 H new ATOM 452 N PRO A 28 166.375 5.189 -3.426 1.00 0.00 N ATOM 453 CA PRO A 28 167.046 4.987 -4.722 1.00 0.00 C ATOM 454 C PRO A 28 167.285 6.297 -5.474 1.00 0.00 C ATOM 455 O PRO A 28 166.935 7.377 -4.991 1.00 0.00 O ATOM 456 CB PRO A 28 166.069 4.096 -5.501 1.00 0.00 C ATOM 457 CG PRO A 28 165.214 3.456 -4.464 1.00 0.00 C ATOM 458 CD PRO A 28 165.093 4.462 -3.356 1.00 0.00 C ATOM 0 HA PRO A 28 168.036 4.550 -4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 28 165.470 4.683 -6.198 1.00 0.00 H new ATOM 0 HB3 PRO A 28 166.601 3.348 -6.089 1.00 0.00 H new ATOM 0 HG2 PRO A 28 164.235 3.200 -4.868 1.00 0.00 H new ATOM 0 HG3 PRO A 28 165.663 2.530 -4.104 1.00 0.00 H new ATOM 0 HD2 PRO A 28 164.243 5.128 -3.506 1.00 0.00 H new ATOM 0 HD3 PRO A 28 164.954 3.981 -2.388 1.00 0.00 H new ATOM 466 N VAL A 29 167.882 6.190 -6.663 1.00 0.00 N ATOM 467 CA VAL A 29 168.170 7.359 -7.489 1.00 0.00 C ATOM 468 C VAL A 29 167.239 7.420 -8.703 1.00 0.00 C ATOM 469 O VAL A 29 167.650 7.147 -9.834 1.00 0.00 O ATOM 470 CB VAL A 29 169.643 7.375 -7.959 1.00 0.00 C ATOM 471 CG1 VAL A 29 170.571 7.680 -6.792 1.00 0.00 C ATOM 472 CG2 VAL A 29 170.020 6.052 -8.617 1.00 0.00 C ATOM 0 H VAL A 29 168.175 5.303 -7.074 1.00 0.00 H new ATOM 0 HA VAL A 29 167.998 8.238 -6.867 1.00 0.00 H new ATOM 0 HB VAL A 29 169.754 8.164 -8.703 1.00 0.00 H new ATOM 0 HG11 VAL A 29 171.604 7.687 -7.141 1.00 0.00 H new ATOM 0 HG12 VAL A 29 170.322 8.656 -6.374 1.00 0.00 H new ATOM 0 HG13 VAL A 29 170.453 6.916 -6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 29 171.061 6.089 -8.939 1.00 0.00 H new ATOM 0 HG22 VAL A 29 169.890 5.240 -7.902 1.00 0.00 H new ATOM 0 HG23 VAL A 29 169.379 5.880 -9.482 1.00 0.00 H new ATOM 482 N ASP A 30 165.979 7.783 -8.456 1.00 0.00 N ATOM 483 CA ASP A 30 164.978 7.886 -9.518 1.00 0.00 C ATOM 484 C ASP A 30 165.382 8.940 -10.546 1.00 0.00 C ATOM 485 O ASP A 30 165.236 10.139 -10.309 1.00 0.00 O ATOM 486 CB ASP A 30 163.606 8.236 -8.929 1.00 0.00 C ATOM 487 CG ASP A 30 162.986 7.087 -8.156 1.00 0.00 C ATOM 488 OD1 ASP A 30 163.003 5.946 -8.666 1.00 0.00 O ATOM 489 OD2 ASP A 30 162.478 7.329 -7.041 1.00 0.00 O ATOM 0 H ASP A 30 165.627 8.011 -7.526 1.00 0.00 H new ATOM 0 HA ASP A 30 164.916 6.918 -10.016 1.00 0.00 H new ATOM 0 HB2 ASP A 30 163.708 9.098 -8.270 1.00 0.00 H new ATOM 0 HB3 ASP A 30 162.934 8.530 -9.735 1.00 0.00 H new ATOM 494 N VAL A 31 165.896 8.484 -11.687 1.00 0.00 N ATOM 495 CA VAL A 31 166.326 9.388 -12.750 1.00 0.00 C ATOM 496 C VAL A 31 165.160 10.229 -13.283 1.00 0.00 C ATOM 497 O VAL A 31 165.341 11.395 -13.632 1.00 0.00 O ATOM 498 CB VAL A 31 166.990 8.615 -13.913 1.00 0.00 C ATOM 499 CG1 VAL A 31 165.998 7.682 -14.593 1.00 0.00 C ATOM 500 CG2 VAL A 31 167.607 9.576 -14.919 1.00 0.00 C ATOM 0 H VAL A 31 166.024 7.494 -11.898 1.00 0.00 H new ATOM 0 HA VAL A 31 167.063 10.061 -12.312 1.00 0.00 H new ATOM 0 HB VAL A 31 167.788 8.003 -13.493 1.00 0.00 H new ATOM 0 HG11 VAL A 31 166.495 7.153 -15.406 1.00 0.00 H new ATOM 0 HG12 VAL A 31 165.621 6.961 -13.868 1.00 0.00 H new ATOM 0 HG13 VAL A 31 165.167 8.263 -14.993 1.00 0.00 H new ATOM 0 HG21 VAL A 31 168.068 9.009 -15.728 1.00 0.00 H new ATOM 0 HG22 VAL A 31 166.831 10.224 -15.326 1.00 0.00 H new ATOM 0 HG23 VAL A 31 168.364 10.184 -14.424 1.00 0.00 H new ATOM 510 N GLU A 32 163.965 9.634 -13.339 1.00 0.00 N ATOM 511 CA GLU A 32 162.777 10.338 -13.824 1.00 0.00 C ATOM 512 C GLU A 32 162.303 11.390 -12.816 1.00 0.00 C ATOM 513 O GLU A 32 162.013 12.528 -13.187 1.00 0.00 O ATOM 514 CB GLU A 32 161.643 9.347 -14.107 1.00 0.00 C ATOM 515 CG GLU A 32 160.683 9.811 -15.192 1.00 0.00 C ATOM 516 CD GLU A 32 159.415 8.980 -15.244 1.00 0.00 C ATOM 517 OE1 GLU A 32 159.429 7.916 -15.897 1.00 0.00 O ATOM 518 OE2 GLU A 32 158.410 9.393 -14.628 1.00 0.00 O ATOM 0 H GLU A 32 163.796 8.669 -13.055 1.00 0.00 H new ATOM 0 HA GLU A 32 163.050 10.845 -14.749 1.00 0.00 H new ATOM 0 HB2 GLU A 32 162.074 8.390 -14.400 1.00 0.00 H new ATOM 0 HB3 GLU A 32 161.083 9.176 -13.187 1.00 0.00 H new ATOM 0 HG2 GLU A 32 160.422 10.855 -15.019 1.00 0.00 H new ATOM 0 HG3 GLU A 32 161.184 9.764 -16.159 1.00 0.00 H new ATOM 525 N ALA A 33 162.213 10.995 -11.544 1.00 0.00 N ATOM 526 CA ALA A 33 161.759 11.897 -10.483 1.00 0.00 C ATOM 527 C ALA A 33 162.808 12.954 -10.142 1.00 0.00 C ATOM 528 O ALA A 33 162.486 14.135 -10.014 1.00 0.00 O ATOM 529 CB ALA A 33 161.386 11.105 -9.235 1.00 0.00 C ATOM 0 H ALA A 33 162.449 10.056 -11.224 1.00 0.00 H new ATOM 0 HA ALA A 33 160.877 12.417 -10.856 1.00 0.00 H new ATOM 0 HB1 ALA A 33 161.051 11.790 -8.456 1.00 0.00 H new ATOM 0 HB2 ALA A 33 160.584 10.406 -9.474 1.00 0.00 H new ATOM 0 HB3 ALA A 33 162.256 10.552 -8.882 1.00 0.00 H new ATOM 535 N LEU A 34 164.058 12.524 -9.984 1.00 0.00 N ATOM 536 CA LEU A 34 165.147 13.439 -9.644 1.00 0.00 C ATOM 537 C LEU A 34 165.669 14.183 -10.874 1.00 0.00 C ATOM 538 O LEU A 34 166.283 15.244 -10.744 1.00 0.00 O ATOM 539 CB LEU A 34 166.295 12.675 -8.980 1.00 0.00 C ATOM 540 CG LEU A 34 165.930 11.956 -7.679 1.00 0.00 C ATOM 541 CD1 LEU A 34 166.984 10.916 -7.328 1.00 0.00 C ATOM 542 CD2 LEU A 34 165.763 12.959 -6.545 1.00 0.00 C ATOM 0 H LEU A 34 164.342 11.550 -10.086 1.00 0.00 H new ATOM 0 HA LEU A 34 164.747 14.176 -8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 34 166.679 11.940 -9.688 1.00 0.00 H new ATOM 0 HB3 LEU A 34 167.106 13.374 -8.775 1.00 0.00 H new ATOM 0 HG LEU A 34 164.980 11.442 -7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 34 166.707 10.416 -6.400 1.00 0.00 H new ATOM 0 HD12 LEU A 34 167.051 10.181 -8.130 1.00 0.00 H new ATOM 0 HD13 LEU A 34 167.950 11.405 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 34 165.504 12.431 -5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 34 166.697 13.502 -6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 34 164.969 13.663 -6.796 1.00 0.00 H new ATOM 554 N GLY A 35 165.424 13.630 -12.063 1.00 0.00 N ATOM 555 CA GLY A 35 165.881 14.264 -13.287 1.00 0.00 C ATOM 556 C GLY A 35 167.394 14.274 -13.405 1.00 0.00 C ATOM 557 O GLY A 35 168.003 15.338 -13.515 1.00 0.00 O ATOM 0 H GLY A 35 164.917 12.755 -12.198 1.00 0.00 H new ATOM 0 HA2 GLY A 35 165.456 13.741 -14.144 1.00 0.00 H new ATOM 0 HA3 GLY A 35 165.510 15.288 -13.323 1.00 0.00 H new ATOM 561 N LEU A 36 168.001 13.087 -13.381 1.00 0.00 N ATOM 562 CA LEU A 36 169.454 12.967 -13.483 1.00 0.00 C ATOM 563 C LEU A 36 169.849 12.002 -14.600 1.00 0.00 C ATOM 564 O LEU A 36 170.419 10.940 -14.347 1.00 0.00 O ATOM 565 CB LEU A 36 170.061 12.510 -12.145 1.00 0.00 C ATOM 566 CG LEU A 36 169.186 11.581 -11.292 1.00 0.00 C ATOM 567 CD1 LEU A 36 169.447 10.122 -11.640 1.00 0.00 C ATOM 568 CD2 LEU A 36 169.440 11.828 -9.811 1.00 0.00 C ATOM 0 H LEU A 36 167.510 12.198 -13.292 1.00 0.00 H new ATOM 0 HA LEU A 36 169.851 13.953 -13.726 1.00 0.00 H new ATOM 0 HB2 LEU A 36 171.003 12.002 -12.351 1.00 0.00 H new ATOM 0 HB3 LEU A 36 170.299 13.395 -11.555 1.00 0.00 H new ATOM 0 HG LEU A 36 168.141 11.801 -11.509 1.00 0.00 H new ATOM 0 HD11 LEU A 36 168.816 9.482 -11.023 1.00 0.00 H new ATOM 0 HD12 LEU A 36 169.218 9.952 -12.692 1.00 0.00 H new ATOM 0 HD13 LEU A 36 170.495 9.885 -11.454 1.00 0.00 H new ATOM 0 HD21 LEU A 36 168.813 11.162 -9.218 1.00 0.00 H new ATOM 0 HD22 LEU A 36 170.489 11.635 -9.585 1.00 0.00 H new ATOM 0 HD23 LEU A 36 169.201 12.863 -9.569 1.00 0.00 H new ATOM 580 N HIS A 37 169.553 12.386 -15.841 1.00 0.00 N ATOM 581 CA HIS A 37 169.887 11.557 -17.001 1.00 0.00 C ATOM 582 C HIS A 37 171.400 11.358 -17.127 1.00 0.00 C ATOM 583 O HIS A 37 171.851 10.406 -17.767 1.00 0.00 O ATOM 584 CB HIS A 37 169.339 12.184 -18.286 1.00 0.00 C ATOM 585 CG HIS A 37 167.862 12.444 -18.252 1.00 0.00 C ATOM 586 ND1 HIS A 37 166.858 11.778 -17.632 1.00 0.00 N flip ATOM 587 CD2 HIS A 37 167.269 13.501 -18.908 1.00 0.00 C flip ATOM 588 CE1 HIS A 37 165.690 12.440 -17.921 1.00 0.00 C flip ATOM 589 NE2 HIS A 37 165.966 13.476 -18.693 1.00 0.00 N flip ATOM 0 H HIS A 37 169.084 13.263 -16.070 1.00 0.00 H new ATOM 0 HA HIS A 37 169.423 10.582 -16.852 1.00 0.00 H new ATOM 0 HB2 HIS A 37 169.859 13.124 -18.471 1.00 0.00 H new ATOM 0 HB3 HIS A 37 169.563 11.525 -19.125 1.00 0.00 H new ATOM 0 HD2 HIS A 37 167.789 14.236 -19.505 1.00 0.00 H new ATOM 0 HE1 HIS A 37 164.707 12.160 -17.574 1.00 0.00 H new ATOM 0 HE2 HIS A 37 165.288 14.143 -19.061 1.00 0.00 H new ATOM 598 N ASP A 38 172.180 12.253 -16.511 1.00 0.00 N ATOM 599 CA ASP A 38 173.635 12.159 -16.558 1.00 0.00 C ATOM 600 C ASP A 38 174.152 11.070 -15.616 1.00 0.00 C ATOM 601 O ASP A 38 175.266 10.576 -15.784 1.00 0.00 O ATOM 602 CB ASP A 38 174.267 13.504 -16.185 1.00 0.00 C ATOM 603 CG ASP A 38 173.920 14.602 -17.172 1.00 0.00 C ATOM 604 OD1 ASP A 38 174.539 14.644 -18.256 1.00 0.00 O ATOM 605 OD2 ASP A 38 173.028 15.419 -16.860 1.00 0.00 O ATOM 0 H ASP A 38 171.825 13.046 -15.977 1.00 0.00 H new ATOM 0 HA ASP A 38 173.917 11.895 -17.577 1.00 0.00 H new ATOM 0 HB2 ASP A 38 173.932 13.796 -15.190 1.00 0.00 H new ATOM 0 HB3 ASP A 38 175.350 13.392 -16.137 1.00 0.00 H new ATOM 610 N TYR A 39 173.333 10.685 -14.635 1.00 0.00 N ATOM 611 CA TYR A 39 173.715 9.643 -13.685 1.00 0.00 C ATOM 612 C TYR A 39 174.020 8.332 -14.411 1.00 0.00 C ATOM 613 O TYR A 39 174.860 7.549 -13.965 1.00 0.00 O ATOM 614 CB TYR A 39 172.607 9.421 -12.653 1.00 0.00 C ATOM 615 CG TYR A 39 173.122 9.195 -11.248 1.00 0.00 C ATOM 616 CD1 TYR A 39 173.505 7.928 -10.820 1.00 0.00 C ATOM 617 CD2 TYR A 39 173.227 10.249 -10.349 1.00 0.00 C ATOM 618 CE1 TYR A 39 173.974 7.721 -9.537 1.00 0.00 C ATOM 619 CE2 TYR A 39 173.696 10.049 -9.065 1.00 0.00 C ATOM 620 CZ TYR A 39 174.068 8.783 -8.665 1.00 0.00 C ATOM 621 OH TYR A 39 174.534 8.579 -7.387 1.00 0.00 O ATOM 0 H TYR A 39 172.405 11.079 -14.479 1.00 0.00 H new ATOM 0 HA TYR A 39 174.616 9.974 -13.169 1.00 0.00 H new ATOM 0 HB2 TYR A 39 171.944 10.286 -12.653 1.00 0.00 H new ATOM 0 HB3 TYR A 39 172.009 8.561 -12.954 1.00 0.00 H new ATOM 0 HD1 TYR A 39 173.435 7.093 -11.501 1.00 0.00 H new ATOM 0 HD2 TYR A 39 172.937 11.242 -10.659 1.00 0.00 H new ATOM 0 HE1 TYR A 39 174.266 6.731 -9.219 1.00 0.00 H new ATOM 0 HE2 TYR A 39 173.771 10.879 -8.379 1.00 0.00 H new ATOM 0 HH TYR A 39 174.539 9.430 -6.901 1.00 0.00 H new ATOM 631 N CYS A 40 173.327 8.096 -15.530 1.00 0.00 N ATOM 632 CA CYS A 40 173.521 6.877 -16.317 1.00 0.00 C ATOM 633 C CYS A 40 174.963 6.757 -16.819 1.00 0.00 C ATOM 634 O CYS A 40 175.532 5.666 -16.817 1.00 0.00 O ATOM 635 CB CYS A 40 172.549 6.840 -17.501 1.00 0.00 C ATOM 636 SG CYS A 40 172.021 5.175 -17.971 1.00 0.00 S ATOM 0 H CYS A 40 172.627 8.734 -15.910 1.00 0.00 H new ATOM 0 HA CYS A 40 173.318 6.029 -15.663 1.00 0.00 H new ATOM 0 HB2 CYS A 40 171.668 7.432 -17.253 1.00 0.00 H new ATOM 0 HB3 CYS A 40 173.022 7.316 -18.360 1.00 0.00 H new ATOM 0 HG CYS A 40 171.201 5.248 -18.977 1.00 0.00 H new ATOM 642 N ASP A 41 175.552 7.879 -17.245 1.00 0.00 N ATOM 643 CA ASP A 41 176.932 7.873 -17.741 1.00 0.00 C ATOM 644 C ASP A 41 177.932 7.993 -16.593 1.00 0.00 C ATOM 645 O ASP A 41 178.987 7.357 -16.616 1.00 0.00 O ATOM 646 CB ASP A 41 177.170 8.994 -18.764 1.00 0.00 C ATOM 647 CG ASP A 41 176.626 10.338 -18.320 1.00 0.00 C ATOM 648 OD1 ASP A 41 177.368 11.090 -17.654 1.00 0.00 O ATOM 649 OD2 ASP A 41 175.458 10.637 -18.643 1.00 0.00 O ATOM 0 H ASP A 41 175.101 8.794 -17.257 1.00 0.00 H new ATOM 0 HA ASP A 41 177.087 6.916 -18.240 1.00 0.00 H new ATOM 0 HB2 ASP A 41 178.240 9.086 -18.949 1.00 0.00 H new ATOM 0 HB3 ASP A 41 176.706 8.717 -19.711 1.00 0.00 H new ATOM 654 N ILE A 42 177.596 8.803 -15.588 1.00 0.00 N ATOM 655 CA ILE A 42 178.472 8.989 -14.432 1.00 0.00 C ATOM 656 C ILE A 42 178.659 7.676 -13.668 1.00 0.00 C ATOM 657 O ILE A 42 179.727 7.425 -13.106 1.00 0.00 O ATOM 658 CB ILE A 42 177.929 10.066 -13.463 1.00 0.00 C ATOM 659 CG1 ILE A 42 177.715 11.392 -14.198 1.00 0.00 C ATOM 660 CG2 ILE A 42 178.883 10.259 -12.290 1.00 0.00 C ATOM 661 CD1 ILE A 42 176.566 12.209 -13.650 1.00 0.00 C ATOM 0 H ILE A 42 176.728 9.338 -15.551 1.00 0.00 H new ATOM 0 HA ILE A 42 179.433 9.325 -14.821 1.00 0.00 H new ATOM 0 HB ILE A 42 176.968 9.726 -13.076 1.00 0.00 H new ATOM 0 HG12 ILE A 42 178.630 11.982 -14.140 1.00 0.00 H new ATOM 0 HG13 ILE A 42 177.534 11.188 -15.253 1.00 0.00 H new ATOM 0 HG21 ILE A 42 178.485 11.020 -11.619 1.00 0.00 H new ATOM 0 HG22 ILE A 42 178.990 9.319 -11.749 1.00 0.00 H new ATOM 0 HG23 ILE A 42 179.857 10.577 -12.662 1.00 0.00 H new ATOM 0 HD11 ILE A 42 176.474 13.134 -14.219 1.00 0.00 H new ATOM 0 HD12 ILE A 42 175.641 11.638 -13.733 1.00 0.00 H new ATOM 0 HD13 ILE A 42 176.754 12.444 -12.602 1.00 0.00 H new ATOM 673 N ILE A 43 177.616 6.844 -13.651 1.00 0.00 N ATOM 674 CA ILE A 43 177.665 5.560 -12.957 1.00 0.00 C ATOM 675 C ILE A 43 177.345 4.406 -13.908 1.00 0.00 C ATOM 676 O ILE A 43 176.235 4.319 -14.435 1.00 0.00 O ATOM 677 CB ILE A 43 176.677 5.526 -11.770 1.00 0.00 C ATOM 678 CG1 ILE A 43 176.889 6.739 -10.856 1.00 0.00 C ATOM 679 CG2 ILE A 43 176.829 4.230 -10.985 1.00 0.00 C ATOM 680 CD1 ILE A 43 178.281 6.823 -10.265 1.00 0.00 C ATOM 0 H ILE A 43 176.727 7.039 -14.111 1.00 0.00 H new ATOM 0 HA ILE A 43 178.680 5.442 -12.579 1.00 0.00 H new ATOM 0 HB ILE A 43 175.663 5.570 -12.167 1.00 0.00 H new ATOM 0 HG12 ILE A 43 176.689 7.648 -11.423 1.00 0.00 H new ATOM 0 HG13 ILE A 43 176.162 6.703 -10.045 1.00 0.00 H new ATOM 0 HG21 ILE A 43 176.125 4.224 -10.153 1.00 0.00 H new ATOM 0 HG22 ILE A 43 176.625 3.382 -11.639 1.00 0.00 H new ATOM 0 HG23 ILE A 43 177.846 4.155 -10.600 1.00 0.00 H new ATOM 0 HD11 ILE A 43 178.354 7.706 -9.631 1.00 0.00 H new ATOM 0 HD12 ILE A 43 178.478 5.931 -9.670 1.00 0.00 H new ATOM 0 HD13 ILE A 43 179.014 6.892 -11.069 1.00 0.00 H new ATOM 692 N LYS A 44 178.321 3.519 -14.116 1.00 0.00 N ATOM 693 CA LYS A 44 178.140 2.366 -15.001 1.00 0.00 C ATOM 694 C LYS A 44 177.133 1.372 -14.419 1.00 0.00 C ATOM 695 O LYS A 44 176.390 0.727 -15.160 1.00 0.00 O ATOM 696 CB LYS A 44 179.481 1.667 -15.254 1.00 0.00 C ATOM 697 CG LYS A 44 180.200 1.234 -13.984 1.00 0.00 C ATOM 698 CD LYS A 44 181.707 1.389 -14.117 1.00 0.00 C ATOM 699 CE LYS A 44 182.438 0.105 -13.749 1.00 0.00 C ATOM 700 NZ LYS A 44 183.650 0.370 -12.923 1.00 0.00 N ATOM 0 H LYS A 44 179.243 3.577 -13.684 1.00 0.00 H new ATOM 0 HA LYS A 44 177.747 2.734 -15.949 1.00 0.00 H new ATOM 0 HB2 LYS A 44 179.311 0.791 -15.880 1.00 0.00 H new ATOM 0 HB3 LYS A 44 180.130 2.339 -15.816 1.00 0.00 H new ATOM 0 HG2 LYS A 44 179.845 1.829 -13.143 1.00 0.00 H new ATOM 0 HG3 LYS A 44 179.958 0.194 -13.764 1.00 0.00 H new ATOM 0 HD2 LYS A 44 181.955 1.669 -15.141 1.00 0.00 H new ATOM 0 HD3 LYS A 44 182.048 2.200 -13.473 1.00 0.00 H new ATOM 0 HE2 LYS A 44 181.763 -0.552 -13.201 1.00 0.00 H new ATOM 0 HE3 LYS A 44 182.727 -0.421 -14.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 184.118 -0.530 -12.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 184.307 0.976 -13.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 183.372 0.849 -12.043 1.00 0.00 H new ATOM 714 N HIS A 45 177.113 1.256 -13.090 1.00 0.00 N ATOM 715 CA HIS A 45 176.195 0.346 -12.409 1.00 0.00 C ATOM 716 C HIS A 45 175.359 1.101 -11.375 1.00 0.00 C ATOM 717 O HIS A 45 175.761 1.233 -10.217 1.00 0.00 O ATOM 718 CB HIS A 45 176.971 -0.790 -11.733 1.00 0.00 C ATOM 719 CG HIS A 45 176.807 -2.120 -12.408 1.00 0.00 C ATOM 720 ND1 HIS A 45 176.702 -3.309 -11.716 1.00 0.00 N ATOM 721 CD2 HIS A 45 176.730 -2.446 -13.721 1.00 0.00 C ATOM 722 CE1 HIS A 45 176.571 -4.306 -12.572 1.00 0.00 C ATOM 723 NE2 HIS A 45 176.584 -3.810 -13.795 1.00 0.00 N ATOM 0 H HIS A 45 177.723 1.782 -12.465 1.00 0.00 H new ATOM 0 HA HIS A 45 175.524 -0.083 -13.153 1.00 0.00 H new ATOM 0 HB2 HIS A 45 178.030 -0.532 -11.712 1.00 0.00 H new ATOM 0 HB3 HIS A 45 176.643 -0.876 -10.697 1.00 0.00 H new ATOM 0 HD2 HIS A 45 176.775 -1.761 -14.555 1.00 0.00 H new ATOM 0 HE1 HIS A 45 176.470 -5.350 -12.315 1.00 0.00 H new ATOM 0 HE2 HIS A 45 176.499 -4.351 -14.655 1.00 0.00 H new ATOM 732 N PRO A 46 174.181 1.614 -11.784 1.00 0.00 N ATOM 733 CA PRO A 46 173.287 2.365 -10.891 1.00 0.00 C ATOM 734 C PRO A 46 172.684 1.487 -9.796 1.00 0.00 C ATOM 735 O PRO A 46 171.805 0.664 -10.060 1.00 0.00 O ATOM 736 CB PRO A 46 172.194 2.887 -11.831 1.00 0.00 C ATOM 737 CG PRO A 46 172.206 1.948 -12.988 1.00 0.00 C ATOM 738 CD PRO A 46 173.633 1.506 -13.150 1.00 0.00 C ATOM 0 HA PRO A 46 173.816 3.154 -10.357 1.00 0.00 H new ATOM 0 HB2 PRO A 46 171.221 2.897 -11.340 1.00 0.00 H new ATOM 0 HB3 PRO A 46 172.401 3.909 -12.149 1.00 0.00 H new ATOM 0 HG2 PRO A 46 171.552 1.095 -12.805 1.00 0.00 H new ATOM 0 HG3 PRO A 46 171.845 2.438 -13.892 1.00 0.00 H new ATOM 0 HD2 PRO A 46 173.697 0.486 -13.529 1.00 0.00 H new ATOM 0 HD3 PRO A 46 174.174 2.142 -13.851 1.00 0.00 H new ATOM 746 N MET A 47 173.166 1.664 -8.566 1.00 0.00 N ATOM 747 CA MET A 47 172.678 0.887 -7.430 1.00 0.00 C ATOM 748 C MET A 47 172.693 1.714 -6.144 1.00 0.00 C ATOM 749 O MET A 47 173.585 2.539 -5.938 1.00 0.00 O ATOM 750 CB MET A 47 173.522 -0.378 -7.252 1.00 0.00 C ATOM 751 CG MET A 47 172.959 -1.589 -7.979 1.00 0.00 C ATOM 752 SD MET A 47 173.741 -3.132 -7.472 1.00 0.00 S ATOM 753 CE MET A 47 172.950 -3.409 -5.889 1.00 0.00 C ATOM 0 H MET A 47 173.894 2.339 -8.332 1.00 0.00 H new ATOM 0 HA MET A 47 171.646 0.603 -7.637 1.00 0.00 H new ATOM 0 HB2 MET A 47 174.532 -0.185 -7.612 1.00 0.00 H new ATOM 0 HB3 MET A 47 173.601 -0.606 -6.189 1.00 0.00 H new ATOM 0 HG2 MET A 47 171.887 -1.652 -7.794 1.00 0.00 H new ATOM 0 HG3 MET A 47 173.090 -1.456 -9.053 1.00 0.00 H new ATOM 0 HE1 MET A 47 172.869 -4.480 -5.705 1.00 0.00 H new ATOM 0 HE2 MET A 47 173.545 -2.949 -5.100 1.00 0.00 H new ATOM 0 HE3 MET A 47 171.954 -2.966 -5.898 1.00 0.00 H new ATOM 763 N ASP A 48 171.700 1.484 -5.282 1.00 0.00 N ATOM 764 CA ASP A 48 171.596 2.205 -4.013 1.00 0.00 C ATOM 765 C ASP A 48 171.280 1.253 -2.861 1.00 0.00 C ATOM 766 O ASP A 48 170.998 0.073 -3.078 1.00 0.00 O ATOM 767 CB ASP A 48 170.515 3.288 -4.104 1.00 0.00 C ATOM 768 CG ASP A 48 171.074 4.626 -4.547 1.00 0.00 C ATOM 769 OD1 ASP A 48 171.409 4.762 -5.742 1.00 0.00 O ATOM 770 OD2 ASP A 48 171.177 5.536 -3.699 1.00 0.00 O ATOM 0 H ASP A 48 170.957 0.804 -5.440 1.00 0.00 H new ATOM 0 HA ASP A 48 172.560 2.674 -3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 48 169.743 2.970 -4.805 1.00 0.00 H new ATOM 0 HB3 ASP A 48 170.035 3.401 -3.132 1.00 0.00 H new ATOM 775 N MET A 49 171.324 1.777 -1.634 1.00 0.00 N ATOM 776 CA MET A 49 171.038 0.978 -0.439 1.00 0.00 C ATOM 777 C MET A 49 169.654 0.337 -0.527 1.00 0.00 C ATOM 778 O MET A 49 169.484 -0.838 -0.199 1.00 0.00 O ATOM 779 CB MET A 49 171.129 1.840 0.824 1.00 0.00 C ATOM 780 CG MET A 49 172.400 2.675 0.913 1.00 0.00 C ATOM 781 SD MET A 49 173.270 2.455 2.477 1.00 0.00 S ATOM 782 CE MET A 49 172.640 3.846 3.412 1.00 0.00 C ATOM 0 H MET A 49 171.555 2.752 -1.441 1.00 0.00 H new ATOM 0 HA MET A 49 171.786 0.187 -0.383 1.00 0.00 H new ATOM 0 HB2 MET A 49 170.266 2.505 0.861 1.00 0.00 H new ATOM 0 HB3 MET A 49 171.070 1.192 1.699 1.00 0.00 H new ATOM 0 HG2 MET A 49 173.064 2.406 0.092 1.00 0.00 H new ATOM 0 HG3 MET A 49 172.148 3.728 0.788 1.00 0.00 H new ATOM 0 HE1 MET A 49 172.607 3.588 4.470 1.00 0.00 H new ATOM 0 HE2 MET A 49 173.293 4.707 3.269 1.00 0.00 H new ATOM 0 HE3 MET A 49 171.636 4.092 3.067 1.00 0.00 H new ATOM 792 N SER A 50 168.668 1.115 -0.979 1.00 0.00 N ATOM 793 CA SER A 50 167.300 0.619 -1.117 1.00 0.00 C ATOM 794 C SER A 50 167.240 -0.532 -2.121 1.00 0.00 C ATOM 795 O SER A 50 166.460 -1.470 -1.955 1.00 0.00 O ATOM 796 CB SER A 50 166.365 1.748 -1.561 1.00 0.00 C ATOM 797 OG SER A 50 165.032 1.286 -1.710 1.00 0.00 O ATOM 0 H SER A 50 168.793 2.089 -1.255 1.00 0.00 H new ATOM 0 HA SER A 50 166.973 0.250 -0.145 1.00 0.00 H new ATOM 0 HB2 SER A 50 166.393 2.555 -0.829 1.00 0.00 H new ATOM 0 HB3 SER A 50 166.716 2.163 -2.506 1.00 0.00 H new ATOM 0 HG SER A 50 164.409 2.017 -1.517 1.00 0.00 H new ATOM 803 N THR A 51 168.074 -0.456 -3.159 1.00 0.00 N ATOM 804 CA THR A 51 168.121 -1.494 -4.186 1.00 0.00 C ATOM 805 C THR A 51 168.733 -2.779 -3.628 1.00 0.00 C ATOM 806 O THR A 51 168.245 -3.877 -3.902 1.00 0.00 O ATOM 807 CB THR A 51 168.920 -1.008 -5.402 1.00 0.00 C ATOM 808 OG1 THR A 51 168.359 0.184 -5.926 1.00 0.00 O ATOM 809 CG2 THR A 51 168.977 -2.019 -6.530 1.00 0.00 C ATOM 0 H THR A 51 168.726 0.314 -3.310 1.00 0.00 H new ATOM 0 HA THR A 51 167.100 -1.708 -4.502 1.00 0.00 H new ATOM 0 HB THR A 51 169.932 -0.843 -5.032 1.00 0.00 H new ATOM 0 HG1 THR A 51 168.883 0.480 -6.700 1.00 0.00 H new ATOM 0 HG21 THR A 51 169.557 -1.609 -7.357 1.00 0.00 H new ATOM 0 HG22 THR A 51 169.449 -2.935 -6.174 1.00 0.00 H new ATOM 0 HG23 THR A 51 167.966 -2.241 -6.871 1.00 0.00 H new ATOM 817 N ILE A 52 169.798 -2.636 -2.837 1.00 0.00 N ATOM 818 CA ILE A 52 170.463 -3.789 -2.236 1.00 0.00 C ATOM 819 C ILE A 52 169.550 -4.473 -1.219 1.00 0.00 C ATOM 820 O ILE A 52 169.431 -5.699 -1.206 1.00 0.00 O ATOM 821 CB ILE A 52 171.785 -3.393 -1.539 1.00 0.00 C ATOM 822 CG1 ILE A 52 172.685 -2.591 -2.486 1.00 0.00 C ATOM 823 CG2 ILE A 52 172.513 -4.635 -1.042 1.00 0.00 C ATOM 824 CD1 ILE A 52 173.506 -1.529 -1.786 1.00 0.00 C ATOM 0 H ILE A 52 170.216 -1.736 -2.600 1.00 0.00 H new ATOM 0 HA ILE A 52 170.691 -4.479 -3.049 1.00 0.00 H new ATOM 0 HB ILE A 52 171.543 -2.761 -0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 52 173.357 -3.276 -3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 52 172.066 -2.117 -3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 52 173.442 -4.341 -0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 52 171.881 -5.167 -0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 52 172.737 -5.287 -1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 52 174.118 -1.002 -2.517 1.00 0.00 H new ATOM 0 HD12 ILE A 52 172.840 -0.821 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 52 174.151 -1.999 -1.044 1.00 0.00 H new ATOM 836 N LYS A 53 168.900 -3.675 -0.371 1.00 0.00 N ATOM 837 CA LYS A 53 167.996 -4.214 0.641 1.00 0.00 C ATOM 838 C LYS A 53 166.758 -4.834 -0.004 1.00 0.00 C ATOM 839 O LYS A 53 166.231 -5.830 0.490 1.00 0.00 O ATOM 840 CB LYS A 53 167.579 -3.125 1.634 1.00 0.00 C ATOM 841 CG LYS A 53 168.400 -3.127 2.914 1.00 0.00 C ATOM 842 CD LYS A 53 168.092 -1.915 3.781 1.00 0.00 C ATOM 843 CE LYS A 53 166.861 -2.144 4.648 1.00 0.00 C ATOM 844 NZ LYS A 53 167.189 -2.861 5.915 1.00 0.00 N ATOM 0 H LYS A 53 168.983 -2.658 -0.366 1.00 0.00 H new ATOM 0 HA LYS A 53 168.532 -4.994 1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 53 167.672 -2.151 1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 53 166.527 -3.257 1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 53 168.196 -4.038 3.476 1.00 0.00 H new ATOM 0 HG3 LYS A 53 169.461 -3.137 2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 53 168.949 -1.694 4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 53 167.933 -1.043 3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 53 166.402 -1.184 4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 53 166.125 -2.720 4.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 166.321 -2.995 6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 167.604 -3.788 5.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 167.871 -2.300 6.465 1.00 0.00 H new ATOM 858 N SER A 54 166.301 -4.242 -1.112 1.00 0.00 N ATOM 859 CA SER A 54 165.124 -4.743 -1.822 1.00 0.00 C ATOM 860 C SER A 54 165.317 -6.200 -2.241 1.00 0.00 C ATOM 861 O SER A 54 164.400 -7.014 -2.112 1.00 0.00 O ATOM 862 CB SER A 54 164.829 -3.875 -3.051 1.00 0.00 C ATOM 863 OG SER A 54 163.643 -4.297 -3.704 1.00 0.00 O ATOM 0 H SER A 54 166.728 -3.418 -1.534 1.00 0.00 H new ATOM 0 HA SER A 54 164.274 -4.691 -1.142 1.00 0.00 H new ATOM 0 HB2 SER A 54 164.729 -2.833 -2.748 1.00 0.00 H new ATOM 0 HB3 SER A 54 165.668 -3.926 -3.745 1.00 0.00 H new ATOM 0 HG SER A 54 163.478 -3.726 -4.483 1.00 0.00 H new ATOM 869 N LYS A 55 166.514 -6.529 -2.730 1.00 0.00 N ATOM 870 CA LYS A 55 166.817 -7.898 -3.148 1.00 0.00 C ATOM 871 C LYS A 55 166.677 -8.853 -1.965 1.00 0.00 C ATOM 872 O LYS A 55 166.006 -9.880 -2.060 1.00 0.00 O ATOM 873 CB LYS A 55 168.230 -7.985 -3.734 1.00 0.00 C ATOM 874 CG LYS A 55 168.277 -7.811 -5.245 1.00 0.00 C ATOM 875 CD LYS A 55 169.709 -7.773 -5.757 1.00 0.00 C ATOM 876 CE LYS A 55 169.858 -8.543 -7.062 1.00 0.00 C ATOM 877 NZ LYS A 55 169.776 -7.650 -8.254 1.00 0.00 N ATOM 0 H LYS A 55 167.285 -5.871 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 55 166.106 -8.187 -3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 55 168.854 -7.221 -3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 55 168.663 -8.951 -3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 55 167.740 -8.630 -5.724 1.00 0.00 H new ATOM 0 HG3 LYS A 55 167.766 -6.889 -5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 55 170.015 -6.738 -5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 55 170.376 -8.196 -5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 55 170.814 -9.066 -7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 55 169.079 -9.303 -7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 169.882 -8.216 -9.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 168.853 -7.170 -8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 170.535 -6.940 -8.209 1.00 0.00 H new ATOM 891 N LEU A 56 167.304 -8.494 -0.844 1.00 0.00 N ATOM 892 CA LEU A 56 167.239 -9.306 0.369 1.00 0.00 C ATOM 893 C LEU A 56 165.792 -9.434 0.854 1.00 0.00 C ATOM 894 O LEU A 56 165.391 -10.485 1.358 1.00 0.00 O ATOM 895 CB LEU A 56 168.124 -8.685 1.461 1.00 0.00 C ATOM 896 CG LEU A 56 167.827 -9.126 2.901 1.00 0.00 C ATOM 897 CD1 LEU A 56 168.084 -10.616 3.076 1.00 0.00 C ATOM 898 CD2 LEU A 56 168.665 -8.319 3.885 1.00 0.00 C ATOM 0 H LEU A 56 167.863 -7.646 -0.752 1.00 0.00 H new ATOM 0 HA LEU A 56 167.609 -10.306 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 56 169.164 -8.923 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 56 168.026 -7.601 1.407 1.00 0.00 H new ATOM 0 HG LEU A 56 166.773 -8.939 3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 56 167.867 -10.904 4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 56 167.442 -11.178 2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 56 169.128 -10.834 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 56 168.444 -8.643 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 56 169.723 -8.476 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 56 168.428 -7.260 3.782 1.00 0.00 H new ATOM 910 N GLU A 57 165.011 -8.361 0.689 1.00 0.00 N ATOM 911 CA GLU A 57 163.606 -8.353 1.100 1.00 0.00 C ATOM 912 C GLU A 57 162.812 -9.436 0.369 1.00 0.00 C ATOM 913 O GLU A 57 161.953 -10.092 0.960 1.00 0.00 O ATOM 914 CB GLU A 57 162.975 -6.983 0.837 1.00 0.00 C ATOM 915 CG GLU A 57 163.517 -5.881 1.732 1.00 0.00 C ATOM 916 CD GLU A 57 162.419 -5.057 2.373 1.00 0.00 C ATOM 917 OE1 GLU A 57 161.820 -4.218 1.669 1.00 0.00 O ATOM 918 OE2 GLU A 57 162.159 -5.250 3.580 1.00 0.00 O ATOM 0 H GLU A 57 165.330 -7.486 0.273 1.00 0.00 H new ATOM 0 HA GLU A 57 163.573 -8.561 2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 57 163.143 -6.709 -0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 57 161.897 -7.056 0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 57 164.136 -6.324 2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 57 164.162 -5.226 1.146 1.00 0.00 H new ATOM 925 N ALA A 58 163.107 -9.620 -0.920 1.00 0.00 N ATOM 926 CA ALA A 58 162.421 -10.627 -1.732 1.00 0.00 C ATOM 927 C ALA A 58 163.143 -11.983 -1.695 1.00 0.00 C ATOM 928 O ALA A 58 162.875 -12.854 -2.526 1.00 0.00 O ATOM 929 CB ALA A 58 162.281 -10.138 -3.169 1.00 0.00 C ATOM 0 H ALA A 58 163.815 -9.086 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 58 161.429 -10.775 -1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 58 161.769 -10.895 -3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 58 161.703 -9.214 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 58 163.270 -9.955 -3.589 1.00 0.00 H new ATOM 935 N ARG A 59 164.057 -12.158 -0.733 1.00 0.00 N ATOM 936 CA ARG A 59 164.816 -13.405 -0.591 1.00 0.00 C ATOM 937 C ARG A 59 165.683 -13.680 -1.824 1.00 0.00 C ATOM 938 O ARG A 59 165.982 -14.835 -2.136 1.00 0.00 O ATOM 939 CB ARG A 59 163.874 -14.591 -0.329 1.00 0.00 C ATOM 940 CG ARG A 59 163.927 -15.107 1.102 1.00 0.00 C ATOM 941 CD ARG A 59 164.409 -16.552 1.167 1.00 0.00 C ATOM 942 NE ARG A 59 163.299 -17.507 1.164 1.00 0.00 N ATOM 943 CZ ARG A 59 162.441 -17.662 2.177 1.00 0.00 C ATOM 944 NH1 ARG A 59 162.558 -16.928 3.281 1.00 0.00 N ATOM 945 NH2 ARG A 59 161.464 -18.556 2.087 1.00 0.00 N ATOM 0 H ARG A 59 164.289 -11.448 -0.039 1.00 0.00 H new ATOM 0 HA ARG A 59 165.478 -13.287 0.267 1.00 0.00 H new ATOM 0 HB2 ARG A 59 162.852 -14.290 -0.560 1.00 0.00 H new ATOM 0 HB3 ARG A 59 164.129 -15.404 -1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 59 164.592 -14.476 1.691 1.00 0.00 H new ATOM 0 HG3 ARG A 59 162.937 -15.034 1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 59 165.062 -16.754 0.318 1.00 0.00 H new ATOM 0 HD3 ARG A 59 165.005 -16.694 2.068 1.00 0.00 H new ATOM 0 HE ARG A 59 163.173 -18.091 0.337 1.00 0.00 H new ATOM 0 HH11 ARG A 59 163.307 -16.240 3.359 1.00 0.00 H new ATOM 0 HH12 ARG A 59 161.898 -17.053 4.049 1.00 0.00 H new ATOM 0 HH21 ARG A 59 161.368 -19.124 1.245 1.00 0.00 H new ATOM 0 HH22 ARG A 59 160.809 -18.675 2.860 1.00 0.00 H new ATOM 959 N GLU A 60 166.102 -12.615 -2.509 1.00 0.00 N ATOM 960 CA GLU A 60 166.949 -12.749 -3.691 1.00 0.00 C ATOM 961 C GLU A 60 168.380 -13.104 -3.287 1.00 0.00 C ATOM 962 O GLU A 60 169.047 -13.891 -3.960 1.00 0.00 O ATOM 963 CB GLU A 60 166.941 -11.458 -4.515 1.00 0.00 C ATOM 964 CG GLU A 60 165.580 -11.114 -5.105 1.00 0.00 C ATOM 965 CD GLU A 60 165.674 -10.581 -6.522 1.00 0.00 C ATOM 966 OE1 GLU A 60 165.867 -11.394 -7.451 1.00 0.00 O ATOM 967 OE2 GLU A 60 165.555 -9.351 -6.702 1.00 0.00 O ATOM 0 H GLU A 60 165.868 -11.653 -2.265 1.00 0.00 H new ATOM 0 HA GLU A 60 166.547 -13.555 -4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 60 167.272 -10.633 -3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 60 167.665 -11.550 -5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 60 164.950 -12.003 -5.097 1.00 0.00 H new ATOM 0 HG3 GLU A 60 165.092 -10.372 -4.474 1.00 0.00 H new ATOM 974 N TYR A 61 168.841 -12.525 -2.178 1.00 0.00 N ATOM 975 CA TYR A 61 170.188 -12.788 -1.674 1.00 0.00 C ATOM 976 C TYR A 61 170.270 -14.175 -1.044 1.00 0.00 C ATOM 977 O TYR A 61 169.852 -14.374 0.098 1.00 0.00 O ATOM 978 CB TYR A 61 170.593 -11.724 -0.648 1.00 0.00 C ATOM 979 CG TYR A 61 171.266 -10.511 -1.254 1.00 0.00 C ATOM 980 CD1 TYR A 61 172.410 -10.642 -2.035 1.00 0.00 C ATOM 981 CD2 TYR A 61 170.760 -9.234 -1.042 1.00 0.00 C ATOM 982 CE1 TYR A 61 173.027 -9.535 -2.586 1.00 0.00 C ATOM 983 CE2 TYR A 61 171.374 -8.125 -1.590 1.00 0.00 C ATOM 984 CZ TYR A 61 172.506 -8.280 -2.360 1.00 0.00 C ATOM 985 OH TYR A 61 173.121 -7.177 -2.904 1.00 0.00 O ATOM 0 H TYR A 61 168.301 -11.871 -1.612 1.00 0.00 H new ATOM 0 HA TYR A 61 170.878 -12.748 -2.517 1.00 0.00 H new ATOM 0 HB2 TYR A 61 169.705 -11.401 -0.105 1.00 0.00 H new ATOM 0 HB3 TYR A 61 171.266 -12.174 0.081 1.00 0.00 H new ATOM 0 HD1 TYR A 61 172.822 -11.624 -2.213 1.00 0.00 H new ATOM 0 HD2 TYR A 61 169.873 -9.107 -0.439 1.00 0.00 H new ATOM 0 HE1 TYR A 61 173.914 -9.653 -3.191 1.00 0.00 H new ATOM 0 HE2 TYR A 61 170.968 -7.139 -1.416 1.00 0.00 H new ATOM 0 HH TYR A 61 172.465 -6.652 -3.408 1.00 0.00 H new ATOM 995 N ARG A 62 170.816 -15.130 -1.796 1.00 0.00 N ATOM 996 CA ARG A 62 170.961 -16.502 -1.311 1.00 0.00 C ATOM 997 C ARG A 62 172.017 -16.585 -0.211 1.00 0.00 C ATOM 998 O ARG A 62 171.907 -17.402 0.704 1.00 0.00 O ATOM 999 CB ARG A 62 171.335 -17.439 -2.462 1.00 0.00 C ATOM 1000 CG ARG A 62 170.163 -17.787 -3.368 1.00 0.00 C ATOM 1001 CD ARG A 62 170.632 -18.321 -4.713 1.00 0.00 C ATOM 1002 NE ARG A 62 170.773 -19.778 -4.712 1.00 0.00 N ATOM 1003 CZ ARG A 62 171.467 -20.463 -5.626 1.00 0.00 C ATOM 1004 NH1 ARG A 62 172.083 -19.830 -6.621 1.00 0.00 N ATOM 1005 NH2 ARG A 62 171.546 -21.787 -5.546 1.00 0.00 N ATOM 0 H ARG A 62 171.165 -14.979 -2.743 1.00 0.00 H new ATOM 0 HA ARG A 62 170.003 -16.813 -0.895 1.00 0.00 H new ATOM 0 HB2 ARG A 62 172.119 -16.973 -3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 62 171.751 -18.359 -2.051 1.00 0.00 H new ATOM 0 HG2 ARG A 62 169.534 -18.532 -2.880 1.00 0.00 H new ATOM 0 HG3 ARG A 62 169.547 -16.901 -3.523 1.00 0.00 H new ATOM 0 HD2 ARG A 62 169.922 -18.027 -5.486 1.00 0.00 H new ATOM 0 HD3 ARG A 62 171.589 -17.865 -4.969 1.00 0.00 H new ATOM 0 HE ARG A 62 170.313 -20.303 -3.968 1.00 0.00 H new ATOM 0 HH11 ARG A 62 172.028 -18.814 -6.691 1.00 0.00 H new ATOM 0 HH12 ARG A 62 172.610 -20.361 -7.314 1.00 0.00 H new ATOM 0 HH21 ARG A 62 171.077 -22.281 -4.787 1.00 0.00 H new ATOM 0 HH22 ARG A 62 172.076 -22.309 -6.244 1.00 0.00 H new ATOM 1019 N ASP A 63 173.040 -15.733 -0.302 1.00 0.00 N ATOM 1020 CA ASP A 63 174.107 -15.720 0.694 1.00 0.00 C ATOM 1021 C ASP A 63 174.639 -14.309 0.924 1.00 0.00 C ATOM 1022 O ASP A 63 174.479 -13.423 0.079 1.00 0.00 O ATOM 1023 CB ASP A 63 175.252 -16.643 0.265 1.00 0.00 C ATOM 1024 CG ASP A 63 174.963 -18.106 0.548 1.00 0.00 C ATOM 1025 OD1 ASP A 63 174.482 -18.416 1.658 1.00 0.00 O ATOM 1026 OD2 ASP A 63 175.219 -18.943 -0.341 1.00 0.00 O ATOM 0 H ASP A 63 173.150 -15.049 -1.050 1.00 0.00 H new ATOM 0 HA ASP A 63 173.685 -16.082 1.632 1.00 0.00 H new ATOM 0 HB2 ASP A 63 175.438 -16.513 -0.801 1.00 0.00 H new ATOM 0 HB3 ASP A 63 176.164 -16.350 0.785 1.00 0.00 H new ATOM 1031 N ALA A 64 175.293 -14.113 2.070 1.00 0.00 N ATOM 1032 CA ALA A 64 175.873 -12.816 2.412 1.00 0.00 C ATOM 1033 C ALA A 64 177.090 -12.505 1.535 1.00 0.00 C ATOM 1034 O ALA A 64 177.545 -11.361 1.482 1.00 0.00 O ATOM 1035 CB ALA A 64 176.257 -12.772 3.885 1.00 0.00 C ATOM 0 H ALA A 64 175.434 -14.836 2.776 1.00 0.00 H new ATOM 0 HA ALA A 64 175.117 -12.053 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 64 176.687 -11.798 4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 64 175.370 -12.934 4.497 1.00 0.00 H new ATOM 0 HB3 ALA A 64 176.989 -13.552 4.094 1.00 0.00 H new ATOM 1041 N GLN A 65 177.611 -13.526 0.843 1.00 0.00 N ATOM 1042 CA GLN A 65 178.766 -13.351 -0.032 1.00 0.00 C ATOM 1043 C GLN A 65 178.435 -12.393 -1.173 1.00 0.00 C ATOM 1044 O GLN A 65 179.211 -11.487 -1.478 1.00 0.00 O ATOM 1045 CB GLN A 65 179.219 -14.702 -0.594 1.00 0.00 C ATOM 1046 CG GLN A 65 180.210 -15.430 0.301 1.00 0.00 C ATOM 1047 CD GLN A 65 179.573 -16.558 1.093 1.00 0.00 C ATOM 1048 OE1 GLN A 65 178.624 -17.196 0.638 1.00 0.00 O ATOM 1049 NE2 GLN A 65 180.096 -16.809 2.288 1.00 0.00 N ATOM 0 H GLN A 65 177.248 -14.479 0.875 1.00 0.00 H new ATOM 0 HA GLN A 65 179.579 -12.924 0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 65 178.345 -15.335 -0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 65 179.672 -14.546 -1.573 1.00 0.00 H new ATOM 0 HG2 GLN A 65 181.017 -15.833 -0.311 1.00 0.00 H new ATOM 0 HG3 GLN A 65 180.660 -14.717 0.992 1.00 0.00 H new ATOM 0 HE21 GLN A 65 180.883 -16.255 2.627 1.00 0.00 H new ATOM 0 HE22 GLN A 65 179.711 -17.555 2.867 1.00 0.00 H new ATOM 1058 N GLU A 66 177.270 -12.590 -1.789 1.00 0.00 N ATOM 1059 CA GLU A 66 176.829 -11.731 -2.885 1.00 0.00 C ATOM 1060 C GLU A 66 176.438 -10.346 -2.366 1.00 0.00 C ATOM 1061 O GLU A 66 176.614 -9.344 -3.058 1.00 0.00 O ATOM 1062 CB GLU A 66 175.647 -12.366 -3.621 1.00 0.00 C ATOM 1063 CG GLU A 66 175.628 -12.063 -5.110 1.00 0.00 C ATOM 1064 CD GLU A 66 174.223 -12.000 -5.677 1.00 0.00 C ATOM 1065 OE1 GLU A 66 173.469 -11.079 -5.299 1.00 0.00 O ATOM 1066 OE2 GLU A 66 173.876 -12.873 -6.499 1.00 0.00 O ATOM 0 H GLU A 66 176.617 -13.335 -1.548 1.00 0.00 H new ATOM 0 HA GLU A 66 177.660 -11.619 -3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 66 175.678 -13.446 -3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 66 174.718 -12.012 -3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 66 176.131 -11.113 -5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 66 176.195 -12.829 -5.640 1.00 0.00 H new ATOM 1073 N PHE A 67 175.910 -10.300 -1.138 1.00 0.00 N ATOM 1074 CA PHE A 67 175.496 -9.041 -0.519 1.00 0.00 C ATOM 1075 C PHE A 67 176.647 -8.038 -0.498 1.00 0.00 C ATOM 1076 O PHE A 67 176.506 -6.910 -0.974 1.00 0.00 O ATOM 1077 CB PHE A 67 174.999 -9.293 0.908 1.00 0.00 C ATOM 1078 CG PHE A 67 173.894 -8.368 1.341 1.00 0.00 C ATOM 1079 CD1 PHE A 67 174.094 -6.997 1.390 1.00 0.00 C ATOM 1080 CD2 PHE A 67 172.657 -8.874 1.705 1.00 0.00 C ATOM 1081 CE1 PHE A 67 173.080 -6.149 1.793 1.00 0.00 C ATOM 1082 CE2 PHE A 67 171.640 -8.031 2.109 1.00 0.00 C ATOM 1083 CZ PHE A 67 171.851 -6.667 2.153 1.00 0.00 C ATOM 0 H PHE A 67 175.760 -11.123 -0.554 1.00 0.00 H new ATOM 0 HA PHE A 67 174.685 -8.622 -1.114 1.00 0.00 H new ATOM 0 HB2 PHE A 67 174.648 -10.322 0.984 1.00 0.00 H new ATOM 0 HB3 PHE A 67 175.837 -9.190 1.598 1.00 0.00 H new ATOM 0 HD1 PHE A 67 175.053 -6.587 1.110 1.00 0.00 H new ATOM 0 HD2 PHE A 67 172.486 -9.940 1.673 1.00 0.00 H new ATOM 0 HE1 PHE A 67 173.248 -5.083 1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 67 170.680 -8.439 2.390 1.00 0.00 H new ATOM 0 HZ PHE A 67 171.057 -6.007 2.468 1.00 0.00 H new ATOM 1093 N GLY A 68 177.786 -8.461 0.051 1.00 0.00 N ATOM 1094 CA GLY A 68 178.953 -7.596 0.122 1.00 0.00 C ATOM 1095 C GLY A 68 179.464 -7.189 -1.248 1.00 0.00 C ATOM 1096 O GLY A 68 180.002 -6.093 -1.411 1.00 0.00 O ATOM 0 H GLY A 68 177.920 -9.391 0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 68 178.703 -6.702 0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 68 179.748 -8.108 0.664 1.00 0.00 H new ATOM 1100 N ALA A 69 179.291 -8.071 -2.237 1.00 0.00 N ATOM 1101 CA ALA A 69 179.732 -7.796 -3.604 1.00 0.00 C ATOM 1102 C ALA A 69 179.026 -6.565 -4.172 1.00 0.00 C ATOM 1103 O ALA A 69 179.647 -5.737 -4.841 1.00 0.00 O ATOM 1104 CB ALA A 69 179.488 -9.008 -4.497 1.00 0.00 C ATOM 0 H ALA A 69 178.848 -8.982 -2.114 1.00 0.00 H new ATOM 0 HA ALA A 69 180.802 -7.590 -3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 69 179.822 -8.786 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 69 180.044 -9.862 -4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 69 178.424 -9.243 -4.509 1.00 0.00 H new ATOM 1110 N ASP A 70 177.724 -6.452 -3.900 1.00 0.00 N ATOM 1111 CA ASP A 70 176.929 -5.322 -4.382 1.00 0.00 C ATOM 1112 C ASP A 70 177.245 -4.046 -3.602 1.00 0.00 C ATOM 1113 O ASP A 70 177.310 -2.960 -4.180 1.00 0.00 O ATOM 1114 CB ASP A 70 175.433 -5.638 -4.281 1.00 0.00 C ATOM 1115 CG ASP A 70 174.985 -6.653 -5.316 1.00 0.00 C ATOM 1116 OD1 ASP A 70 175.144 -7.866 -5.067 1.00 0.00 O ATOM 1117 OD2 ASP A 70 174.473 -6.236 -6.375 1.00 0.00 O ATOM 0 H ASP A 70 177.198 -7.130 -3.348 1.00 0.00 H new ATOM 0 HA ASP A 70 177.190 -5.156 -5.427 1.00 0.00 H new ATOM 0 HB2 ASP A 70 175.211 -6.018 -3.284 1.00 0.00 H new ATOM 0 HB3 ASP A 70 174.861 -4.719 -4.406 1.00 0.00 H new ATOM 1122 N VAL A 71 177.446 -4.180 -2.291 1.00 0.00 N ATOM 1123 CA VAL A 71 177.759 -3.030 -1.445 1.00 0.00 C ATOM 1124 C VAL A 71 179.101 -2.418 -1.836 1.00 0.00 C ATOM 1125 O VAL A 71 179.222 -1.200 -1.970 1.00 0.00 O ATOM 1126 CB VAL A 71 177.795 -3.404 0.052 1.00 0.00 C ATOM 1127 CG1 VAL A 71 177.965 -2.158 0.910 1.00 0.00 C ATOM 1128 CG2 VAL A 71 176.540 -4.170 0.450 1.00 0.00 C ATOM 0 H VAL A 71 177.398 -5.070 -1.794 1.00 0.00 H new ATOM 0 HA VAL A 71 176.962 -2.303 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 71 178.653 -4.055 0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 71 177.988 -2.441 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 71 178.898 -1.660 0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 71 177.130 -1.479 0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 71 176.588 -4.423 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 71 175.662 -3.551 0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 71 176.470 -5.085 -0.138 1.00 0.00 H new ATOM 1138 N ARG A 72 180.107 -3.272 -2.020 1.00 0.00 N ATOM 1139 CA ARG A 72 181.441 -2.817 -2.400 1.00 0.00 C ATOM 1140 C ARG A 72 181.406 -2.054 -3.727 1.00 0.00 C ATOM 1141 O ARG A 72 182.175 -1.114 -3.930 1.00 0.00 O ATOM 1142 CB ARG A 72 182.399 -4.007 -2.502 1.00 0.00 C ATOM 1143 CG ARG A 72 182.924 -4.482 -1.156 1.00 0.00 C ATOM 1144 CD ARG A 72 183.728 -5.768 -1.289 1.00 0.00 C ATOM 1145 NE ARG A 72 183.338 -6.767 -0.295 1.00 0.00 N ATOM 1146 CZ ARG A 72 183.566 -6.648 1.017 1.00 0.00 C ATOM 1147 NH1 ARG A 72 184.183 -5.573 1.502 1.00 0.00 N ATOM 1148 NH2 ARG A 72 183.177 -7.609 1.847 1.00 0.00 N ATOM 0 H ARG A 72 180.022 -4.283 -1.912 1.00 0.00 H new ATOM 0 HA ARG A 72 181.799 -2.138 -1.626 1.00 0.00 H new ATOM 0 HB2 ARG A 72 181.888 -4.833 -2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 72 183.242 -3.731 -3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 72 183.549 -3.706 -0.714 1.00 0.00 H new ATOM 0 HG3 ARG A 72 182.088 -4.644 -0.475 1.00 0.00 H new ATOM 0 HD2 ARG A 72 183.590 -6.179 -2.289 1.00 0.00 H new ATOM 0 HD3 ARG A 72 184.789 -5.544 -1.180 1.00 0.00 H new ATOM 0 HE ARG A 72 182.862 -7.607 -0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 72 184.486 -4.831 0.871 1.00 0.00 H new ATOM 0 HH12 ARG A 72 184.353 -5.491 2.504 1.00 0.00 H new ATOM 0 HH21 ARG A 72 182.705 -8.437 1.483 1.00 0.00 H new ATOM 0 HH22 ARG A 72 183.350 -7.519 2.848 1.00 0.00 H new ATOM 1162 N LEU A 73 180.505 -2.461 -4.625 1.00 0.00 N ATOM 1163 CA LEU A 73 180.368 -1.810 -5.928 1.00 0.00 C ATOM 1164 C LEU A 73 179.706 -0.441 -5.787 1.00 0.00 C ATOM 1165 O LEU A 73 180.175 0.545 -6.359 1.00 0.00 O ATOM 1166 CB LEU A 73 179.552 -2.689 -6.881 1.00 0.00 C ATOM 1167 CG LEU A 73 179.749 -2.387 -8.371 1.00 0.00 C ATOM 1168 CD1 LEU A 73 180.659 -3.425 -9.012 1.00 0.00 C ATOM 1169 CD2 LEU A 73 178.408 -2.337 -9.089 1.00 0.00 C ATOM 0 H LEU A 73 179.861 -3.237 -4.473 1.00 0.00 H new ATOM 0 HA LEU A 73 181.367 -1.670 -6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 73 179.811 -3.732 -6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 73 178.495 -2.576 -6.640 1.00 0.00 H new ATOM 0 HG LEU A 73 180.224 -1.410 -8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 73 180.787 -3.194 -10.069 1.00 0.00 H new ATOM 0 HD12 LEU A 73 181.630 -3.412 -8.518 1.00 0.00 H new ATOM 0 HD13 LEU A 73 180.212 -4.414 -8.908 1.00 0.00 H new ATOM 0 HD21 LEU A 73 178.569 -2.121 -10.145 1.00 0.00 H new ATOM 0 HD22 LEU A 73 177.905 -3.299 -8.987 1.00 0.00 H new ATOM 0 HD23 LEU A 73 177.789 -1.555 -8.649 1.00 0.00 H new ATOM 1181 N MET A 74 178.615 -0.388 -5.022 1.00 0.00 N ATOM 1182 CA MET A 74 177.886 0.860 -4.801 1.00 0.00 C ATOM 1183 C MET A 74 178.788 1.914 -4.163 1.00 0.00 C ATOM 1184 O MET A 74 178.758 3.083 -4.548 1.00 0.00 O ATOM 1185 CB MET A 74 176.663 0.615 -3.913 1.00 0.00 C ATOM 1186 CG MET A 74 175.736 1.817 -3.800 1.00 0.00 C ATOM 1187 SD MET A 74 175.399 2.281 -2.091 1.00 0.00 S ATOM 1188 CE MET A 74 176.921 3.121 -1.661 1.00 0.00 C ATOM 0 H MET A 74 178.217 -1.197 -4.545 1.00 0.00 H new ATOM 0 HA MET A 74 177.553 1.230 -5.771 1.00 0.00 H new ATOM 0 HB2 MET A 74 176.100 -0.230 -4.310 1.00 0.00 H new ATOM 0 HB3 MET A 74 177.000 0.333 -2.916 1.00 0.00 H new ATOM 0 HG2 MET A 74 176.182 2.664 -4.321 1.00 0.00 H new ATOM 0 HG3 MET A 74 174.795 1.593 -4.303 1.00 0.00 H new ATOM 0 HE1 MET A 74 176.910 3.374 -0.601 1.00 0.00 H new ATOM 0 HE2 MET A 74 177.768 2.468 -1.870 1.00 0.00 H new ATOM 0 HE3 MET A 74 177.012 4.033 -2.251 1.00 0.00 H new ATOM 1198 N PHE A 75 179.592 1.488 -3.187 1.00 0.00 N ATOM 1199 CA PHE A 75 180.508 2.390 -2.496 1.00 0.00 C ATOM 1200 C PHE A 75 181.557 2.943 -3.458 1.00 0.00 C ATOM 1201 O PHE A 75 181.923 4.117 -3.379 1.00 0.00 O ATOM 1202 CB PHE A 75 181.189 1.666 -1.331 1.00 0.00 C ATOM 1203 CG PHE A 75 180.373 1.655 -0.067 1.00 0.00 C ATOM 1204 CD1 PHE A 75 179.070 1.180 -0.069 1.00 0.00 C ATOM 1205 CD2 PHE A 75 180.907 2.122 1.124 1.00 0.00 C ATOM 1206 CE1 PHE A 75 178.318 1.171 1.089 1.00 0.00 C ATOM 1207 CE2 PHE A 75 180.158 2.115 2.285 1.00 0.00 C ATOM 1208 CZ PHE A 75 178.863 1.640 2.267 1.00 0.00 C ATOM 0 H PHE A 75 179.625 0.523 -2.859 1.00 0.00 H new ATOM 0 HA PHE A 75 179.930 3.226 -2.103 1.00 0.00 H new ATOM 0 HB2 PHE A 75 181.399 0.638 -1.626 1.00 0.00 H new ATOM 0 HB3 PHE A 75 182.149 2.142 -1.130 1.00 0.00 H new ATOM 0 HD1 PHE A 75 178.638 0.812 -0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 75 181.920 2.496 1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 75 177.305 0.797 1.073 1.00 0.00 H new ATOM 0 HE2 PHE A 75 180.586 2.481 3.206 1.00 0.00 H new ATOM 0 HZ PHE A 75 178.276 1.635 3.174 1.00 0.00 H new ATOM 1218 N SER A 76 182.032 2.092 -4.371 1.00 0.00 N ATOM 1219 CA SER A 76 183.034 2.502 -5.353 1.00 0.00 C ATOM 1220 C SER A 76 182.461 3.536 -6.322 1.00 0.00 C ATOM 1221 O SER A 76 183.147 4.485 -6.704 1.00 0.00 O ATOM 1222 CB SER A 76 183.556 1.290 -6.134 1.00 0.00 C ATOM 1223 OG SER A 76 184.680 0.713 -5.492 1.00 0.00 O ATOM 0 H SER A 76 181.739 1.118 -4.449 1.00 0.00 H new ATOM 0 HA SER A 76 183.863 2.956 -4.810 1.00 0.00 H new ATOM 0 HB2 SER A 76 182.765 0.546 -6.227 1.00 0.00 H new ATOM 0 HB3 SER A 76 183.828 1.595 -7.145 1.00 0.00 H new ATOM 0 HG SER A 76 184.992 -0.059 -6.009 1.00 0.00 H new ATOM 1229 N ASN A 77 181.199 3.349 -6.716 1.00 0.00 N ATOM 1230 CA ASN A 77 180.541 4.273 -7.638 1.00 0.00 C ATOM 1231 C ASN A 77 180.249 5.608 -6.958 1.00 0.00 C ATOM 1232 O ASN A 77 180.480 6.670 -7.538 1.00 0.00 O ATOM 1233 CB ASN A 77 179.242 3.666 -8.181 1.00 0.00 C ATOM 1234 CG ASN A 77 179.459 2.886 -9.464 1.00 0.00 C ATOM 1235 OD1 ASN A 77 180.039 3.539 -10.466 1.00 0.00 O flip ATOM 1236 ND2 ASN A 77 179.109 1.709 -9.556 1.00 0.00 N flip ATOM 0 H ASN A 77 180.616 2.569 -6.412 1.00 0.00 H new ATOM 0 HA ASN A 77 181.220 4.450 -8.472 1.00 0.00 H new ATOM 0 HB2 ASN A 77 178.809 3.008 -7.428 1.00 0.00 H new ATOM 0 HB3 ASN A 77 178.520 4.462 -8.361 1.00 0.00 H new ATOM 0 HD21 ASN A 77 178.667 1.245 -8.763 1.00 0.00 H new ATOM 0 HD22 ASN A 77 179.261 1.198 -10.426 1.00 0.00 H new ATOM 1243 N CYS A 78 179.745 5.548 -5.725 1.00 0.00 N ATOM 1244 CA CYS A 78 179.427 6.757 -4.964 1.00 0.00 C ATOM 1245 C CYS A 78 180.661 7.640 -4.794 1.00 0.00 C ATOM 1246 O CYS A 78 180.556 8.865 -4.781 1.00 0.00 O ATOM 1247 CB CYS A 78 178.857 6.393 -3.591 1.00 0.00 C ATOM 1248 SG CYS A 78 177.624 7.560 -2.974 1.00 0.00 S ATOM 0 H CYS A 78 179.548 4.677 -5.232 1.00 0.00 H new ATOM 0 HA CYS A 78 178.677 7.315 -5.525 1.00 0.00 H new ATOM 0 HB2 CYS A 78 178.408 5.401 -3.647 1.00 0.00 H new ATOM 0 HB3 CYS A 78 179.676 6.332 -2.874 1.00 0.00 H new ATOM 0 HG CYS A 78 176.434 7.139 -3.286 1.00 0.00 H new ATOM 1254 N TYR A 79 181.829 7.009 -4.667 1.00 0.00 N ATOM 1255 CA TYR A 79 183.087 7.736 -4.500 1.00 0.00 C ATOM 1256 C TYR A 79 183.317 8.717 -5.652 1.00 0.00 C ATOM 1257 O TYR A 79 183.832 9.816 -5.443 1.00 0.00 O ATOM 1258 CB TYR A 79 184.255 6.749 -4.412 1.00 0.00 C ATOM 1259 CG TYR A 79 185.554 7.366 -3.936 1.00 0.00 C ATOM 1260 CD1 TYR A 79 186.463 7.902 -4.840 1.00 0.00 C ATOM 1261 CD2 TYR A 79 185.876 7.402 -2.584 1.00 0.00 C ATOM 1262 CE1 TYR A 79 187.653 8.458 -4.411 1.00 0.00 C ATOM 1263 CE2 TYR A 79 187.065 7.955 -2.148 1.00 0.00 C ATOM 1264 CZ TYR A 79 187.950 8.482 -3.065 1.00 0.00 C ATOM 1265 OH TYR A 79 189.136 9.032 -2.635 1.00 0.00 O ATOM 0 H TYR A 79 181.929 5.994 -4.677 1.00 0.00 H new ATOM 0 HA TYR A 79 183.027 8.308 -3.574 1.00 0.00 H new ATOM 0 HB2 TYR A 79 183.981 5.939 -3.736 1.00 0.00 H new ATOM 0 HB3 TYR A 79 184.415 6.304 -5.394 1.00 0.00 H new ATOM 0 HD1 TYR A 79 186.236 7.884 -5.896 1.00 0.00 H new ATOM 0 HD2 TYR A 79 185.185 6.991 -1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 79 188.347 8.872 -5.127 1.00 0.00 H new ATOM 0 HE2 TYR A 79 187.300 7.974 -1.094 1.00 0.00 H new ATOM 0 HH TYR A 79 189.190 8.970 -1.658 1.00 0.00 H new ATOM 1275 N LYS A 80 182.933 8.316 -6.865 1.00 0.00 N ATOM 1276 CA LYS A 80 183.100 9.166 -8.043 1.00 0.00 C ATOM 1277 C LYS A 80 182.215 10.411 -7.957 1.00 0.00 C ATOM 1278 O LYS A 80 182.681 11.526 -8.191 1.00 0.00 O ATOM 1279 CB LYS A 80 182.780 8.382 -9.320 1.00 0.00 C ATOM 1280 CG LYS A 80 183.092 9.144 -10.599 1.00 0.00 C ATOM 1281 CD LYS A 80 182.982 8.251 -11.826 1.00 0.00 C ATOM 1282 CE LYS A 80 183.896 8.724 -12.948 1.00 0.00 C ATOM 1283 NZ LYS A 80 184.566 7.586 -13.640 1.00 0.00 N ATOM 0 H LYS A 80 182.505 7.410 -7.056 1.00 0.00 H new ATOM 0 HA LYS A 80 184.141 9.488 -8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 80 183.346 7.450 -9.315 1.00 0.00 H new ATOM 0 HB3 LYS A 80 181.724 8.113 -9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 80 182.406 9.985 -10.698 1.00 0.00 H new ATOM 0 HG3 LYS A 80 184.098 9.559 -10.540 1.00 0.00 H new ATOM 0 HD2 LYS A 80 183.238 7.227 -11.555 1.00 0.00 H new ATOM 0 HD3 LYS A 80 181.950 8.240 -12.177 1.00 0.00 H new ATOM 0 HE2 LYS A 80 183.316 9.297 -13.671 1.00 0.00 H new ATOM 0 HE3 LYS A 80 184.651 9.396 -12.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 185.179 7.952 -14.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 185.141 7.054 -12.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 183.847 6.957 -14.051 1.00 0.00 H new ATOM 1297 N TYR A 81 180.940 10.215 -7.620 1.00 0.00 N ATOM 1298 CA TYR A 81 179.998 11.329 -7.503 1.00 0.00 C ATOM 1299 C TYR A 81 180.283 12.162 -6.250 1.00 0.00 C ATOM 1300 O TYR A 81 180.095 13.380 -6.251 1.00 0.00 O ATOM 1301 CB TYR A 81 178.556 10.809 -7.471 1.00 0.00 C ATOM 1302 CG TYR A 81 177.540 11.778 -8.038 1.00 0.00 C ATOM 1303 CD1 TYR A 81 177.144 12.902 -7.322 1.00 0.00 C ATOM 1304 CD2 TYR A 81 176.973 11.566 -9.290 1.00 0.00 C ATOM 1305 CE1 TYR A 81 176.213 13.785 -7.835 1.00 0.00 C ATOM 1306 CE2 TYR A 81 176.041 12.445 -9.809 1.00 0.00 C ATOM 1307 CZ TYR A 81 175.665 13.552 -9.079 1.00 0.00 C ATOM 1308 OH TYR A 81 174.736 14.428 -9.592 1.00 0.00 O ATOM 0 H TYR A 81 180.537 9.299 -7.424 1.00 0.00 H new ATOM 0 HA TYR A 81 180.125 11.969 -8.376 1.00 0.00 H new ATOM 0 HB2 TYR A 81 178.505 9.875 -8.031 1.00 0.00 H new ATOM 0 HB3 TYR A 81 178.287 10.578 -6.440 1.00 0.00 H new ATOM 0 HD1 TYR A 81 177.571 13.088 -6.348 1.00 0.00 H new ATOM 0 HD2 TYR A 81 177.266 10.701 -9.866 1.00 0.00 H new ATOM 0 HE1 TYR A 81 175.916 14.653 -7.265 1.00 0.00 H new ATOM 0 HE2 TYR A 81 175.609 12.265 -10.782 1.00 0.00 H new ATOM 0 HH TYR A 81 174.450 14.120 -10.477 1.00 0.00 H new ATOM 1318 N ASN A 82 180.736 11.495 -5.186 1.00 0.00 N ATOM 1319 CA ASN A 82 181.049 12.163 -3.923 1.00 0.00 C ATOM 1320 C ASN A 82 182.229 13.125 -4.085 1.00 0.00 C ATOM 1321 O ASN A 82 183.355 12.695 -4.343 1.00 0.00 O ATOM 1322 CB ASN A 82 181.371 11.124 -2.841 1.00 0.00 C ATOM 1323 CG ASN A 82 180.145 10.693 -2.054 1.00 0.00 C ATOM 1324 OD1 ASN A 82 179.044 11.203 -2.266 1.00 0.00 O ATOM 1325 ND2 ASN A 82 180.328 9.747 -1.138 1.00 0.00 N ATOM 0 H ASN A 82 180.895 10.487 -5.176 1.00 0.00 H new ATOM 0 HA ASN A 82 180.175 12.740 -3.622 1.00 0.00 H new ATOM 0 HB2 ASN A 82 181.824 10.249 -3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 82 182.110 11.538 -2.155 1.00 0.00 H new ATOM 0 HD21 ASN A 82 179.540 9.418 -0.580 1.00 0.00 H new ATOM 0 HD22 ASN A 82 181.256 9.350 -0.993 1.00 0.00 H new ATOM 1332 N PRO A 83 181.983 14.445 -3.935 1.00 0.00 N ATOM 1333 CA PRO A 83 183.030 15.475 -4.067 1.00 0.00 C ATOM 1334 C PRO A 83 184.185 15.271 -3.084 1.00 0.00 C ATOM 1335 O PRO A 83 184.081 14.478 -2.148 1.00 0.00 O ATOM 1336 CB PRO A 83 182.291 16.782 -3.756 1.00 0.00 C ATOM 1337 CG PRO A 83 180.854 16.480 -4.006 1.00 0.00 C ATOM 1338 CD PRO A 83 180.669 15.040 -3.628 1.00 0.00 C ATOM 0 HA PRO A 83 183.492 15.453 -5.054 1.00 0.00 H new ATOM 0 HB2 PRO A 83 182.455 17.093 -2.724 1.00 0.00 H new ATOM 0 HB3 PRO A 83 182.640 17.594 -4.393 1.00 0.00 H new ATOM 0 HG2 PRO A 83 180.209 17.127 -3.411 1.00 0.00 H new ATOM 0 HG3 PRO A 83 180.595 16.646 -5.052 1.00 0.00 H new ATOM 0 HD2 PRO A 83 180.412 14.929 -2.575 1.00 0.00 H new ATOM 0 HD3 PRO A 83 179.870 14.571 -4.202 1.00 0.00 H new ATOM 1346 N PRO A 84 185.308 15.991 -3.283 1.00 0.00 N ATOM 1347 CA PRO A 84 186.480 15.882 -2.406 1.00 0.00 C ATOM 1348 C PRO A 84 186.244 16.523 -1.039 1.00 0.00 C ATOM 1349 O PRO A 84 186.023 17.732 -0.941 1.00 0.00 O ATOM 1350 CB PRO A 84 187.569 16.632 -3.174 1.00 0.00 C ATOM 1351 CG PRO A 84 186.832 17.616 -4.015 1.00 0.00 C ATOM 1352 CD PRO A 84 185.523 16.964 -4.373 1.00 0.00 C ATOM 0 HA PRO A 84 186.734 14.844 -2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 84 188.260 17.131 -2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 84 188.160 15.952 -3.787 1.00 0.00 H new ATOM 0 HG2 PRO A 84 186.668 18.547 -3.472 1.00 0.00 H new ATOM 0 HG3 PRO A 84 187.401 17.866 -4.911 1.00 0.00 H new ATOM 0 HD2 PRO A 84 184.714 17.692 -4.425 1.00 0.00 H new ATOM 0 HD3 PRO A 84 185.573 16.473 -5.345 1.00 0.00 H new ATOM 1360 N ASP A 85 186.291 15.699 0.010 1.00 0.00 N ATOM 1361 CA ASP A 85 186.083 16.166 1.381 1.00 0.00 C ATOM 1362 C ASP A 85 184.684 16.762 1.554 1.00 0.00 C ATOM 1363 O ASP A 85 184.526 17.970 1.741 1.00 0.00 O ATOM 1364 CB ASP A 85 187.158 17.192 1.767 1.00 0.00 C ATOM 1365 CG ASP A 85 187.237 17.426 3.266 1.00 0.00 C ATOM 1366 OD1 ASP A 85 186.893 16.503 4.036 1.00 0.00 O ATOM 1367 OD2 ASP A 85 187.646 18.534 3.670 1.00 0.00 O ATOM 0 H ASP A 85 186.473 14.698 -0.066 1.00 0.00 H new ATOM 0 HA ASP A 85 186.166 15.307 2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 85 188.128 16.849 1.406 1.00 0.00 H new ATOM 0 HB3 ASP A 85 186.948 18.137 1.267 1.00 0.00 H new ATOM 1372 N HIS A 86 183.671 15.900 1.485 1.00 0.00 N ATOM 1373 CA HIS A 86 182.282 16.327 1.625 1.00 0.00 C ATOM 1374 C HIS A 86 181.571 15.532 2.721 1.00 0.00 C ATOM 1375 O HIS A 86 182.003 14.436 3.086 1.00 0.00 O ATOM 1376 CB HIS A 86 181.553 16.159 0.289 1.00 0.00 C ATOM 1377 CG HIS A 86 180.538 17.224 0.011 1.00 0.00 C ATOM 1378 ND1 HIS A 86 179.262 17.203 0.534 1.00 0.00 N ATOM 1379 CD2 HIS A 86 180.612 18.343 -0.749 1.00 0.00 C ATOM 1380 CE1 HIS A 86 178.595 18.261 0.108 1.00 0.00 C ATOM 1381 NE2 HIS A 86 179.392 18.969 -0.671 1.00 0.00 N ATOM 0 H HIS A 86 183.788 14.898 1.332 1.00 0.00 H new ATOM 0 HA HIS A 86 182.270 17.378 1.912 1.00 0.00 H new ATOM 0 HB2 HIS A 86 182.288 16.153 -0.516 1.00 0.00 H new ATOM 0 HB3 HIS A 86 181.058 15.188 0.276 1.00 0.00 H new ATOM 0 HD2 HIS A 86 181.470 18.680 -1.311 1.00 0.00 H new ATOM 0 HE1 HIS A 86 177.572 18.505 0.355 1.00 0.00 H new ATOM 0 HE2 HIS A 86 179.142 19.840 -1.139 1.00 0.00 H new ATOM 1390 N GLU A 87 180.477 16.094 3.240 1.00 0.00 N ATOM 1391 CA GLU A 87 179.700 15.444 4.297 1.00 0.00 C ATOM 1392 C GLU A 87 179.245 14.047 3.872 1.00 0.00 C ATOM 1393 O GLU A 87 179.334 13.095 4.650 1.00 0.00 O ATOM 1394 CB GLU A 87 178.481 16.300 4.658 1.00 0.00 C ATOM 1395 CG GLU A 87 177.889 15.977 6.023 1.00 0.00 C ATOM 1396 CD GLU A 87 178.282 16.980 7.093 1.00 0.00 C ATOM 1397 OE1 GLU A 87 179.482 17.315 7.185 1.00 0.00 O ATOM 1398 OE2 GLU A 87 177.389 17.426 7.843 1.00 0.00 O ATOM 0 H GLU A 87 180.109 16.998 2.945 1.00 0.00 H new ATOM 0 HA GLU A 87 180.343 15.342 5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 87 178.767 17.352 4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 87 177.713 16.162 3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 87 176.802 15.946 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 87 178.215 14.982 6.328 1.00 0.00 H new ATOM 1405 N VAL A 88 178.763 13.931 2.634 1.00 0.00 N ATOM 1406 CA VAL A 88 178.300 12.648 2.105 1.00 0.00 C ATOM 1407 C VAL A 88 179.452 11.651 1.979 1.00 0.00 C ATOM 1408 O VAL A 88 179.267 10.449 2.178 1.00 0.00 O ATOM 1409 CB VAL A 88 177.615 12.810 0.729 1.00 0.00 C ATOM 1410 CG1 VAL A 88 176.332 13.619 0.864 1.00 0.00 C ATOM 1411 CG2 VAL A 88 178.561 13.454 -0.281 1.00 0.00 C ATOM 0 H VAL A 88 178.683 14.709 1.980 1.00 0.00 H new ATOM 0 HA VAL A 88 177.570 12.264 2.817 1.00 0.00 H new ATOM 0 HB VAL A 88 177.357 11.818 0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 88 175.863 13.723 -0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 88 175.649 13.107 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 88 176.565 14.607 1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 88 178.054 13.556 -1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 88 178.861 14.439 0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 88 179.445 12.828 -0.403 1.00 0.00 H new ATOM 1421 N VAL A 89 180.642 12.158 1.654 1.00 0.00 N ATOM 1422 CA VAL A 89 181.824 11.312 1.508 1.00 0.00 C ATOM 1423 C VAL A 89 182.191 10.654 2.837 1.00 0.00 C ATOM 1424 O VAL A 89 182.507 9.464 2.880 1.00 0.00 O ATOM 1425 CB VAL A 89 183.035 12.112 0.986 1.00 0.00 C ATOM 1426 CG1 VAL A 89 184.205 11.183 0.695 1.00 0.00 C ATOM 1427 CG2 VAL A 89 182.657 12.910 -0.254 1.00 0.00 C ATOM 0 H VAL A 89 180.811 13.150 1.487 1.00 0.00 H new ATOM 0 HA VAL A 89 181.574 10.541 0.779 1.00 0.00 H new ATOM 0 HB VAL A 89 183.342 12.814 1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 89 185.050 11.766 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 89 184.493 10.663 1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 89 183.912 10.454 -0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 89 183.525 13.467 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 89 182.321 12.229 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 89 181.854 13.606 -0.008 1.00 0.00 H new ATOM 1437 N ALA A 90 182.140 11.434 3.919 1.00 0.00 N ATOM 1438 CA ALA A 90 182.458 10.922 5.251 1.00 0.00 C ATOM 1439 C ALA A 90 181.549 9.751 5.618 1.00 0.00 C ATOM 1440 O ALA A 90 181.985 8.793 6.257 1.00 0.00 O ATOM 1441 CB ALA A 90 182.333 12.028 6.289 1.00 0.00 C ATOM 0 H ALA A 90 181.882 12.421 3.898 1.00 0.00 H new ATOM 0 HA ALA A 90 183.488 10.565 5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 90 182.573 11.630 7.275 1.00 0.00 H new ATOM 0 HB2 ALA A 90 183.024 12.835 6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 90 181.313 12.412 6.291 1.00 0.00 H new ATOM 1447 N MET A 91 180.285 9.836 5.204 1.00 0.00 N ATOM 1448 CA MET A 91 179.312 8.784 5.483 1.00 0.00 C ATOM 1449 C MET A 91 179.666 7.495 4.739 1.00 0.00 C ATOM 1450 O MET A 91 179.476 6.399 5.265 1.00 0.00 O ATOM 1451 CB MET A 91 177.903 9.240 5.091 1.00 0.00 C ATOM 1452 CG MET A 91 177.338 10.326 5.993 1.00 0.00 C ATOM 1453 SD MET A 91 176.148 11.382 5.145 1.00 0.00 S ATOM 1454 CE MET A 91 176.458 12.952 5.947 1.00 0.00 C ATOM 0 H MET A 91 179.912 10.624 4.674 1.00 0.00 H new ATOM 0 HA MET A 91 179.337 8.582 6.554 1.00 0.00 H new ATOM 0 HB2 MET A 91 177.922 9.606 4.065 1.00 0.00 H new ATOM 0 HB3 MET A 91 177.234 8.380 5.110 1.00 0.00 H new ATOM 0 HG2 MET A 91 176.858 9.864 6.855 1.00 0.00 H new ATOM 0 HG3 MET A 91 178.155 10.939 6.374 1.00 0.00 H new ATOM 0 HE1 MET A 91 175.680 13.143 6.686 1.00 0.00 H new ATOM 0 HE2 MET A 91 177.429 12.922 6.442 1.00 0.00 H new ATOM 0 HE3 MET A 91 176.455 13.748 5.202 1.00 0.00 H new ATOM 1464 N ALA A 92 180.177 7.634 3.513 1.00 0.00 N ATOM 1465 CA ALA A 92 180.550 6.478 2.700 1.00 0.00 C ATOM 1466 C ALA A 92 181.704 5.696 3.326 1.00 0.00 C ATOM 1467 O ALA A 92 181.623 4.477 3.479 1.00 0.00 O ATOM 1468 CB ALA A 92 180.916 6.918 1.289 1.00 0.00 C ATOM 0 H ALA A 92 180.341 8.535 3.064 1.00 0.00 H new ATOM 0 HA ALA A 92 179.686 5.815 2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 92 181.191 6.046 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 92 180.061 7.414 0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 92 181.758 7.609 1.330 1.00 0.00 H new ATOM 1474 N ARG A 93 182.780 6.399 3.684 1.00 0.00 N ATOM 1475 CA ARG A 93 183.947 5.753 4.288 1.00 0.00 C ATOM 1476 C ARG A 93 183.625 5.224 5.684 1.00 0.00 C ATOM 1477 O ARG A 93 184.006 4.105 6.031 1.00 0.00 O ATOM 1478 CB ARG A 93 185.142 6.713 4.345 1.00 0.00 C ATOM 1479 CG ARG A 93 184.851 8.033 5.044 1.00 0.00 C ATOM 1480 CD ARG A 93 185.535 9.195 4.342 1.00 0.00 C ATOM 1481 NE ARG A 93 186.327 10.006 5.265 1.00 0.00 N ATOM 1482 CZ ARG A 93 187.295 10.842 4.883 1.00 0.00 C ATOM 1483 NH1 ARG A 93 187.589 10.994 3.594 1.00 0.00 N ATOM 1484 NH2 ARG A 93 187.971 11.531 5.794 1.00 0.00 N ATOM 0 H ARG A 93 182.868 7.408 3.567 1.00 0.00 H new ATOM 0 HA ARG A 93 184.216 4.907 3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 93 185.967 6.218 4.857 1.00 0.00 H new ATOM 0 HB3 ARG A 93 185.476 6.919 3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 93 183.775 8.204 5.069 1.00 0.00 H new ATOM 0 HG3 ARG A 93 185.190 7.981 6.079 1.00 0.00 H new ATOM 0 HD2 ARG A 93 186.180 8.811 3.552 1.00 0.00 H new ATOM 0 HD3 ARG A 93 184.783 9.822 3.863 1.00 0.00 H new ATOM 0 HE ARG A 93 186.128 9.928 6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 93 187.073 10.469 2.888 1.00 0.00 H new ATOM 0 HH12 ARG A 93 188.330 11.635 3.312 1.00 0.00 H new ATOM 0 HH21 ARG A 93 187.750 11.421 6.784 1.00 0.00 H new ATOM 0 HH22 ARG A 93 188.711 12.170 5.504 1.00 0.00 H new ATOM 1498 N LYS A 94 182.918 6.027 6.481 1.00 0.00 N ATOM 1499 CA LYS A 94 182.543 5.626 7.836 1.00 0.00 C ATOM 1500 C LYS A 94 181.667 4.374 7.811 1.00 0.00 C ATOM 1501 O LYS A 94 181.830 3.480 8.642 1.00 0.00 O ATOM 1502 CB LYS A 94 181.810 6.764 8.550 1.00 0.00 C ATOM 1503 CG LYS A 94 181.878 6.682 10.068 1.00 0.00 C ATOM 1504 CD LYS A 94 180.589 7.174 10.708 1.00 0.00 C ATOM 1505 CE LYS A 94 180.402 6.606 12.106 1.00 0.00 C ATOM 1506 NZ LYS A 94 180.883 7.546 13.158 1.00 0.00 N ATOM 0 H LYS A 94 182.595 6.956 6.212 1.00 0.00 H new ATOM 0 HA LYS A 94 183.457 5.398 8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 94 182.234 7.715 8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 94 180.764 6.760 8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 94 182.066 5.652 10.370 1.00 0.00 H new ATOM 0 HG3 LYS A 94 182.716 7.278 10.429 1.00 0.00 H new ATOM 0 HD2 LYS A 94 180.599 8.263 10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 94 179.742 6.891 10.084 1.00 0.00 H new ATOM 0 HE2 LYS A 94 179.347 6.387 12.270 1.00 0.00 H new ATOM 0 HE3 LYS A 94 180.941 5.662 12.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 180.738 7.121 14.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 181.896 7.736 13.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 180.352 8.438 13.096 1.00 0.00 H new ATOM 1520 N LEU A 95 180.741 4.313 6.849 1.00 0.00 N ATOM 1521 CA LEU A 95 179.846 3.165 6.713 1.00 0.00 C ATOM 1522 C LEU A 95 180.613 1.923 6.257 1.00 0.00 C ATOM 1523 O LEU A 95 180.258 0.799 6.617 1.00 0.00 O ATOM 1524 CB LEU A 95 178.716 3.474 5.725 1.00 0.00 C ATOM 1525 CG LEU A 95 177.471 4.118 6.345 1.00 0.00 C ATOM 1526 CD1 LEU A 95 176.711 4.932 5.308 1.00 0.00 C ATOM 1527 CD2 LEU A 95 176.569 3.054 6.956 1.00 0.00 C ATOM 0 H LEU A 95 180.593 5.046 6.155 1.00 0.00 H new ATOM 0 HA LEU A 95 179.412 2.964 7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 95 179.102 4.137 4.951 1.00 0.00 H new ATOM 0 HB3 LEU A 95 178.420 2.547 5.233 1.00 0.00 H new ATOM 0 HG LEU A 95 177.794 4.793 7.137 1.00 0.00 H new ATOM 0 HD11 LEU A 95 175.831 5.380 5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 95 177.357 5.719 4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 95 176.400 4.281 4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 95 175.690 3.529 7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 95 176.257 2.353 6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 95 177.114 2.517 7.733 1.00 0.00 H new ATOM 1539 N GLN A 96 181.668 2.129 5.466 1.00 0.00 N ATOM 1540 CA GLN A 96 182.483 1.021 4.971 1.00 0.00 C ATOM 1541 C GLN A 96 183.260 0.366 6.110 1.00 0.00 C ATOM 1542 O GLN A 96 183.255 -0.858 6.250 1.00 0.00 O ATOM 1543 CB GLN A 96 183.461 1.506 3.897 1.00 0.00 C ATOM 1544 CG GLN A 96 183.775 0.456 2.843 1.00 0.00 C ATOM 1545 CD GLN A 96 185.057 -0.303 3.137 1.00 0.00 C ATOM 1546 OE1 GLN A 96 186.119 0.026 2.609 1.00 0.00 O ATOM 1547 NE2 GLN A 96 184.965 -1.324 3.983 1.00 0.00 N ATOM 0 H GLN A 96 181.976 3.051 5.156 1.00 0.00 H new ATOM 0 HA GLN A 96 181.809 0.284 4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 96 183.044 2.386 3.408 1.00 0.00 H new ATOM 0 HB3 GLN A 96 184.389 1.817 4.376 1.00 0.00 H new ATOM 0 HG2 GLN A 96 182.946 -0.249 2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 96 183.858 0.938 1.869 1.00 0.00 H new ATOM 0 HE21 GLN A 96 184.064 -1.563 4.398 1.00 0.00 H new ATOM 0 HE22 GLN A 96 185.795 -1.869 4.217 1.00 0.00 H new ATOM 1556 N ASP A 97 183.934 1.190 6.914 1.00 0.00 N ATOM 1557 CA ASP A 97 184.727 0.696 8.039 1.00 0.00 C ATOM 1558 C ASP A 97 183.859 -0.057 9.045 1.00 0.00 C ATOM 1559 O ASP A 97 184.222 -1.146 9.491 1.00 0.00 O ATOM 1560 CB ASP A 97 185.450 1.855 8.734 1.00 0.00 C ATOM 1561 CG ASP A 97 186.358 1.389 9.858 1.00 0.00 C ATOM 1562 OD1 ASP A 97 187.209 0.508 9.609 1.00 0.00 O ATOM 1563 OD2 ASP A 97 186.218 1.904 10.987 1.00 0.00 O ATOM 0 H ASP A 97 183.946 2.204 6.806 1.00 0.00 H new ATOM 0 HA ASP A 97 185.466 0.000 7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 97 186.040 2.403 7.999 1.00 0.00 H new ATOM 0 HB3 ASP A 97 184.712 2.551 9.133 1.00 0.00 H new ATOM 1568 N VAL A 98 182.712 0.526 9.398 1.00 0.00 N ATOM 1569 CA VAL A 98 181.799 -0.100 10.353 1.00 0.00 C ATOM 1570 C VAL A 98 181.235 -1.412 9.805 1.00 0.00 C ATOM 1571 O VAL A 98 181.153 -2.407 10.528 1.00 0.00 O ATOM 1572 CB VAL A 98 180.637 0.839 10.748 1.00 0.00 C ATOM 1573 CG1 VAL A 98 179.804 1.224 9.535 1.00 0.00 C ATOM 1574 CG2 VAL A 98 179.769 0.190 11.818 1.00 0.00 C ATOM 0 H VAL A 98 182.395 1.426 9.038 1.00 0.00 H new ATOM 0 HA VAL A 98 182.386 -0.311 11.247 1.00 0.00 H new ATOM 0 HB VAL A 98 181.065 1.753 11.159 1.00 0.00 H new ATOM 0 HG11 VAL A 98 178.994 1.885 9.845 1.00 0.00 H new ATOM 0 HG12 VAL A 98 180.434 1.738 8.809 1.00 0.00 H new ATOM 0 HG13 VAL A 98 179.386 0.326 9.081 1.00 0.00 H new ATOM 0 HG21 VAL A 98 178.955 0.864 12.085 1.00 0.00 H new ATOM 0 HG22 VAL A 98 179.356 -0.743 11.435 1.00 0.00 H new ATOM 0 HG23 VAL A 98 180.374 -0.016 12.701 1.00 0.00 H new ATOM 1584 N PHE A 99 180.850 -1.413 8.527 1.00 0.00 N ATOM 1585 CA PHE A 99 180.302 -2.612 7.896 1.00 0.00 C ATOM 1586 C PHE A 99 181.360 -3.709 7.824 1.00 0.00 C ATOM 1587 O PHE A 99 181.113 -4.844 8.232 1.00 0.00 O ATOM 1588 CB PHE A 99 179.781 -2.296 6.491 1.00 0.00 C ATOM 1589 CG PHE A 99 178.664 -3.201 6.043 1.00 0.00 C ATOM 1590 CD1 PHE A 99 178.938 -4.392 5.386 1.00 0.00 C ATOM 1591 CD2 PHE A 99 177.342 -2.862 6.282 1.00 0.00 C ATOM 1592 CE1 PHE A 99 177.913 -5.225 4.977 1.00 0.00 C ATOM 1593 CE2 PHE A 99 176.314 -3.692 5.876 1.00 0.00 C ATOM 1594 CZ PHE A 99 176.600 -4.875 5.222 1.00 0.00 C ATOM 0 H PHE A 99 180.908 -0.601 7.913 1.00 0.00 H new ATOM 0 HA PHE A 99 179.469 -2.964 8.505 1.00 0.00 H new ATOM 0 HB2 PHE A 99 179.433 -1.263 6.466 1.00 0.00 H new ATOM 0 HB3 PHE A 99 180.605 -2.372 5.782 1.00 0.00 H new ATOM 0 HD1 PHE A 99 179.963 -4.671 5.192 1.00 0.00 H new ATOM 0 HD2 PHE A 99 177.112 -1.938 6.792 1.00 0.00 H new ATOM 0 HE1 PHE A 99 178.139 -6.149 4.466 1.00 0.00 H new ATOM 0 HE2 PHE A 99 175.288 -3.416 6.070 1.00 0.00 H new ATOM 0 HZ PHE A 99 175.798 -5.525 4.903 1.00 0.00 H new ATOM 1604 N GLU A 100 182.540 -3.361 7.308 1.00 0.00 N ATOM 1605 CA GLU A 100 183.635 -4.320 7.189 1.00 0.00 C ATOM 1606 C GLU A 100 184.017 -4.888 8.550 1.00 0.00 C ATOM 1607 O GLU A 100 184.250 -6.088 8.684 1.00 0.00 O ATOM 1608 CB GLU A 100 184.858 -3.670 6.539 1.00 0.00 C ATOM 1609 CG GLU A 100 185.515 -4.552 5.493 1.00 0.00 C ATOM 1610 CD GLU A 100 186.215 -5.749 6.106 1.00 0.00 C ATOM 1611 OE1 GLU A 100 187.340 -5.581 6.620 1.00 0.00 O ATOM 1612 OE2 GLU A 100 185.634 -6.853 6.077 1.00 0.00 O ATOM 0 H GLU A 100 182.760 -2.425 6.967 1.00 0.00 H new ATOM 0 HA GLU A 100 183.289 -5.137 6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 100 184.559 -2.729 6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 100 185.587 -3.428 7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 100 184.760 -4.898 4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 100 186.236 -3.963 4.926 1.00 0.00 H new ATOM 1619 N MET A 101 184.079 -4.016 9.556 1.00 0.00 N ATOM 1620 CA MET A 101 184.431 -4.427 10.911 1.00 0.00 C ATOM 1621 C MET A 101 183.418 -5.431 11.459 1.00 0.00 C ATOM 1622 O MET A 101 183.796 -6.469 12.003 1.00 0.00 O ATOM 1623 CB MET A 101 184.507 -3.208 11.834 1.00 0.00 C ATOM 1624 CG MET A 101 185.905 -2.624 11.968 1.00 0.00 C ATOM 1625 SD MET A 101 186.261 -2.066 13.646 1.00 0.00 S ATOM 1626 CE MET A 101 187.652 -3.108 14.080 1.00 0.00 C ATOM 0 H MET A 101 183.889 -3.019 9.456 1.00 0.00 H new ATOM 0 HA MET A 101 185.408 -4.908 10.873 1.00 0.00 H new ATOM 0 HB2 MET A 101 183.836 -2.436 11.457 1.00 0.00 H new ATOM 0 HB3 MET A 101 184.145 -3.490 12.823 1.00 0.00 H new ATOM 0 HG2 MET A 101 186.639 -3.375 11.675 1.00 0.00 H new ATOM 0 HG3 MET A 101 186.013 -1.786 11.279 1.00 0.00 H new ATOM 0 HE1 MET A 101 187.923 -2.938 15.122 1.00 0.00 H new ATOM 0 HE2 MET A 101 187.380 -4.154 13.942 1.00 0.00 H new ATOM 0 HE3 MET A 101 188.501 -2.867 13.440 1.00 0.00 H new ATOM 1636 N ARG A 102 182.129 -5.116 11.312 1.00 0.00 N ATOM 1637 CA ARG A 102 181.062 -5.994 11.794 1.00 0.00 C ATOM 1638 C ARG A 102 181.020 -7.298 10.997 1.00 0.00 C ATOM 1639 O ARG A 102 180.892 -8.379 11.572 1.00 0.00 O ATOM 1640 CB ARG A 102 179.704 -5.287 11.716 1.00 0.00 C ATOM 1641 CG ARG A 102 178.831 -5.509 12.942 1.00 0.00 C ATOM 1642 CD ARG A 102 179.102 -4.472 14.021 1.00 0.00 C ATOM 1643 NE ARG A 102 178.983 -5.031 15.368 1.00 0.00 N ATOM 1644 CZ ARG A 102 179.051 -4.306 16.488 1.00 0.00 C ATOM 1645 NH1 ARG A 102 179.227 -2.988 16.431 1.00 0.00 N ATOM 1646 NH2 ARG A 102 178.941 -4.900 17.672 1.00 0.00 N ATOM 0 H ARG A 102 181.800 -4.261 10.864 1.00 0.00 H new ATOM 0 HA ARG A 102 181.275 -6.235 12.836 1.00 0.00 H new ATOM 0 HB2 ARG A 102 179.868 -4.217 11.586 1.00 0.00 H new ATOM 0 HB3 ARG A 102 179.171 -5.638 10.832 1.00 0.00 H new ATOM 0 HG2 ARG A 102 177.781 -5.468 12.653 1.00 0.00 H new ATOM 0 HG3 ARG A 102 179.013 -6.507 13.342 1.00 0.00 H new ATOM 0 HD2 ARG A 102 180.104 -4.063 13.886 1.00 0.00 H new ATOM 0 HD3 ARG A 102 178.402 -3.644 13.910 1.00 0.00 H new ATOM 0 HE ARG A 102 178.839 -6.037 15.457 1.00 0.00 H new ATOM 0 HH11 ARG A 102 179.311 -2.523 15.527 1.00 0.00 H new ATOM 0 HH12 ARG A 102 179.278 -2.443 17.291 1.00 0.00 H new ATOM 0 HH21 ARG A 102 178.805 -5.909 17.725 1.00 0.00 H new ATOM 0 HH22 ARG A 102 178.993 -4.346 18.527 1.00 0.00 H new ATOM 1660 N PHE A 103 181.135 -7.187 9.673 1.00 0.00 N ATOM 1661 CA PHE A 103 181.118 -8.356 8.795 1.00 0.00 C ATOM 1662 C PHE A 103 182.334 -9.247 9.051 1.00 0.00 C ATOM 1663 O PHE A 103 182.219 -10.471 9.094 1.00 0.00 O ATOM 1664 CB PHE A 103 181.094 -7.919 7.328 1.00 0.00 C ATOM 1665 CG PHE A 103 180.266 -8.811 6.445 1.00 0.00 C ATOM 1666 CD1 PHE A 103 178.884 -8.818 6.544 1.00 0.00 C ATOM 1667 CD2 PHE A 103 180.871 -9.644 5.516 1.00 0.00 C ATOM 1668 CE1 PHE A 103 178.121 -9.637 5.735 1.00 0.00 C ATOM 1669 CE2 PHE A 103 180.112 -10.465 4.703 1.00 0.00 C ATOM 1670 CZ PHE A 103 178.736 -10.463 4.814 1.00 0.00 C ATOM 0 H PHE A 103 181.241 -6.298 9.185 1.00 0.00 H new ATOM 0 HA PHE A 103 180.216 -8.929 9.012 1.00 0.00 H new ATOM 0 HB2 PHE A 103 180.707 -6.902 7.267 1.00 0.00 H new ATOM 0 HB3 PHE A 103 182.116 -7.894 6.949 1.00 0.00 H new ATOM 0 HD1 PHE A 103 178.397 -8.175 7.263 1.00 0.00 H new ATOM 0 HD2 PHE A 103 181.947 -9.651 5.427 1.00 0.00 H new ATOM 0 HE1 PHE A 103 177.045 -9.632 5.822 1.00 0.00 H new ATOM 0 HE2 PHE A 103 180.595 -11.107 3.982 1.00 0.00 H new ATOM 0 HZ PHE A 103 178.141 -11.106 4.182 1.00 0.00 H new ATOM 1680 N ALA A 104 183.498 -8.619 9.222 1.00 0.00 N ATOM 1681 CA ALA A 104 184.738 -9.345 9.477 1.00 0.00 C ATOM 1682 C ALA A 104 184.708 -10.025 10.842 1.00 0.00 C ATOM 1683 O ALA A 104 185.267 -11.104 11.010 1.00 0.00 O ATOM 1684 CB ALA A 104 185.935 -8.408 9.379 1.00 0.00 C ATOM 0 H ALA A 104 183.606 -7.605 9.188 1.00 0.00 H new ATOM 0 HA ALA A 104 184.835 -10.119 8.716 1.00 0.00 H new ATOM 0 HB1 ALA A 104 186.851 -8.966 9.572 1.00 0.00 H new ATOM 0 HB2 ALA A 104 185.978 -7.975 8.379 1.00 0.00 H new ATOM 0 HB3 ALA A 104 185.834 -7.611 10.115 1.00 0.00 H new ATOM 1690 N LYS A 105 184.052 -9.387 11.815 1.00 0.00 N ATOM 1691 CA LYS A 105 183.954 -9.942 13.165 1.00 0.00 C ATOM 1692 C LYS A 105 183.049 -11.175 13.191 1.00 0.00 C ATOM 1693 O LYS A 105 183.387 -12.184 13.810 1.00 0.00 O ATOM 1694 CB LYS A 105 183.425 -8.888 14.145 1.00 0.00 C ATOM 1695 CG LYS A 105 184.464 -8.412 15.148 1.00 0.00 C ATOM 1696 CD LYS A 105 185.181 -7.164 14.657 1.00 0.00 C ATOM 1697 CE LYS A 105 185.771 -6.366 15.811 1.00 0.00 C ATOM 1698 NZ LYS A 105 184.768 -5.455 16.434 1.00 0.00 N ATOM 0 H LYS A 105 183.583 -8.489 11.693 1.00 0.00 H new ATOM 0 HA LYS A 105 184.956 -10.242 13.472 1.00 0.00 H new ATOM 0 HB2 LYS A 105 183.058 -8.031 13.580 1.00 0.00 H new ATOM 0 HB3 LYS A 105 182.574 -9.302 14.685 1.00 0.00 H new ATOM 0 HG2 LYS A 105 183.981 -8.204 16.103 1.00 0.00 H new ATOM 0 HG3 LYS A 105 185.191 -9.205 15.325 1.00 0.00 H new ATOM 0 HD2 LYS A 105 185.975 -7.448 13.967 1.00 0.00 H new ATOM 0 HD3 LYS A 105 184.483 -6.538 14.100 1.00 0.00 H new ATOM 0 HE2 LYS A 105 186.156 -7.052 16.566 1.00 0.00 H new ATOM 0 HE3 LYS A 105 186.617 -5.781 15.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 185.212 -4.931 17.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 184.419 -4.783 15.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 183.972 -6.014 16.801 1.00 0.00 H new ATOM 1712 N MET A 106 181.898 -11.088 12.519 1.00 0.00 N ATOM 1713 CA MET A 106 180.951 -12.203 12.474 1.00 0.00 C ATOM 1714 C MET A 106 181.509 -13.375 11.662 1.00 0.00 C ATOM 1715 O MET A 106 181.234 -14.536 11.969 1.00 0.00 O ATOM 1716 CB MET A 106 179.597 -11.753 11.906 1.00 0.00 C ATOM 1717 CG MET A 106 179.649 -11.266 10.463 1.00 0.00 C ATOM 1718 SD MET A 106 178.238 -11.827 9.490 1.00 0.00 S ATOM 1719 CE MET A 106 178.570 -13.585 9.397 1.00 0.00 C ATOM 0 H MET A 106 181.601 -10.261 12.001 1.00 0.00 H new ATOM 0 HA MET A 106 180.798 -12.544 13.498 1.00 0.00 H new ATOM 0 HB2 MET A 106 178.895 -12.585 11.971 1.00 0.00 H new ATOM 0 HB3 MET A 106 179.202 -10.953 12.532 1.00 0.00 H new ATOM 0 HG2 MET A 106 179.683 -10.177 10.452 1.00 0.00 H new ATOM 0 HG3 MET A 106 180.570 -11.618 9.998 1.00 0.00 H new ATOM 0 HE1 MET A 106 178.119 -13.993 8.492 1.00 0.00 H new ATOM 0 HE2 MET A 106 179.647 -13.751 9.373 1.00 0.00 H new ATOM 0 HE3 MET A 106 178.146 -14.082 10.269 1.00 0.00 H new ATOM 1729 N LEU A 107 182.293 -13.067 10.628 1.00 0.00 N ATOM 1730 CA LEU A 107 182.887 -14.100 9.781 1.00 0.00 C ATOM 1731 C LEU A 107 184.192 -14.618 10.381 1.00 0.00 C ATOM 1732 O LEU A 107 184.453 -15.821 10.366 1.00 0.00 O ATOM 1733 CB LEU A 107 183.138 -13.558 8.371 1.00 0.00 C ATOM 1734 CG LEU A 107 182.142 -14.031 7.306 1.00 0.00 C ATOM 1735 CD1 LEU A 107 181.771 -12.885 6.375 1.00 0.00 C ATOM 1736 CD2 LEU A 107 182.717 -15.201 6.519 1.00 0.00 C ATOM 0 H LEU A 107 182.531 -12.113 10.358 1.00 0.00 H new ATOM 0 HA LEU A 107 182.183 -14.930 9.722 1.00 0.00 H new ATOM 0 HB2 LEU A 107 183.117 -12.469 8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 107 184.142 -13.847 8.061 1.00 0.00 H new ATOM 0 HG LEU A 107 181.236 -14.370 7.808 1.00 0.00 H new ATOM 0 HD11 LEU A 107 181.063 -13.240 5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 107 181.316 -12.080 6.952 1.00 0.00 H new ATOM 0 HD13 LEU A 107 182.668 -12.514 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 107 181.996 -15.523 5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 107 183.639 -14.891 6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 107 182.928 -16.027 7.198 1.00 0.00 H new ATOM 1748 N GLN A 108 185.011 -13.706 10.904 1.00 0.00 N ATOM 1749 CA GLN A 108 186.289 -14.078 11.505 1.00 0.00 C ATOM 1750 C GLN A 108 186.433 -13.479 12.906 1.00 0.00 C ATOM 1751 O GLN A 108 186.774 -12.281 13.014 1.00 0.00 O ATOM 1752 CB GLN A 108 187.445 -13.627 10.607 1.00 0.00 C ATOM 1753 CG GLN A 108 188.465 -14.720 10.330 1.00 0.00 C ATOM 1754 CD GLN A 108 189.709 -14.604 11.193 1.00 0.00 C ATOM 1755 OE1 GLN A 108 189.791 -13.751 12.077 1.00 0.00 O ATOM 1756 NE2 GLN A 108 190.691 -15.464 10.940 1.00 0.00 N ATOM 0 H GLN A 108 184.812 -12.706 10.923 1.00 0.00 H new ATOM 0 HA GLN A 108 186.319 -15.163 11.600 1.00 0.00 H new ATOM 0 HB2 GLN A 108 187.040 -13.271 9.660 1.00 0.00 H new ATOM 0 HB3 GLN A 108 187.949 -12.782 11.076 1.00 0.00 H new ATOM 0 HG2 GLN A 108 188.002 -15.692 10.499 1.00 0.00 H new ATOM 0 HG3 GLN A 108 188.754 -14.682 9.280 1.00 0.00 H new ATOM 0 HE21 GLN A 108 190.584 -16.156 10.199 1.00 0.00 H new ATOM 0 HE22 GLN A 108 191.551 -15.431 11.487 1.00 0.00 H new