USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 744 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 57 GLN : amide:sc= -0.48 K(o=-0.48,f=-3.7!) USER MOD Set 1.2: A 90 GLN : amide:sc= 0 X(o=-0.48,f=-0.95) USER MOD Set 2.1: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.00164 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -166:sc=-0.00701 (180deg=-0.123) USER MOD Single : A 7 LYS NZ :NH3+ -156:sc= -0.111 (180deg=-0.746) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.356 K(o=-0.36,f=-2!) USER MOD Single : A 17 HIS : no HE2:sc= -1.73 K(o=-1.7,f=-3.5!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.109 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0485) USER MOD Single : A 37 HIS : no HD1:sc= -0.115 X(o=-0.11,f=-0.38) USER MOD Single : A 38 THR OG1 : rot -40:sc= -0.829 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0575 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 76:sc= 0.221 USER MOD Single : A 51 GLN : amide:sc= -2.77! C(o=-2.8!,f=-4.6!) USER MOD Single : A 54 SER OG : rot -170:sc= -1.28 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.0354 K(o=-0.035,f=-1.4) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -48:sc= 1.01 USER MOD Single : A 72 THR OG1 : rot -170:sc= -0.172 USER MOD Single : A 75 GLN : amide:sc= -0.0666 K(o=-0.067,f=-1.8!) USER MOD Single : A 78 MET CE :methyl 166:sc= -2.93! (180deg=-3.69!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.708 K(o=-0.71,f=-1.4) USER MOD Single : A 89 GLN : amide:sc=-0.00908 K(o=-0.0091,f=-1.3) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.235 -16.980 -6.762 1.00 0.00 N ATOM 2 CA MET A 1 16.191 -16.038 -7.149 1.00 0.00 C ATOM 3 C MET A 1 16.726 -14.609 -7.161 1.00 0.00 C ATOM 4 O MET A 1 17.491 -14.216 -6.281 1.00 0.00 O ATOM 5 CB MET A 1 15.001 -16.142 -6.193 1.00 0.00 C ATOM 6 CG MET A 1 13.691 -15.667 -6.800 1.00 0.00 C ATOM 7 SD MET A 1 12.298 -15.841 -5.669 1.00 0.00 S ATOM 8 CE MET A 1 11.225 -16.917 -6.616 1.00 0.00 C ATOM 0 H1 MET A 1 16.799 -17.839 -6.370 1.00 0.00 H new ATOM 0 H2 MET A 1 17.804 -17.230 -7.596 1.00 0.00 H new ATOM 0 H3 MET A 1 17.847 -16.544 -6.043 1.00 0.00 H new ATOM 0 HA MET A 1 15.861 -16.292 -8.156 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.890 -17.179 -5.875 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.211 -15.555 -5.299 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.788 -14.621 -7.092 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.489 -16.234 -7.709 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.317 -17.118 -6.047 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.964 -16.434 -7.557 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.740 -17.856 -6.821 1.00 0.00 H new ATOM 18 N ALA A 2 16.317 -13.838 -8.163 1.00 0.00 N ATOM 19 CA ALA A 2 16.754 -12.453 -8.287 1.00 0.00 C ATOM 20 C ALA A 2 16.139 -11.583 -7.196 1.00 0.00 C ATOM 21 O ALA A 2 15.300 -12.043 -6.422 1.00 0.00 O ATOM 22 CB ALA A 2 16.397 -11.908 -9.663 1.00 0.00 C ATOM 0 H ALA A 2 15.684 -14.149 -8.900 1.00 0.00 H new ATOM 0 HA ALA A 2 17.837 -12.428 -8.168 1.00 0.00 H new ATOM 0 HB1 ALA A 2 16.729 -10.873 -9.742 1.00 0.00 H new ATOM 0 HB2 ALA A 2 16.889 -12.506 -10.430 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.317 -11.954 -9.804 1.00 0.00 H new ATOM 28 N ASP A 3 16.563 -10.325 -7.140 1.00 0.00 N ATOM 29 CA ASP A 3 16.053 -9.391 -6.143 1.00 0.00 C ATOM 30 C ASP A 3 16.422 -7.955 -6.505 1.00 0.00 C ATOM 31 O ASP A 3 17.567 -7.668 -6.853 1.00 0.00 O ATOM 32 CB ASP A 3 16.604 -9.738 -4.759 1.00 0.00 C ATOM 33 CG ASP A 3 18.047 -10.198 -4.809 1.00 0.00 C ATOM 34 OD1 ASP A 3 18.284 -11.368 -5.176 1.00 0.00 O ATOM 35 OD2 ASP A 3 18.940 -9.389 -4.479 1.00 0.00 O ATOM 0 H ASP A 3 17.258 -9.929 -7.773 1.00 0.00 H new ATOM 0 HA ASP A 3 14.966 -9.475 -6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 3 16.526 -8.865 -4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 3 15.991 -10.521 -4.313 1.00 0.00 H new ATOM 40 N GLU A 4 15.444 -7.059 -6.422 1.00 0.00 N ATOM 41 CA GLU A 4 15.666 -5.654 -6.743 1.00 0.00 C ATOM 42 C GLU A 4 16.002 -4.855 -5.487 1.00 0.00 C ATOM 43 O GLU A 4 15.756 -5.305 -4.367 1.00 0.00 O ATOM 44 CB GLU A 4 14.430 -5.061 -7.423 1.00 0.00 C ATOM 45 CG GLU A 4 14.405 -5.268 -8.928 1.00 0.00 C ATOM 46 CD GLU A 4 13.891 -6.640 -9.319 1.00 0.00 C ATOM 47 OE1 GLU A 4 13.021 -7.175 -8.601 1.00 0.00 O ATOM 48 OE2 GLU A 4 14.359 -7.178 -10.345 1.00 0.00 O ATOM 0 H GLU A 4 14.491 -7.281 -6.135 1.00 0.00 H new ATOM 0 HA GLU A 4 16.512 -5.594 -7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.536 -5.509 -6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.386 -3.993 -7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.776 -4.504 -9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.411 -5.134 -9.326 1.00 0.00 H new ATOM 55 N LYS A 5 16.566 -3.668 -5.680 1.00 0.00 N ATOM 56 CA LYS A 5 16.935 -2.805 -4.565 1.00 0.00 C ATOM 57 C LYS A 5 16.728 -1.336 -4.922 1.00 0.00 C ATOM 58 O LYS A 5 17.679 -0.576 -5.102 1.00 0.00 O ATOM 59 CB LYS A 5 18.394 -3.043 -4.170 1.00 0.00 C ATOM 60 CG LYS A 5 18.730 -4.507 -3.939 1.00 0.00 C ATOM 61 CD LYS A 5 20.191 -4.691 -3.565 1.00 0.00 C ATOM 62 CE LYS A 5 21.079 -4.748 -4.799 1.00 0.00 C ATOM 63 NZ LYS A 5 20.931 -6.038 -5.529 1.00 0.00 N ATOM 0 H LYS A 5 16.778 -3.281 -6.600 1.00 0.00 H new ATOM 0 HA LYS A 5 16.291 -3.050 -3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 5 19.043 -2.649 -4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 5 18.612 -2.481 -3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.097 -4.906 -3.146 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.509 -5.079 -4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 5 20.510 -3.869 -2.924 1.00 0.00 H new ATOM 0 HD3 LYS A 5 20.307 -5.609 -2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 5 20.828 -3.923 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 5 22.120 -4.615 -4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 21.707 -6.141 -6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.961 -6.826 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.021 -6.049 -6.033 1.00 0.00 H new ATOM 77 N PRO A 6 15.455 -0.925 -5.025 1.00 0.00 N ATOM 78 CA PRO A 6 15.094 0.455 -5.359 1.00 0.00 C ATOM 79 C PRO A 6 15.419 1.429 -4.231 1.00 0.00 C ATOM 80 O PRO A 6 14.924 1.288 -3.113 1.00 0.00 O ATOM 81 CB PRO A 6 13.581 0.382 -5.582 1.00 0.00 C ATOM 82 CG PRO A 6 13.136 -0.791 -4.780 1.00 0.00 C ATOM 83 CD PRO A 6 14.271 -1.777 -4.824 1.00 0.00 C ATOM 0 HA PRO A 6 15.649 0.824 -6.222 1.00 0.00 H new ATOM 0 HB2 PRO A 6 13.088 1.297 -5.253 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.342 0.253 -6.638 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.912 -0.500 -3.754 1.00 0.00 H new ATOM 0 HG3 PRO A 6 12.226 -1.225 -5.195 1.00 0.00 H new ATOM 0 HD2 PRO A 6 14.341 -2.351 -3.900 1.00 0.00 H new ATOM 0 HD3 PRO A 6 14.149 -2.494 -5.636 1.00 0.00 H new ATOM 91 N LYS A 7 16.255 2.417 -4.532 1.00 0.00 N ATOM 92 CA LYS A 7 16.646 3.416 -3.544 1.00 0.00 C ATOM 93 C LYS A 7 16.321 4.823 -4.036 1.00 0.00 C ATOM 94 O LYS A 7 15.939 5.691 -3.251 1.00 0.00 O ATOM 95 CB LYS A 7 18.141 3.303 -3.239 1.00 0.00 C ATOM 96 CG LYS A 7 19.020 3.344 -4.477 1.00 0.00 C ATOM 97 CD LYS A 7 20.481 3.111 -4.132 1.00 0.00 C ATOM 98 CE LYS A 7 21.127 4.366 -3.566 1.00 0.00 C ATOM 99 NZ LYS A 7 21.082 5.498 -4.533 1.00 0.00 N ATOM 0 H LYS A 7 16.675 2.547 -5.452 1.00 0.00 H new ATOM 0 HA LYS A 7 16.080 3.230 -2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 7 18.429 4.115 -2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.325 2.371 -2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 7 18.687 2.586 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.911 4.310 -4.970 1.00 0.00 H new ATOM 0 HD2 LYS A 7 20.560 2.301 -3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 7 21.021 2.794 -5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.617 4.654 -2.646 1.00 0.00 H new ATOM 0 HE3 LYS A 7 22.163 4.154 -3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 21.844 6.171 -4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 21.207 5.134 -5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 20.163 5.980 -4.461 1.00 0.00 H new ATOM 113 N GLU A 8 16.475 5.041 -5.338 1.00 0.00 N ATOM 114 CA GLU A 8 16.198 6.343 -5.933 1.00 0.00 C ATOM 115 C GLU A 8 14.697 6.548 -6.116 1.00 0.00 C ATOM 116 O GLU A 8 13.916 5.600 -6.045 1.00 0.00 O ATOM 117 CB GLU A 8 16.910 6.475 -7.280 1.00 0.00 C ATOM 118 CG GLU A 8 16.304 5.616 -8.376 1.00 0.00 C ATOM 119 CD GLU A 8 17.027 5.764 -9.701 1.00 0.00 C ATOM 120 OE1 GLU A 8 17.326 6.913 -10.089 1.00 0.00 O ATOM 121 OE2 GLU A 8 17.293 4.731 -10.350 1.00 0.00 O ATOM 0 H GLU A 8 16.790 4.333 -6.001 1.00 0.00 H new ATOM 0 HA GLU A 8 16.573 7.111 -5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.886 7.519 -7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 8 17.958 6.204 -7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.328 4.571 -8.068 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.256 5.886 -8.506 1.00 0.00 H new ATOM 128 N GLY A 9 14.300 7.795 -6.352 1.00 0.00 N ATOM 129 CA GLY A 9 12.895 8.104 -6.541 1.00 0.00 C ATOM 130 C GLY A 9 12.529 9.480 -6.023 1.00 0.00 C ATOM 131 O GLY A 9 12.218 9.645 -4.844 1.00 0.00 O ATOM 0 H GLY A 9 14.927 8.597 -6.416 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.652 8.042 -7.602 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.290 7.354 -6.031 1.00 0.00 H new ATOM 135 N VAL A 10 12.566 10.473 -6.907 1.00 0.00 N ATOM 136 CA VAL A 10 12.236 11.842 -6.533 1.00 0.00 C ATOM 137 C VAL A 10 11.640 12.606 -7.710 1.00 0.00 C ATOM 138 O VAL A 10 12.100 12.476 -8.845 1.00 0.00 O ATOM 139 CB VAL A 10 13.476 12.598 -6.019 1.00 0.00 C ATOM 140 CG1 VAL A 10 13.118 14.034 -5.666 1.00 0.00 C ATOM 141 CG2 VAL A 10 14.078 11.880 -4.821 1.00 0.00 C ATOM 0 H VAL A 10 12.821 10.354 -7.887 1.00 0.00 H new ATOM 0 HA VAL A 10 11.499 11.782 -5.733 1.00 0.00 H new ATOM 0 HB VAL A 10 14.222 12.620 -6.813 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.006 14.552 -5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.736 14.542 -6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.354 14.038 -4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.953 12.428 -4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.340 11.825 -4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 10 14.373 10.872 -5.112 1.00 0.00 H new ATOM 151 N LYS A 11 10.615 13.404 -7.434 1.00 0.00 N ATOM 152 CA LYS A 11 9.956 14.191 -8.469 1.00 0.00 C ATOM 153 C LYS A 11 9.107 15.299 -7.853 1.00 0.00 C ATOM 154 O LYS A 11 8.795 15.267 -6.662 1.00 0.00 O ATOM 155 CB LYS A 11 9.080 13.290 -9.344 1.00 0.00 C ATOM 156 CG LYS A 11 9.058 13.699 -10.806 1.00 0.00 C ATOM 157 CD LYS A 11 10.401 13.456 -11.474 1.00 0.00 C ATOM 158 CE LYS A 11 10.663 14.464 -12.582 1.00 0.00 C ATOM 159 NZ LYS A 11 11.954 14.201 -13.277 1.00 0.00 N ATOM 0 H LYS A 11 10.222 13.523 -6.500 1.00 0.00 H new ATOM 0 HA LYS A 11 10.727 14.650 -9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.439 12.264 -9.268 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.061 13.301 -8.957 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.284 13.139 -11.330 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.797 14.754 -10.886 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.195 13.517 -10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.427 12.447 -11.885 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.848 14.429 -13.305 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.675 15.470 -12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.096 14.909 -14.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.735 14.259 -12.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.934 13.251 -13.699 1.00 0.00 H new ATOM 173 N THR A 12 8.736 16.278 -8.672 1.00 0.00 N ATOM 174 CA THR A 12 7.924 17.396 -8.207 1.00 0.00 C ATOM 175 C THR A 12 6.831 17.736 -9.214 1.00 0.00 C ATOM 176 O THR A 12 7.073 17.769 -10.419 1.00 0.00 O ATOM 177 CB THR A 12 8.783 18.649 -7.956 1.00 0.00 C ATOM 178 OG1 THR A 12 9.355 19.105 -9.187 1.00 0.00 O ATOM 179 CG2 THR A 12 9.890 18.355 -6.955 1.00 0.00 C ATOM 0 H THR A 12 8.985 16.319 -9.660 1.00 0.00 H new ATOM 0 HA THR A 12 7.466 17.085 -7.268 1.00 0.00 H new ATOM 0 HB THR A 12 8.140 19.427 -7.544 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.898 19.903 -9.019 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.483 19.255 -6.794 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.451 18.036 -6.010 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.530 17.563 -7.343 1.00 0.00 H new ATOM 187 N GLU A 13 5.627 17.991 -8.710 1.00 0.00 N ATOM 188 CA GLU A 13 4.497 18.329 -9.567 1.00 0.00 C ATOM 189 C GLU A 13 3.600 19.368 -8.900 1.00 0.00 C ATOM 190 O GLU A 13 3.954 19.939 -7.869 1.00 0.00 O ATOM 191 CB GLU A 13 3.684 17.075 -9.896 1.00 0.00 C ATOM 192 CG GLU A 13 4.523 15.933 -10.444 1.00 0.00 C ATOM 193 CD GLU A 13 5.088 15.047 -9.351 1.00 0.00 C ATOM 194 OE1 GLU A 13 4.289 14.443 -8.606 1.00 0.00 O ATOM 195 OE2 GLU A 13 6.329 14.957 -9.241 1.00 0.00 O ATOM 0 H GLU A 13 5.410 17.970 -7.714 1.00 0.00 H new ATOM 0 HA GLU A 13 4.890 18.752 -10.492 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.171 16.738 -8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.915 17.332 -10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.913 15.330 -11.117 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.342 16.341 -11.036 1.00 0.00 H new ATOM 202 N ASN A 14 2.437 19.608 -9.497 1.00 0.00 N ATOM 203 CA ASN A 14 1.490 20.580 -8.962 1.00 0.00 C ATOM 204 C ASN A 14 0.479 19.903 -8.041 1.00 0.00 C ATOM 205 O ASN A 14 -0.400 20.557 -7.480 1.00 0.00 O ATOM 206 CB ASN A 14 0.760 21.293 -10.102 1.00 0.00 C ATOM 207 CG ASN A 14 0.225 22.649 -9.687 1.00 0.00 C ATOM 208 OD1 ASN A 14 -0.975 22.815 -9.467 1.00 0.00 O ATOM 209 ND2 ASN A 14 1.115 23.629 -9.578 1.00 0.00 N ATOM 0 H ASN A 14 2.128 19.143 -10.351 1.00 0.00 H new ATOM 0 HA ASN A 14 2.049 21.314 -8.382 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.440 21.416 -10.945 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.065 20.670 -10.447 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.813 24.564 -9.302 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.100 23.447 -9.770 1.00 0.00 H new ATOM 216 N ASN A 15 0.611 18.589 -7.890 1.00 0.00 N ATOM 217 CA ASN A 15 -0.291 17.824 -7.037 1.00 0.00 C ATOM 218 C ASN A 15 0.357 17.527 -5.688 1.00 0.00 C ATOM 219 O ASN A 15 1.445 18.020 -5.388 1.00 0.00 O ATOM 220 CB ASN A 15 -0.688 16.515 -7.723 1.00 0.00 C ATOM 221 CG ASN A 15 -1.386 16.747 -9.050 1.00 0.00 C ATOM 222 OD1 ASN A 15 -0.893 17.485 -9.903 1.00 0.00 O ATOM 223 ND2 ASN A 15 -2.540 16.115 -9.229 1.00 0.00 N ATOM 0 H ASN A 15 1.333 18.032 -8.347 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.185 18.424 -6.867 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.203 15.908 -7.885 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.345 15.947 -7.064 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.055 16.232 -10.101 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.911 15.513 -8.494 1.00 0.00 H new ATOM 230 N ASP A 16 -0.318 16.718 -4.879 1.00 0.00 N ATOM 231 CA ASP A 16 0.193 16.354 -3.562 1.00 0.00 C ATOM 232 C ASP A 16 1.098 15.129 -3.650 1.00 0.00 C ATOM 233 O ASP A 16 0.991 14.330 -4.581 1.00 0.00 O ATOM 234 CB ASP A 16 -0.965 16.079 -2.601 1.00 0.00 C ATOM 235 CG ASP A 16 -1.394 17.320 -1.843 1.00 0.00 C ATOM 236 OD1 ASP A 16 -0.831 17.577 -0.758 1.00 0.00 O ATOM 237 OD2 ASP A 16 -2.294 18.034 -2.333 1.00 0.00 O ATOM 0 H ASP A 16 -1.220 16.302 -5.112 1.00 0.00 H new ATOM 0 HA ASP A 16 0.780 17.191 -3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.814 15.687 -3.162 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.669 15.307 -1.891 1.00 0.00 H new ATOM 242 N HIS A 17 1.991 14.988 -2.675 1.00 0.00 N ATOM 243 CA HIS A 17 2.916 13.861 -2.643 1.00 0.00 C ATOM 244 C HIS A 17 3.165 13.404 -1.209 1.00 0.00 C ATOM 245 O HIS A 17 4.027 13.945 -0.516 1.00 0.00 O ATOM 246 CB HIS A 17 4.240 14.241 -3.307 1.00 0.00 C ATOM 247 CG HIS A 17 4.079 15.147 -4.489 1.00 0.00 C ATOM 248 ND1 HIS A 17 4.448 16.475 -4.475 1.00 0.00 N ATOM 249 CD2 HIS A 17 3.586 14.908 -5.727 1.00 0.00 C ATOM 250 CE1 HIS A 17 4.188 17.015 -5.652 1.00 0.00 C ATOM 251 NE2 HIS A 17 3.665 16.085 -6.430 1.00 0.00 N ATOM 0 H HIS A 17 2.093 15.640 -1.897 1.00 0.00 H new ATOM 0 HA HIS A 17 2.465 13.037 -3.196 1.00 0.00 H new ATOM 0 HB2 HIS A 17 4.880 14.728 -2.571 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.752 13.332 -3.623 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.858 16.964 -3.680 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.202 13.967 -6.093 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.372 18.042 -5.931 1.00 0.00 H new ATOM 259 N ILE A 18 2.406 12.406 -0.771 1.00 0.00 N ATOM 260 CA ILE A 18 2.545 11.876 0.580 1.00 0.00 C ATOM 261 C ILE A 18 3.407 10.618 0.591 1.00 0.00 C ATOM 262 O ILE A 18 4.018 10.264 -0.415 1.00 0.00 O ATOM 263 CB ILE A 18 1.174 11.551 1.202 1.00 0.00 C ATOM 264 CG1 ILE A 18 0.569 10.313 0.537 1.00 0.00 C ATOM 265 CG2 ILE A 18 0.236 12.742 1.068 1.00 0.00 C ATOM 266 CD1 ILE A 18 -0.799 9.948 1.070 1.00 0.00 C ATOM 0 H ILE A 18 1.688 11.948 -1.332 1.00 0.00 H new ATOM 0 HA ILE A 18 3.029 12.651 1.174 1.00 0.00 H new ATOM 0 HB ILE A 18 1.313 11.340 2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.497 10.486 -0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.243 9.468 0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.729 12.497 1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.664 13.602 1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.100 12.981 0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.166 9.061 0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.730 9.743 2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.487 10.776 0.903 1.00 0.00 H new ATOM 278 N ASN A 19 3.449 9.947 1.738 1.00 0.00 N ATOM 279 CA ASN A 19 4.235 8.727 1.880 1.00 0.00 C ATOM 280 C ASN A 19 3.433 7.643 2.594 1.00 0.00 C ATOM 281 O ASN A 19 2.712 7.920 3.554 1.00 0.00 O ATOM 282 CB ASN A 19 5.525 9.014 2.651 1.00 0.00 C ATOM 283 CG ASN A 19 6.693 8.183 2.155 1.00 0.00 C ATOM 284 OD1 ASN A 19 7.562 8.680 1.438 1.00 0.00 O ATOM 285 ND2 ASN A 19 6.717 6.911 2.534 1.00 0.00 N ATOM 0 H ASN A 19 2.949 10.227 2.581 1.00 0.00 H new ATOM 0 HA ASN A 19 4.488 8.369 0.882 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.771 10.072 2.561 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.364 8.814 3.710 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.477 6.303 2.230 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.975 6.542 3.129 1.00 0.00 H new ATOM 292 N LEU A 20 3.564 6.409 2.120 1.00 0.00 N ATOM 293 CA LEU A 20 2.852 5.282 2.713 1.00 0.00 C ATOM 294 C LEU A 20 3.765 4.067 2.840 1.00 0.00 C ATOM 295 O LEU A 20 4.750 3.938 2.112 1.00 0.00 O ATOM 296 CB LEU A 20 1.626 4.928 1.870 1.00 0.00 C ATOM 297 CG LEU A 20 0.307 5.572 2.299 1.00 0.00 C ATOM 298 CD1 LEU A 20 -0.010 5.227 3.746 1.00 0.00 C ATOM 299 CD2 LEU A 20 0.364 7.081 2.108 1.00 0.00 C ATOM 0 H LEU A 20 4.156 6.163 1.327 1.00 0.00 H new ATOM 0 HA LEU A 20 2.527 5.574 3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.826 5.212 0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.500 3.845 1.885 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.490 5.176 1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.952 5.694 4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.094 4.145 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.788 5.594 4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.583 7.523 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.172 7.494 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.543 7.308 1.057 1.00 0.00 H new ATOM 311 N LYS A 21 3.431 3.177 3.768 1.00 0.00 N ATOM 312 CA LYS A 21 4.218 1.969 3.989 1.00 0.00 C ATOM 313 C LYS A 21 3.312 0.762 4.208 1.00 0.00 C ATOM 314 O LYS A 21 2.634 0.659 5.230 1.00 0.00 O ATOM 315 CB LYS A 21 5.142 2.152 5.195 1.00 0.00 C ATOM 316 CG LYS A 21 6.438 2.872 4.865 1.00 0.00 C ATOM 317 CD LYS A 21 7.075 3.472 6.107 1.00 0.00 C ATOM 318 CE LYS A 21 7.657 2.395 7.010 1.00 0.00 C ATOM 319 NZ LYS A 21 9.094 2.141 6.714 1.00 0.00 N ATOM 0 H LYS A 21 2.620 3.269 4.380 1.00 0.00 H new ATOM 0 HA LYS A 21 4.822 1.791 3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.612 2.711 5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.376 1.174 5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.134 2.175 4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.242 3.661 4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.862 4.167 5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.330 4.047 6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.548 2.697 8.052 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.092 1.472 6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.454 1.401 7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.195 1.829 5.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.638 3.016 6.858 1.00 0.00 H new ATOM 333 N VAL A 22 3.306 -0.150 3.241 1.00 0.00 N ATOM 334 CA VAL A 22 2.485 -1.352 3.329 1.00 0.00 C ATOM 335 C VAL A 22 3.257 -2.499 3.971 1.00 0.00 C ATOM 336 O VAL A 22 4.156 -3.075 3.358 1.00 0.00 O ATOM 337 CB VAL A 22 1.988 -1.796 1.941 1.00 0.00 C ATOM 338 CG1 VAL A 22 1.042 -2.980 2.065 1.00 0.00 C ATOM 339 CG2 VAL A 22 1.313 -0.637 1.222 1.00 0.00 C ATOM 0 H VAL A 22 3.860 -0.079 2.388 1.00 0.00 H new ATOM 0 HA VAL A 22 1.626 -1.103 3.951 1.00 0.00 H new ATOM 0 HB VAL A 22 2.848 -2.110 1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.702 -3.279 1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.562 -3.814 2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.183 -2.697 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.968 -0.968 0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.462 -0.291 1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.025 0.179 1.099 1.00 0.00 H new ATOM 349 N ALA A 23 2.900 -2.827 5.208 1.00 0.00 N ATOM 350 CA ALA A 23 3.558 -3.907 5.933 1.00 0.00 C ATOM 351 C ALA A 23 2.548 -4.949 6.401 1.00 0.00 C ATOM 352 O ALA A 23 1.412 -4.618 6.738 1.00 0.00 O ATOM 353 CB ALA A 23 4.335 -3.352 7.117 1.00 0.00 C ATOM 0 H ALA A 23 2.158 -2.360 5.730 1.00 0.00 H new ATOM 0 HA ALA A 23 4.256 -4.396 5.253 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.821 -4.170 7.649 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.090 -2.652 6.760 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.651 -2.836 7.791 1.00 0.00 H new ATOM 359 N GLY A 24 2.970 -6.210 6.419 1.00 0.00 N ATOM 360 CA GLY A 24 2.089 -7.281 6.848 1.00 0.00 C ATOM 361 C GLY A 24 2.268 -7.628 8.312 1.00 0.00 C ATOM 362 O GLY A 24 3.385 -7.614 8.827 1.00 0.00 O ATOM 0 H GLY A 24 3.906 -6.509 6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.054 -6.989 6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.278 -8.167 6.242 1.00 0.00 H new ATOM 366 N GLN A 25 1.164 -7.939 8.984 1.00 0.00 N ATOM 367 CA GLN A 25 1.205 -8.289 10.399 1.00 0.00 C ATOM 368 C GLN A 25 2.097 -9.503 10.634 1.00 0.00 C ATOM 369 O GLN A 25 2.566 -9.735 11.748 1.00 0.00 O ATOM 370 CB GLN A 25 -0.207 -8.571 10.917 1.00 0.00 C ATOM 371 CG GLN A 25 -0.311 -8.559 12.434 1.00 0.00 C ATOM 372 CD GLN A 25 -1.707 -8.222 12.920 1.00 0.00 C ATOM 373 OE1 GLN A 25 -2.624 -9.039 12.827 1.00 0.00 O ATOM 374 NE2 GLN A 25 -1.876 -7.013 13.442 1.00 0.00 N ATOM 0 H GLN A 25 0.231 -7.956 8.572 1.00 0.00 H new ATOM 0 HA GLN A 25 1.623 -7.443 10.945 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.891 -7.827 10.508 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.534 -9.542 10.546 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.021 -9.535 12.822 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.395 -7.833 12.837 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.088 -6.368 13.500 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.794 -6.730 13.786 1.00 0.00 H new ATOM 383 N ASP A 26 2.327 -10.275 9.578 1.00 0.00 N ATOM 384 CA ASP A 26 3.164 -11.466 9.669 1.00 0.00 C ATOM 385 C ASP A 26 4.643 -11.095 9.627 1.00 0.00 C ATOM 386 O ASP A 26 5.336 -11.150 10.642 1.00 0.00 O ATOM 387 CB ASP A 26 2.836 -12.434 8.531 1.00 0.00 C ATOM 388 CG ASP A 26 2.323 -11.723 7.295 1.00 0.00 C ATOM 389 OD1 ASP A 26 2.892 -10.670 6.938 1.00 0.00 O ATOM 390 OD2 ASP A 26 1.353 -12.218 6.684 1.00 0.00 O ATOM 0 H ASP A 26 1.946 -10.098 8.649 1.00 0.00 H new ATOM 0 HA ASP A 26 2.957 -11.954 10.622 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.729 -13.004 8.274 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.088 -13.150 8.871 1.00 0.00 H new ATOM 395 N GLY A 27 5.120 -10.718 8.444 1.00 0.00 N ATOM 396 CA GLY A 27 6.514 -10.345 8.292 1.00 0.00 C ATOM 397 C GLY A 27 6.783 -9.628 6.984 1.00 0.00 C ATOM 398 O GLY A 27 7.688 -10.002 6.238 1.00 0.00 O ATOM 0 H GLY A 27 4.566 -10.664 7.589 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.808 -9.702 9.122 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.134 -11.240 8.347 1.00 0.00 H new ATOM 402 N SER A 28 5.994 -8.596 6.703 1.00 0.00 N ATOM 403 CA SER A 28 6.147 -7.829 5.473 1.00 0.00 C ATOM 404 C SER A 28 6.292 -6.340 5.775 1.00 0.00 C ATOM 405 O SER A 28 5.875 -5.866 6.832 1.00 0.00 O ATOM 406 CB SER A 28 4.949 -8.059 4.550 1.00 0.00 C ATOM 407 OG SER A 28 4.801 -6.992 3.630 1.00 0.00 O ATOM 0 H SER A 28 5.242 -8.272 7.311 1.00 0.00 H new ATOM 0 HA SER A 28 7.053 -8.171 4.972 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.079 -8.995 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.041 -8.158 5.145 1.00 0.00 H new ATOM 0 HG SER A 28 4.030 -7.164 3.051 1.00 0.00 H new ATOM 413 N VAL A 29 6.887 -5.608 4.839 1.00 0.00 N ATOM 414 CA VAL A 29 7.086 -4.173 5.003 1.00 0.00 C ATOM 415 C VAL A 29 7.651 -3.547 3.733 1.00 0.00 C ATOM 416 O VAL A 29 8.779 -3.836 3.334 1.00 0.00 O ATOM 417 CB VAL A 29 8.036 -3.869 6.177 1.00 0.00 C ATOM 418 CG1 VAL A 29 9.331 -4.654 6.034 1.00 0.00 C ATOM 419 CG2 VAL A 29 8.315 -2.376 6.264 1.00 0.00 C ATOM 0 H VAL A 29 7.240 -5.985 3.959 1.00 0.00 H new ATOM 0 HA VAL A 29 6.108 -3.740 5.214 1.00 0.00 H new ATOM 0 HB VAL A 29 7.552 -4.180 7.103 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.989 -4.426 6.872 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.110 -5.721 6.026 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.823 -4.378 5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.988 -2.180 7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.778 -2.038 5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.379 -1.839 6.418 1.00 0.00 H new ATOM 429 N VAL A 30 6.859 -2.688 3.100 1.00 0.00 N ATOM 430 CA VAL A 30 7.279 -2.019 1.875 1.00 0.00 C ATOM 431 C VAL A 30 6.937 -0.534 1.914 1.00 0.00 C ATOM 432 O VAL A 30 5.958 -0.129 2.539 1.00 0.00 O ATOM 433 CB VAL A 30 6.622 -2.654 0.635 1.00 0.00 C ATOM 434 CG1 VAL A 30 7.193 -2.052 -0.640 1.00 0.00 C ATOM 435 CG2 VAL A 30 6.804 -4.164 0.650 1.00 0.00 C ATOM 0 H VAL A 30 5.922 -2.439 3.416 1.00 0.00 H new ATOM 0 HA VAL A 30 8.360 -2.138 1.805 1.00 0.00 H new ATOM 0 HB VAL A 30 5.554 -2.440 0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.717 -2.513 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.005 -0.978 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.267 -2.232 -0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.334 -4.596 -0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.868 -4.402 0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.341 -4.577 1.546 1.00 0.00 H new ATOM 445 N GLN A 31 7.752 0.273 1.241 1.00 0.00 N ATOM 446 CA GLN A 31 7.535 1.714 1.199 1.00 0.00 C ATOM 447 C GLN A 31 7.215 2.176 -0.219 1.00 0.00 C ATOM 448 O GLN A 31 7.805 1.695 -1.187 1.00 0.00 O ATOM 449 CB GLN A 31 8.768 2.452 1.723 1.00 0.00 C ATOM 450 CG GLN A 31 10.069 1.991 1.086 1.00 0.00 C ATOM 451 CD GLN A 31 11.241 2.885 1.439 1.00 0.00 C ATOM 452 OE1 GLN A 31 11.599 3.787 0.681 1.00 0.00 O ATOM 453 NE2 GLN A 31 11.846 2.640 2.595 1.00 0.00 N ATOM 0 H GLN A 31 8.567 -0.047 0.718 1.00 0.00 H new ATOM 0 HA GLN A 31 6.683 1.946 1.838 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.645 3.520 1.545 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.833 2.314 2.802 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.285 0.972 1.407 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.950 1.966 0.003 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.516 1.882 3.193 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.641 3.210 2.886 1.00 0.00 H new ATOM 462 N PHE A 32 6.278 3.111 -0.334 1.00 0.00 N ATOM 463 CA PHE A 32 5.879 3.636 -1.635 1.00 0.00 C ATOM 464 C PHE A 32 5.421 5.087 -1.518 1.00 0.00 C ATOM 465 O PHE A 32 5.219 5.600 -0.417 1.00 0.00 O ATOM 466 CB PHE A 32 4.758 2.782 -2.232 1.00 0.00 C ATOM 467 CG PHE A 32 5.142 2.102 -3.515 1.00 0.00 C ATOM 468 CD1 PHE A 32 5.945 0.974 -3.503 1.00 0.00 C ATOM 469 CD2 PHE A 32 4.698 2.592 -4.733 1.00 0.00 C ATOM 470 CE1 PHE A 32 6.300 0.347 -4.682 1.00 0.00 C ATOM 471 CE2 PHE A 32 5.050 1.968 -5.916 1.00 0.00 C ATOM 472 CZ PHE A 32 5.851 0.844 -5.890 1.00 0.00 C ATOM 0 H PHE A 32 5.781 3.521 0.457 1.00 0.00 H new ATOM 0 HA PHE A 32 6.745 3.598 -2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.461 2.027 -1.505 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.887 3.413 -2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.298 0.580 -2.561 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.070 3.471 -4.759 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.928 -0.531 -4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.699 2.360 -6.859 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.126 0.354 -6.812 1.00 0.00 H new ATOM 482 N LYS A 33 5.258 5.744 -2.661 1.00 0.00 N ATOM 483 CA LYS A 33 4.823 7.135 -2.689 1.00 0.00 C ATOM 484 C LYS A 33 3.523 7.283 -3.473 1.00 0.00 C ATOM 485 O LYS A 33 3.281 6.553 -4.435 1.00 0.00 O ATOM 486 CB LYS A 33 5.908 8.018 -3.310 1.00 0.00 C ATOM 487 CG LYS A 33 7.159 8.135 -2.457 1.00 0.00 C ATOM 488 CD LYS A 33 8.401 8.324 -3.311 1.00 0.00 C ATOM 489 CE LYS A 33 8.532 9.759 -3.796 1.00 0.00 C ATOM 490 NZ LYS A 33 7.885 9.957 -5.123 1.00 0.00 N ATOM 0 H LYS A 33 5.421 5.335 -3.581 1.00 0.00 H new ATOM 0 HA LYS A 33 4.646 7.455 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.180 7.614 -4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.500 9.014 -3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.056 8.977 -1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.269 7.239 -1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.285 8.052 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.360 7.652 -4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.079 10.431 -3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.587 10.025 -3.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.111 10.907 -5.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.237 9.242 -5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.854 9.860 -5.025 1.00 0.00 H new ATOM 504 N ILE A 34 2.691 8.232 -3.057 1.00 0.00 N ATOM 505 CA ILE A 34 1.417 8.476 -3.722 1.00 0.00 C ATOM 506 C ILE A 34 0.944 9.908 -3.495 1.00 0.00 C ATOM 507 O ILE A 34 1.429 10.599 -2.599 1.00 0.00 O ATOM 508 CB ILE A 34 0.329 7.504 -3.229 1.00 0.00 C ATOM 509 CG1 ILE A 34 -0.729 7.294 -4.314 1.00 0.00 C ATOM 510 CG2 ILE A 34 -0.311 8.029 -1.952 1.00 0.00 C ATOM 511 CD1 ILE A 34 -0.934 5.843 -4.686 1.00 0.00 C ATOM 0 H ILE A 34 2.876 8.844 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 34 1.581 8.314 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 34 0.794 6.542 -3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.676 7.710 -3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.440 7.852 -5.205 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.078 7.331 -1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.450 8.131 -1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.765 9.001 -2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.698 5.770 -5.460 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.002 5.427 -5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.254 5.284 -3.807 1.00 0.00 H new ATOM 523 N LYS A 35 -0.007 10.347 -4.312 1.00 0.00 N ATOM 524 CA LYS A 35 -0.550 11.696 -4.201 1.00 0.00 C ATOM 525 C LYS A 35 -1.748 11.724 -3.257 1.00 0.00 C ATOM 526 O LYS A 35 -2.074 10.720 -2.623 1.00 0.00 O ATOM 527 CB LYS A 35 -0.960 12.218 -5.579 1.00 0.00 C ATOM 528 CG LYS A 35 0.096 12.005 -6.650 1.00 0.00 C ATOM 529 CD LYS A 35 -0.244 10.822 -7.541 1.00 0.00 C ATOM 530 CE LYS A 35 0.310 11.004 -8.945 1.00 0.00 C ATOM 531 NZ LYS A 35 0.082 9.801 -9.792 1.00 0.00 N ATOM 0 H LYS A 35 -0.418 9.788 -5.059 1.00 0.00 H new ATOM 0 HA LYS A 35 0.227 12.341 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.882 11.723 -5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.180 13.283 -5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.186 12.905 -7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.065 11.840 -6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.160 9.909 -7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.326 10.700 -7.589 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.159 11.870 -9.411 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.379 11.212 -8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.474 9.965 -10.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.551 8.979 -9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.939 9.617 -9.866 1.00 0.00 H new ATOM 545 N ARG A 36 -2.401 12.878 -3.171 1.00 0.00 N ATOM 546 CA ARG A 36 -3.563 13.036 -2.306 1.00 0.00 C ATOM 547 C ARG A 36 -4.741 12.213 -2.821 1.00 0.00 C ATOM 548 O ARG A 36 -5.084 11.177 -2.252 1.00 0.00 O ATOM 549 CB ARG A 36 -3.960 14.511 -2.212 1.00 0.00 C ATOM 550 CG ARG A 36 -5.263 14.745 -1.465 1.00 0.00 C ATOM 551 CD ARG A 36 -5.657 16.214 -1.479 1.00 0.00 C ATOM 552 NE ARG A 36 -6.134 16.640 -2.792 1.00 0.00 N ATOM 553 CZ ARG A 36 -6.465 17.893 -3.082 1.00 0.00 C ATOM 554 NH1 ARG A 36 -6.372 18.838 -2.157 1.00 0.00 N ATOM 555 NH2 ARG A 36 -6.891 18.203 -4.300 1.00 0.00 N ATOM 0 H ARG A 36 -2.145 13.718 -3.690 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.296 12.675 -1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.162 15.062 -1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.050 14.919 -3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.056 14.150 -1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.159 14.405 -0.435 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.436 16.388 -0.736 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.800 16.822 -1.190 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.217 15.937 -3.526 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.045 18.604 -1.220 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.627 19.799 -2.383 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.964 17.479 -5.014 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.145 19.166 -4.522 1.00 0.00 H new ATOM 569 N HIS A 37 -5.356 12.683 -3.902 1.00 0.00 N ATOM 570 CA HIS A 37 -6.495 11.991 -4.494 1.00 0.00 C ATOM 571 C HIS A 37 -6.035 10.998 -5.557 1.00 0.00 C ATOM 572 O HIS A 37 -6.012 11.312 -6.748 1.00 0.00 O ATOM 573 CB HIS A 37 -7.468 12.998 -5.107 1.00 0.00 C ATOM 574 CG HIS A 37 -8.579 12.361 -5.885 1.00 0.00 C ATOM 575 ND1 HIS A 37 -9.181 11.179 -5.506 1.00 0.00 N ATOM 576 CD2 HIS A 37 -9.197 12.749 -7.024 1.00 0.00 C ATOM 577 CE1 HIS A 37 -10.120 10.867 -6.381 1.00 0.00 C ATOM 578 NE2 HIS A 37 -10.151 11.803 -7.312 1.00 0.00 N ATOM 0 H HIS A 37 -5.085 13.539 -4.385 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.005 11.440 -3.704 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -7.896 13.608 -4.311 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -6.916 13.671 -5.763 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -8.981 13.637 -7.600 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.755 9.994 -6.342 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -10.781 11.821 -8.114 1.00 0.00 H new ATOM 586 N THR A 38 -5.667 9.798 -5.120 1.00 0.00 N ATOM 587 CA THR A 38 -5.205 8.760 -6.033 1.00 0.00 C ATOM 588 C THR A 38 -5.965 7.457 -5.814 1.00 0.00 C ATOM 589 O THR A 38 -6.161 7.006 -4.685 1.00 0.00 O ATOM 590 CB THR A 38 -3.697 8.495 -5.866 1.00 0.00 C ATOM 591 OG1 THR A 38 -2.954 9.679 -6.177 1.00 0.00 O ATOM 592 CG2 THR A 38 -3.244 7.356 -6.766 1.00 0.00 C ATOM 0 H THR A 38 -5.680 9.521 -4.139 1.00 0.00 H new ATOM 0 HA THR A 38 -5.393 9.122 -7.044 1.00 0.00 H new ATOM 0 HB THR A 38 -3.514 8.213 -4.829 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.354 10.121 -6.955 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.176 7.188 -6.630 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.790 6.449 -6.507 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.441 7.614 -7.807 1.00 0.00 H new ATOM 600 N PRO A 39 -6.404 6.835 -6.918 1.00 0.00 N ATOM 601 CA PRO A 39 -7.149 5.573 -6.872 1.00 0.00 C ATOM 602 C PRO A 39 -6.277 4.400 -6.440 1.00 0.00 C ATOM 603 O PRO A 39 -5.383 3.974 -7.172 1.00 0.00 O ATOM 604 CB PRO A 39 -7.619 5.386 -8.317 1.00 0.00 C ATOM 605 CG PRO A 39 -6.632 6.143 -9.137 1.00 0.00 C ATOM 606 CD PRO A 39 -6.207 7.314 -8.296 1.00 0.00 C ATOM 0 HA PRO A 39 -7.961 5.606 -6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.638 4.332 -8.594 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.629 5.771 -8.458 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.778 5.517 -9.395 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.077 6.477 -10.074 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.168 7.586 -8.482 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.810 8.198 -8.504 1.00 0.00 H new ATOM 614 N LEU A 40 -6.542 3.880 -5.246 1.00 0.00 N ATOM 615 CA LEU A 40 -5.781 2.754 -4.715 1.00 0.00 C ATOM 616 C LEU A 40 -5.734 1.607 -5.719 1.00 0.00 C ATOM 617 O LEU A 40 -4.839 0.763 -5.671 1.00 0.00 O ATOM 618 CB LEU A 40 -6.396 2.272 -3.400 1.00 0.00 C ATOM 619 CG LEU A 40 -6.488 3.310 -2.282 1.00 0.00 C ATOM 620 CD1 LEU A 40 -7.892 3.890 -2.205 1.00 0.00 C ATOM 621 CD2 LEU A 40 -6.089 2.694 -0.948 1.00 0.00 C ATOM 0 H LEU A 40 -7.278 4.220 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.761 3.091 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.399 1.900 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.811 1.427 -3.037 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.795 4.120 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.938 4.627 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.140 4.368 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.605 3.091 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.160 3.447 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.757 1.864 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.064 2.329 -1.008 1.00 0.00 H new ATOM 633 N SER A 41 -6.703 1.584 -6.629 1.00 0.00 N ATOM 634 CA SER A 41 -6.774 0.539 -7.644 1.00 0.00 C ATOM 635 C SER A 41 -5.409 0.315 -8.289 1.00 0.00 C ATOM 636 O SER A 41 -4.858 -0.785 -8.239 1.00 0.00 O ATOM 637 CB SER A 41 -7.802 0.908 -8.715 1.00 0.00 C ATOM 638 OG SER A 41 -8.872 1.653 -8.160 1.00 0.00 O ATOM 0 H SER A 41 -7.449 2.277 -6.684 1.00 0.00 H new ATOM 0 HA SER A 41 -7.083 -0.386 -7.157 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.320 1.489 -9.501 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.189 0.001 -9.180 1.00 0.00 H new ATOM 0 HG SER A 41 -9.514 1.878 -8.865 1.00 0.00 H new ATOM 644 N LYS A 42 -4.869 1.367 -8.896 1.00 0.00 N ATOM 645 CA LYS A 42 -3.569 1.288 -9.551 1.00 0.00 C ATOM 646 C LYS A 42 -2.524 0.687 -8.615 1.00 0.00 C ATOM 647 O LYS A 42 -1.595 0.011 -9.059 1.00 0.00 O ATOM 648 CB LYS A 42 -3.120 2.678 -10.007 1.00 0.00 C ATOM 649 CG LYS A 42 -3.119 3.713 -8.896 1.00 0.00 C ATOM 650 CD LYS A 42 -1.821 4.503 -8.870 1.00 0.00 C ATOM 651 CE LYS A 42 -1.632 5.305 -10.149 1.00 0.00 C ATOM 652 NZ LYS A 42 -0.665 6.423 -9.965 1.00 0.00 N ATOM 0 H LYS A 42 -5.312 2.284 -8.948 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.667 0.640 -10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.116 2.607 -10.426 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.777 3.018 -10.808 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.958 4.395 -9.032 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.264 3.218 -7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.821 5.177 -8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.981 3.821 -8.739 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.279 4.646 -10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.593 5.705 -10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.564 6.945 -10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.014 7.066 -9.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.259 6.039 -9.682 1.00 0.00 H new ATOM 666 N LEU A 43 -2.683 0.936 -7.320 1.00 0.00 N ATOM 667 CA LEU A 43 -1.754 0.418 -6.322 1.00 0.00 C ATOM 668 C LEU A 43 -1.949 -1.082 -6.123 1.00 0.00 C ATOM 669 O LEU A 43 -1.049 -1.876 -6.392 1.00 0.00 O ATOM 670 CB LEU A 43 -1.944 1.149 -4.992 1.00 0.00 C ATOM 671 CG LEU A 43 -0.813 0.995 -3.974 1.00 0.00 C ATOM 672 CD1 LEU A 43 0.514 1.424 -4.580 1.00 0.00 C ATOM 673 CD2 LEU A 43 -1.113 1.800 -2.718 1.00 0.00 C ATOM 0 H LEU A 43 -3.446 1.493 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.740 0.589 -6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.077 2.211 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.868 0.795 -4.535 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.739 -0.057 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.306 1.307 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.734 0.804 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.454 2.469 -4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.298 1.679 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.215 2.854 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.042 1.445 -2.271 1.00 0.00 H new ATOM 685 N MET A 44 -3.133 -1.462 -5.652 1.00 0.00 N ATOM 686 CA MET A 44 -3.447 -2.867 -5.421 1.00 0.00 C ATOM 687 C MET A 44 -3.166 -3.699 -6.668 1.00 0.00 C ATOM 688 O MET A 44 -2.621 -4.800 -6.582 1.00 0.00 O ATOM 689 CB MET A 44 -4.912 -3.022 -5.009 1.00 0.00 C ATOM 690 CG MET A 44 -5.891 -2.418 -6.003 1.00 0.00 C ATOM 691 SD MET A 44 -7.602 -2.523 -5.445 1.00 0.00 S ATOM 692 CE MET A 44 -8.043 -4.164 -6.014 1.00 0.00 C ATOM 0 H MET A 44 -3.889 -0.817 -5.423 1.00 0.00 H new ATOM 0 HA MET A 44 -2.810 -3.229 -4.614 1.00 0.00 H new ATOM 0 HB2 MET A 44 -5.137 -4.082 -4.889 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.059 -2.553 -4.036 1.00 0.00 H new ATOM 0 HG2 MET A 44 -5.632 -1.373 -6.173 1.00 0.00 H new ATOM 0 HG3 MET A 44 -5.793 -2.930 -6.960 1.00 0.00 H new ATOM 0 HE1 MET A 44 -9.077 -4.377 -5.743 1.00 0.00 H new ATOM 0 HE2 MET A 44 -7.934 -4.215 -7.097 1.00 0.00 H new ATOM 0 HE3 MET A 44 -7.387 -4.899 -5.548 1.00 0.00 H new ATOM 702 N LYS A 45 -3.542 -3.167 -7.826 1.00 0.00 N ATOM 703 CA LYS A 45 -3.330 -3.860 -9.091 1.00 0.00 C ATOM 704 C LYS A 45 -1.880 -4.313 -9.227 1.00 0.00 C ATOM 705 O LYS A 45 -1.607 -5.489 -9.469 1.00 0.00 O ATOM 706 CB LYS A 45 -3.703 -2.950 -10.263 1.00 0.00 C ATOM 707 CG LYS A 45 -3.502 -3.596 -11.623 1.00 0.00 C ATOM 708 CD LYS A 45 -3.758 -2.611 -12.752 1.00 0.00 C ATOM 709 CE LYS A 45 -2.907 -2.929 -13.972 1.00 0.00 C ATOM 710 NZ LYS A 45 -2.902 -1.807 -14.951 1.00 0.00 N ATOM 0 H LYS A 45 -3.995 -2.258 -7.914 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.970 -4.742 -9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.747 -2.652 -10.163 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.105 -2.040 -10.210 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.485 -3.980 -11.698 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.173 -4.449 -11.724 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.813 -2.636 -13.026 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.542 -1.599 -12.410 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.885 -3.141 -13.657 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.285 -3.830 -14.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.311 -2.062 -15.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.874 -1.621 -15.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.517 -0.953 -14.499 1.00 0.00 H new ATOM 724 N ALA A 46 -0.954 -3.374 -9.068 1.00 0.00 N ATOM 725 CA ALA A 46 0.468 -3.678 -9.169 1.00 0.00 C ATOM 726 C ALA A 46 0.882 -4.719 -8.135 1.00 0.00 C ATOM 727 O ALA A 46 1.493 -5.734 -8.472 1.00 0.00 O ATOM 728 CB ALA A 46 1.292 -2.409 -9.003 1.00 0.00 C ATOM 0 H ALA A 46 -1.163 -2.396 -8.869 1.00 0.00 H new ATOM 0 HA ALA A 46 0.656 -4.093 -10.159 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.352 -2.651 -9.081 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.024 -1.697 -9.783 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.091 -1.970 -8.026 1.00 0.00 H new ATOM 734 N TYR A 47 0.546 -4.462 -6.876 1.00 0.00 N ATOM 735 CA TYR A 47 0.886 -5.376 -5.792 1.00 0.00 C ATOM 736 C TYR A 47 0.462 -6.802 -6.130 1.00 0.00 C ATOM 737 O TYR A 47 1.257 -7.738 -6.029 1.00 0.00 O ATOM 738 CB TYR A 47 0.218 -4.928 -4.491 1.00 0.00 C ATOM 739 CG TYR A 47 0.854 -5.514 -3.251 1.00 0.00 C ATOM 740 CD1 TYR A 47 2.230 -5.466 -3.063 1.00 0.00 C ATOM 741 CD2 TYR A 47 0.079 -6.116 -2.267 1.00 0.00 C ATOM 742 CE1 TYR A 47 2.815 -6.001 -1.932 1.00 0.00 C ATOM 743 CE2 TYR A 47 0.656 -6.652 -1.132 1.00 0.00 C ATOM 744 CZ TYR A 47 2.025 -6.592 -0.969 1.00 0.00 C ATOM 745 OH TYR A 47 2.604 -7.125 0.159 1.00 0.00 O ATOM 0 H TYR A 47 0.038 -3.628 -6.581 1.00 0.00 H new ATOM 0 HA TYR A 47 1.968 -5.359 -5.661 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.255 -3.840 -4.429 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.835 -5.210 -4.517 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.853 -5.002 -3.814 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.993 -6.166 -2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.886 -5.957 -1.803 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.039 -7.115 -0.376 1.00 0.00 H new ATOM 0 HH TYR A 47 1.908 -7.502 0.737 1.00 0.00 H new ATOM 755 N CYS A 48 -0.794 -6.960 -6.531 1.00 0.00 N ATOM 756 CA CYS A 48 -1.325 -8.272 -6.884 1.00 0.00 C ATOM 757 C CYS A 48 -0.409 -8.980 -7.877 1.00 0.00 C ATOM 758 O CYS A 48 -0.091 -10.157 -7.711 1.00 0.00 O ATOM 759 CB CYS A 48 -2.729 -8.135 -7.475 1.00 0.00 C ATOM 760 SG CYS A 48 -3.997 -7.683 -6.268 1.00 0.00 S ATOM 0 H CYS A 48 -1.464 -6.196 -6.620 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.378 -8.872 -5.975 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.708 -7.382 -8.263 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.008 -9.079 -7.943 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.892 -6.419 -5.981 1.00 0.00 H new ATOM 766 N GLU A 49 0.009 -8.255 -8.909 1.00 0.00 N ATOM 767 CA GLU A 49 0.887 -8.816 -9.930 1.00 0.00 C ATOM 768 C GLU A 49 2.095 -9.496 -9.295 1.00 0.00 C ATOM 769 O GLU A 49 2.521 -10.565 -9.733 1.00 0.00 O ATOM 770 CB GLU A 49 1.351 -7.720 -10.892 1.00 0.00 C ATOM 771 CG GLU A 49 1.819 -8.250 -12.238 1.00 0.00 C ATOM 772 CD GLU A 49 2.769 -7.300 -12.941 1.00 0.00 C ATOM 773 OE1 GLU A 49 3.082 -6.239 -12.361 1.00 0.00 O ATOM 774 OE2 GLU A 49 3.198 -7.617 -14.070 1.00 0.00 O ATOM 0 H GLU A 49 -0.245 -7.279 -9.061 1.00 0.00 H new ATOM 0 HA GLU A 49 0.323 -9.564 -10.487 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.533 -7.018 -11.052 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.164 -7.161 -10.428 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.313 -9.211 -12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.953 -8.429 -12.875 1.00 0.00 H new ATOM 781 N ARG A 50 2.644 -8.869 -8.260 1.00 0.00 N ATOM 782 CA ARG A 50 3.805 -9.412 -7.564 1.00 0.00 C ATOM 783 C ARG A 50 3.447 -10.705 -6.837 1.00 0.00 C ATOM 784 O ARG A 50 3.816 -11.795 -7.273 1.00 0.00 O ATOM 785 CB ARG A 50 4.354 -8.389 -6.568 1.00 0.00 C ATOM 786 CG ARG A 50 5.368 -8.970 -5.596 1.00 0.00 C ATOM 787 CD ARG A 50 6.501 -9.672 -6.328 1.00 0.00 C ATOM 788 NE ARG A 50 7.801 -9.392 -5.722 1.00 0.00 N ATOM 789 CZ ARG A 50 8.942 -9.916 -6.155 1.00 0.00 C ATOM 790 NH1 ARG A 50 8.944 -10.743 -7.191 1.00 0.00 N ATOM 791 NH2 ARG A 50 10.084 -9.612 -5.552 1.00 0.00 N ATOM 0 H ARG A 50 2.303 -7.984 -7.884 1.00 0.00 H new ATOM 0 HA ARG A 50 4.572 -9.633 -8.306 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.818 -7.571 -7.119 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.525 -7.963 -6.003 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.774 -8.173 -4.973 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.872 -9.675 -4.929 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.323 -10.747 -6.324 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.511 -9.354 -7.371 1.00 0.00 H new ATOM 0 HE ARG A 50 7.834 -8.759 -4.923 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.068 -10.978 -7.658 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.822 -11.144 -7.522 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.086 -8.975 -4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.960 -10.015 -5.885 1.00 0.00 H new ATOM 805 N GLN A 51 2.727 -10.574 -5.728 1.00 0.00 N ATOM 806 CA GLN A 51 2.321 -11.732 -4.940 1.00 0.00 C ATOM 807 C GLN A 51 0.809 -11.752 -4.741 1.00 0.00 C ATOM 808 O GLN A 51 0.313 -11.485 -3.648 1.00 0.00 O ATOM 809 CB GLN A 51 3.026 -11.725 -3.583 1.00 0.00 C ATOM 810 CG GLN A 51 4.309 -12.539 -3.559 1.00 0.00 C ATOM 811 CD GLN A 51 5.343 -11.972 -2.607 1.00 0.00 C ATOM 812 OE1 GLN A 51 5.136 -10.919 -2.003 1.00 0.00 O ATOM 813 NE2 GLN A 51 6.465 -12.669 -2.466 1.00 0.00 N ATOM 0 H GLN A 51 2.413 -9.678 -5.355 1.00 0.00 H new ATOM 0 HA GLN A 51 2.609 -12.630 -5.486 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.254 -10.695 -3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.344 -12.115 -2.827 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.079 -13.564 -3.270 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.729 -12.578 -4.564 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.595 -13.537 -2.986 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.196 -12.336 -1.838 1.00 0.00 H new ATOM 822 N GLY A 52 0.080 -12.070 -5.808 1.00 0.00 N ATOM 823 CA GLY A 52 -1.368 -12.119 -5.729 1.00 0.00 C ATOM 824 C GLY A 52 -1.881 -13.487 -5.327 1.00 0.00 C ATOM 825 O GLY A 52 -2.420 -14.224 -6.154 1.00 0.00 O ATOM 0 H GLY A 52 0.467 -12.294 -6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.715 -11.378 -5.008 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.791 -11.846 -6.696 1.00 0.00 H new ATOM 829 N LEU A 53 -1.714 -13.830 -4.055 1.00 0.00 N ATOM 830 CA LEU A 53 -2.163 -15.120 -3.544 1.00 0.00 C ATOM 831 C LEU A 53 -3.397 -14.958 -2.662 1.00 0.00 C ATOM 832 O LEU A 53 -3.985 -15.941 -2.213 1.00 0.00 O ATOM 833 CB LEU A 53 -1.042 -15.797 -2.753 1.00 0.00 C ATOM 834 CG LEU A 53 -0.084 -14.862 -2.014 1.00 0.00 C ATOM 835 CD1 LEU A 53 -0.842 -14.006 -1.010 1.00 0.00 C ATOM 836 CD2 LEU A 53 1.009 -15.659 -1.318 1.00 0.00 C ATOM 0 H LEU A 53 -1.270 -13.232 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.428 -15.747 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.494 -16.471 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.460 -16.412 -3.439 1.00 0.00 H new ATOM 0 HG LEU A 53 0.384 -14.202 -2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.144 -13.347 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.588 -13.407 -1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.338 -14.650 -0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.681 -14.977 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.559 -16.344 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.571 -16.228 -2.058 1.00 0.00 H new ATOM 848 N SER A 54 -3.784 -13.709 -2.420 1.00 0.00 N ATOM 849 CA SER A 54 -4.947 -13.417 -1.590 1.00 0.00 C ATOM 850 C SER A 54 -5.462 -12.006 -1.855 1.00 0.00 C ATOM 851 O SER A 54 -5.185 -11.080 -1.094 1.00 0.00 O ATOM 852 CB SER A 54 -4.596 -13.575 -0.109 1.00 0.00 C ATOM 853 OG SER A 54 -3.306 -13.059 0.167 1.00 0.00 O ATOM 0 H SER A 54 -3.309 -12.884 -2.787 1.00 0.00 H new ATOM 0 HA SER A 54 -5.734 -14.126 -1.847 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.336 -13.057 0.501 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.636 -14.629 0.167 1.00 0.00 H new ATOM 0 HG SER A 54 -3.041 -13.311 1.076 1.00 0.00 H new ATOM 859 N MET A 55 -6.215 -11.851 -2.939 1.00 0.00 N ATOM 860 CA MET A 55 -6.771 -10.553 -3.305 1.00 0.00 C ATOM 861 C MET A 55 -8.116 -10.327 -2.623 1.00 0.00 C ATOM 862 O MET A 55 -8.439 -9.208 -2.222 1.00 0.00 O ATOM 863 CB MET A 55 -6.931 -10.452 -4.823 1.00 0.00 C ATOM 864 CG MET A 55 -5.720 -10.947 -5.596 1.00 0.00 C ATOM 865 SD MET A 55 -5.882 -10.696 -7.374 1.00 0.00 S ATOM 866 CE MET A 55 -6.887 -12.109 -7.825 1.00 0.00 C ATOM 0 H MET A 55 -6.454 -12.608 -3.579 1.00 0.00 H new ATOM 0 HA MET A 55 -6.079 -9.781 -2.969 1.00 0.00 H new ATOM 0 HB2 MET A 55 -7.806 -11.027 -5.127 1.00 0.00 H new ATOM 0 HB3 MET A 55 -7.123 -9.413 -5.091 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.830 -10.429 -5.239 1.00 0.00 H new ATOM 0 HG3 MET A 55 -5.574 -12.008 -5.394 1.00 0.00 H new ATOM 0 HE1 MET A 55 -7.074 -12.094 -8.899 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.363 -13.027 -7.560 1.00 0.00 H new ATOM 0 HE3 MET A 55 -7.836 -12.066 -7.291 1.00 0.00 H new ATOM 876 N ARG A 56 -8.897 -11.395 -2.495 1.00 0.00 N ATOM 877 CA ARG A 56 -10.208 -11.311 -1.863 1.00 0.00 C ATOM 878 C ARG A 56 -10.136 -11.744 -0.401 1.00 0.00 C ATOM 879 O ARG A 56 -11.161 -11.899 0.261 1.00 0.00 O ATOM 880 CB ARG A 56 -11.216 -12.183 -2.614 1.00 0.00 C ATOM 881 CG ARG A 56 -11.369 -11.811 -4.080 1.00 0.00 C ATOM 882 CD ARG A 56 -12.030 -10.452 -4.244 1.00 0.00 C ATOM 883 NE ARG A 56 -13.480 -10.525 -4.080 1.00 0.00 N ATOM 884 CZ ARG A 56 -14.318 -9.597 -4.529 1.00 0.00 C ATOM 885 NH1 ARG A 56 -13.853 -8.532 -5.167 1.00 0.00 N ATOM 886 NH2 ARG A 56 -15.624 -9.735 -4.341 1.00 0.00 N ATOM 0 H ARG A 56 -8.645 -12.328 -2.821 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.536 -10.272 -1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.906 -13.226 -2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -12.187 -12.105 -2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.389 -11.800 -4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.964 -12.570 -4.589 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.617 -9.757 -3.513 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.796 -10.052 -5.231 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.870 -11.333 -3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.850 -8.424 -5.314 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.499 -7.821 -5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.985 -10.554 -3.852 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.267 -9.022 -4.686 1.00 0.00 H new ATOM 900 N GLN A 57 -8.917 -11.936 0.094 1.00 0.00 N ATOM 901 CA GLN A 57 -8.712 -12.352 1.477 1.00 0.00 C ATOM 902 C GLN A 57 -8.011 -11.258 2.275 1.00 0.00 C ATOM 903 O GLN A 57 -8.423 -10.926 3.387 1.00 0.00 O ATOM 904 CB GLN A 57 -7.892 -13.642 1.527 1.00 0.00 C ATOM 905 CG GLN A 57 -8.740 -14.903 1.506 1.00 0.00 C ATOM 906 CD GLN A 57 -7.907 -16.168 1.562 1.00 0.00 C ATOM 907 OE1 GLN A 57 -6.698 -16.140 1.329 1.00 0.00 O ATOM 908 NE2 GLN A 57 -8.550 -17.288 1.873 1.00 0.00 N ATOM 0 H GLN A 57 -8.058 -11.810 -0.441 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.689 -12.534 1.925 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.207 -13.660 0.679 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.281 -13.640 2.430 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.428 -14.888 2.352 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.348 -14.913 0.601 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.553 -17.266 2.059 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.041 -18.170 1.926 1.00 0.00 H new ATOM 917 N ILE A 58 -6.949 -10.702 1.702 1.00 0.00 N ATOM 918 CA ILE A 58 -6.191 -9.645 2.360 1.00 0.00 C ATOM 919 C ILE A 58 -6.936 -8.316 2.301 1.00 0.00 C ATOM 920 O ILE A 58 -7.532 -7.971 1.281 1.00 0.00 O ATOM 921 CB ILE A 58 -4.800 -9.469 1.723 1.00 0.00 C ATOM 922 CG1 ILE A 58 -3.903 -10.660 2.068 1.00 0.00 C ATOM 923 CG2 ILE A 58 -4.164 -8.168 2.190 1.00 0.00 C ATOM 924 CD1 ILE A 58 -2.527 -10.581 1.445 1.00 0.00 C ATOM 0 H ILE A 58 -6.594 -10.966 0.783 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.070 -9.945 3.401 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.915 -9.426 0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.799 -10.725 3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.390 -11.578 1.739 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.181 -8.058 1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.796 -7.329 1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.058 -8.184 3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.947 -11.458 1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.620 -10.548 0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.021 -9.681 1.794 1.00 0.00 H new ATOM 936 N ARG A 59 -6.897 -7.572 3.402 1.00 0.00 N ATOM 937 CA ARG A 59 -7.567 -6.280 3.476 1.00 0.00 C ATOM 938 C ARG A 59 -6.742 -5.284 4.286 1.00 0.00 C ATOM 939 O ARG A 59 -6.289 -5.590 5.389 1.00 0.00 O ATOM 940 CB ARG A 59 -8.955 -6.437 4.101 1.00 0.00 C ATOM 941 CG ARG A 59 -10.089 -6.378 3.090 1.00 0.00 C ATOM 942 CD ARG A 59 -11.381 -6.930 3.671 1.00 0.00 C ATOM 943 NE ARG A 59 -12.431 -5.916 3.730 1.00 0.00 N ATOM 944 CZ ARG A 59 -12.511 -4.997 4.685 1.00 0.00 C ATOM 945 NH1 ARG A 59 -11.609 -4.963 5.655 1.00 0.00 N ATOM 946 NH2 ARG A 59 -13.496 -4.108 4.670 1.00 0.00 N ATOM 0 H ARG A 59 -6.408 -7.843 4.255 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.674 -5.896 2.462 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.000 -7.389 4.630 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.101 -5.653 4.844 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.243 -5.346 2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.816 -6.947 2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.721 -7.770 3.065 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.192 -7.316 4.673 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.141 -5.914 2.998 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.850 -5.644 5.670 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.674 -4.256 6.387 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.192 -4.131 3.925 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.557 -3.402 5.404 1.00 0.00 H new ATOM 960 N PHE A 60 -6.550 -4.093 3.730 1.00 0.00 N ATOM 961 CA PHE A 60 -5.778 -3.052 4.400 1.00 0.00 C ATOM 962 C PHE A 60 -6.477 -2.593 5.676 1.00 0.00 C ATOM 963 O PHE A 60 -7.650 -2.222 5.655 1.00 0.00 O ATOM 964 CB PHE A 60 -5.568 -1.861 3.463 1.00 0.00 C ATOM 965 CG PHE A 60 -4.525 -2.103 2.410 1.00 0.00 C ATOM 966 CD1 PHE A 60 -4.849 -2.759 1.233 1.00 0.00 C ATOM 967 CD2 PHE A 60 -3.220 -1.675 2.597 1.00 0.00 C ATOM 968 CE1 PHE A 60 -3.890 -2.983 0.263 1.00 0.00 C ATOM 969 CE2 PHE A 60 -2.258 -1.896 1.630 1.00 0.00 C ATOM 970 CZ PHE A 60 -2.594 -2.550 0.461 1.00 0.00 C ATOM 0 H PHE A 60 -6.918 -3.824 2.817 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.808 -3.470 4.669 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.514 -1.620 2.978 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.282 -0.991 4.053 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -5.861 -3.099 1.072 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.952 -1.163 3.509 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -4.154 -3.497 -0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.245 -1.558 1.788 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.844 -2.722 -0.297 1.00 0.00 H new ATOM 980 N ARG A 61 -5.747 -2.622 6.786 1.00 0.00 N ATOM 981 CA ARG A 61 -6.296 -2.211 8.073 1.00 0.00 C ATOM 982 C ARG A 61 -5.314 -1.314 8.822 1.00 0.00 C ATOM 983 O ARG A 61 -4.102 -1.526 8.772 1.00 0.00 O ATOM 984 CB ARG A 61 -6.633 -3.437 8.923 1.00 0.00 C ATOM 985 CG ARG A 61 -7.364 -3.102 10.213 1.00 0.00 C ATOM 986 CD ARG A 61 -8.274 -4.240 10.649 1.00 0.00 C ATOM 987 NE ARG A 61 -9.206 -3.825 11.694 1.00 0.00 N ATOM 988 CZ ARG A 61 -10.275 -4.530 12.048 1.00 0.00 C ATOM 989 NH1 ARG A 61 -10.545 -5.679 11.444 1.00 0.00 N ATOM 990 NH2 ARG A 61 -11.076 -4.087 13.009 1.00 0.00 N ATOM 0 H ARG A 61 -4.774 -2.926 6.820 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.209 -1.645 7.886 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.247 -4.119 8.334 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.711 -3.966 9.165 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.639 -2.893 11.000 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.954 -2.196 10.074 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.834 -4.607 9.789 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.668 -5.070 11.012 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.026 -2.946 12.179 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.931 -6.024 10.706 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.366 -6.218 11.718 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.871 -3.204 13.477 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.896 -4.629 13.280 1.00 0.00 H new ATOM 1004 N PHE A 62 -5.846 -0.312 9.514 1.00 0.00 N ATOM 1005 CA PHE A 62 -5.017 0.618 10.272 1.00 0.00 C ATOM 1006 C PHE A 62 -5.220 0.429 11.772 1.00 0.00 C ATOM 1007 O PHE A 62 -6.228 -0.127 12.208 1.00 0.00 O ATOM 1008 CB PHE A 62 -5.342 2.060 9.879 1.00 0.00 C ATOM 1009 CG PHE A 62 -4.333 3.058 10.371 1.00 0.00 C ATOM 1010 CD1 PHE A 62 -3.019 3.006 9.936 1.00 0.00 C ATOM 1011 CD2 PHE A 62 -4.699 4.047 11.270 1.00 0.00 C ATOM 1012 CE1 PHE A 62 -2.087 3.922 10.387 1.00 0.00 C ATOM 1013 CE2 PHE A 62 -3.772 4.967 11.724 1.00 0.00 C ATOM 1014 CZ PHE A 62 -2.464 4.903 11.283 1.00 0.00 C ATOM 0 H PHE A 62 -6.847 -0.123 9.566 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.973 0.411 10.036 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.407 2.126 8.793 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.323 2.323 10.273 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.719 2.240 9.236 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.719 4.100 11.620 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.066 3.871 10.039 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.070 5.735 12.423 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.738 5.619 11.638 1.00 0.00 H new ATOM 1024 N ASP A 63 -4.255 0.895 12.557 1.00 0.00 N ATOM 1025 CA ASP A 63 -4.326 0.779 14.009 1.00 0.00 C ATOM 1026 C ASP A 63 -5.294 1.805 14.589 1.00 0.00 C ATOM 1027 O ASP A 63 -4.916 2.630 15.420 1.00 0.00 O ATOM 1028 CB ASP A 63 -2.939 0.962 14.625 1.00 0.00 C ATOM 1029 CG ASP A 63 -1.972 -0.129 14.209 1.00 0.00 C ATOM 1030 OD1 ASP A 63 -2.398 -1.299 14.121 1.00 0.00 O ATOM 1031 OD2 ASP A 63 -0.788 0.189 13.970 1.00 0.00 O ATOM 0 H ASP A 63 -3.414 1.357 12.212 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.693 -0.218 14.252 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.538 1.931 14.328 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.026 0.972 15.712 1.00 0.00 H new ATOM 1036 N GLY A 64 -6.546 1.749 14.144 1.00 0.00 N ATOM 1037 CA GLY A 64 -7.548 2.680 14.629 1.00 0.00 C ATOM 1038 C GLY A 64 -8.936 2.359 14.111 1.00 0.00 C ATOM 1039 O GLY A 64 -9.930 2.584 14.802 1.00 0.00 O ATOM 0 H GLY A 64 -6.884 1.076 13.456 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.557 2.664 15.719 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.276 3.692 14.328 1.00 0.00 H new ATOM 1043 N GLN A 65 -9.005 1.832 12.893 1.00 0.00 N ATOM 1044 CA GLN A 65 -10.282 1.483 12.283 1.00 0.00 C ATOM 1045 C GLN A 65 -10.075 0.847 10.912 1.00 0.00 C ATOM 1046 O GLN A 65 -9.033 1.010 10.276 1.00 0.00 O ATOM 1047 CB GLN A 65 -11.167 2.724 12.155 1.00 0.00 C ATOM 1048 CG GLN A 65 -10.398 3.985 11.797 1.00 0.00 C ATOM 1049 CD GLN A 65 -11.253 5.004 11.070 1.00 0.00 C ATOM 1050 OE1 GLN A 65 -12.470 4.849 10.966 1.00 0.00 O ATOM 1051 NE2 GLN A 65 -10.619 6.054 10.561 1.00 0.00 N ATOM 0 H GLN A 65 -8.191 1.637 12.309 1.00 0.00 H new ATOM 0 HA GLN A 65 -10.778 0.758 12.928 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -11.925 2.542 11.393 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.693 2.884 13.096 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.000 4.434 12.707 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.545 3.721 11.172 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.609 6.142 10.671 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.142 6.772 10.060 1.00 0.00 H new ATOM 1060 N PRO A 66 -11.090 0.105 10.444 1.00 0.00 N ATOM 1061 CA PRO A 66 -11.043 -0.569 9.143 1.00 0.00 C ATOM 1062 C PRO A 66 -11.095 0.413 7.978 1.00 0.00 C ATOM 1063 O PRO A 66 -11.531 1.554 8.136 1.00 0.00 O ATOM 1064 CB PRO A 66 -12.294 -1.451 9.155 1.00 0.00 C ATOM 1065 CG PRO A 66 -13.227 -0.772 10.098 1.00 0.00 C ATOM 1066 CD PRO A 66 -12.361 -0.132 11.148 1.00 0.00 C ATOM 0 HA PRO A 66 -10.115 -1.123 9.005 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.729 -1.535 8.159 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.062 -2.463 9.487 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.830 -0.025 9.581 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -13.919 -1.486 10.545 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -12.796 0.797 11.516 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -12.227 -0.785 12.011 1.00 0.00 H new ATOM 1074 N ILE A 67 -10.648 -0.037 6.810 1.00 0.00 N ATOM 1075 CA ILE A 67 -10.646 0.803 5.619 1.00 0.00 C ATOM 1076 C ILE A 67 -11.642 0.291 4.584 1.00 0.00 C ATOM 1077 O ILE A 67 -11.847 -0.914 4.449 1.00 0.00 O ATOM 1078 CB ILE A 67 -9.246 0.870 4.980 1.00 0.00 C ATOM 1079 CG1 ILE A 67 -8.176 1.038 6.060 1.00 0.00 C ATOM 1080 CG2 ILE A 67 -9.176 2.011 3.976 1.00 0.00 C ATOM 1081 CD1 ILE A 67 -6.770 1.124 5.510 1.00 0.00 C ATOM 0 H ILE A 67 -10.283 -0.978 6.663 1.00 0.00 H new ATOM 0 HA ILE A 67 -10.939 1.803 5.937 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.059 -0.065 4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.389 1.940 6.633 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.236 0.199 6.753 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.181 2.045 3.533 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.917 1.852 3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.380 2.954 4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.064 1.242 6.332 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.538 0.212 4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.693 1.980 4.840 1.00 0.00 H new ATOM 1093 N ASN A 68 -12.256 1.217 3.853 1.00 0.00 N ATOM 1094 CA ASN A 68 -13.229 0.859 2.828 1.00 0.00 C ATOM 1095 C ASN A 68 -12.549 0.661 1.477 1.00 0.00 C ATOM 1096 O ASN A 68 -11.325 0.731 1.372 1.00 0.00 O ATOM 1097 CB ASN A 68 -14.305 1.942 2.717 1.00 0.00 C ATOM 1098 CG ASN A 68 -15.285 1.903 3.872 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -15.193 2.700 4.806 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -16.232 0.973 3.815 1.00 0.00 N ATOM 0 H ASN A 68 -12.097 2.220 3.952 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.697 -0.081 3.119 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.828 2.922 2.681 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.847 1.817 1.780 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -16.920 0.899 4.564 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -16.271 0.333 3.022 1.00 0.00 H new ATOM 1107 N GLU A 69 -13.352 0.416 0.446 1.00 0.00 N ATOM 1108 CA GLU A 69 -12.826 0.208 -0.898 1.00 0.00 C ATOM 1109 C GLU A 69 -12.768 1.524 -1.669 1.00 0.00 C ATOM 1110 O GLU A 69 -11.865 1.745 -2.477 1.00 0.00 O ATOM 1111 CB GLU A 69 -13.689 -0.802 -1.657 1.00 0.00 C ATOM 1112 CG GLU A 69 -15.141 -0.376 -1.800 1.00 0.00 C ATOM 1113 CD GLU A 69 -15.993 -1.427 -2.485 1.00 0.00 C ATOM 1114 OE1 GLU A 69 -15.452 -2.172 -3.329 1.00 0.00 O ATOM 1115 OE2 GLU A 69 -17.200 -1.504 -2.176 1.00 0.00 O ATOM 0 H GLU A 69 -14.368 0.357 0.516 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.814 -0.186 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.265 -0.956 -2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.650 -1.761 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.553 -0.167 -0.813 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.189 0.552 -2.369 1.00 0.00 H new ATOM 1122 N THR A 70 -13.738 2.396 -1.413 1.00 0.00 N ATOM 1123 CA THR A 70 -13.799 3.689 -2.083 1.00 0.00 C ATOM 1124 C THR A 70 -13.212 4.790 -1.208 1.00 0.00 C ATOM 1125 O THR A 70 -13.628 5.946 -1.284 1.00 0.00 O ATOM 1126 CB THR A 70 -15.247 4.062 -2.454 1.00 0.00 C ATOM 1127 OG1 THR A 70 -15.262 5.279 -3.208 1.00 0.00 O ATOM 1128 CG2 THR A 70 -16.102 4.221 -1.206 1.00 0.00 C ATOM 0 H THR A 70 -14.492 2.230 -0.746 1.00 0.00 H new ATOM 0 HA THR A 70 -13.209 3.600 -2.995 1.00 0.00 H new ATOM 0 HB THR A 70 -15.663 3.256 -3.059 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.706 5.949 -2.759 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.120 4.484 -1.493 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.113 3.283 -0.651 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.687 5.010 -0.578 1.00 0.00 H new ATOM 1136 N ASP A 71 -12.242 4.424 -0.377 1.00 0.00 N ATOM 1137 CA ASP A 71 -11.596 5.382 0.513 1.00 0.00 C ATOM 1138 C ASP A 71 -10.364 5.993 -0.149 1.00 0.00 C ATOM 1139 O ASP A 71 -10.017 5.648 -1.279 1.00 0.00 O ATOM 1140 CB ASP A 71 -11.202 4.705 1.827 1.00 0.00 C ATOM 1141 CG ASP A 71 -9.848 4.027 1.745 1.00 0.00 C ATOM 1142 OD1 ASP A 71 -9.788 2.881 1.253 1.00 0.00 O ATOM 1143 OD2 ASP A 71 -8.849 4.641 2.174 1.00 0.00 O ATOM 0 H ASP A 71 -11.886 3.471 -0.301 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.307 6.181 0.724 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.186 5.448 2.625 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.959 3.968 2.094 1.00 0.00 H new ATOM 1148 N THR A 72 -9.705 6.902 0.563 1.00 0.00 N ATOM 1149 CA THR A 72 -8.514 7.562 0.045 1.00 0.00 C ATOM 1150 C THR A 72 -7.516 7.852 1.160 1.00 0.00 C ATOM 1151 O THR A 72 -7.871 7.934 2.337 1.00 0.00 O ATOM 1152 CB THR A 72 -8.868 8.882 -0.667 1.00 0.00 C ATOM 1153 OG1 THR A 72 -9.982 9.505 -0.019 1.00 0.00 O ATOM 1154 CG2 THR A 72 -9.198 8.635 -2.131 1.00 0.00 C ATOM 0 H THR A 72 -9.977 7.198 1.501 1.00 0.00 H new ATOM 0 HA THR A 72 -8.062 6.879 -0.674 1.00 0.00 H new ATOM 0 HB THR A 72 -8.002 9.542 -0.613 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.300 10.254 -0.564 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.445 9.581 -2.613 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.337 8.188 -2.628 1.00 0.00 H new ATOM 0 HG23 THR A 72 -10.049 7.958 -2.203 1.00 0.00 H new ATOM 1162 N PRO A 73 -6.238 8.010 0.786 1.00 0.00 N ATOM 1163 CA PRO A 73 -5.163 8.294 1.741 1.00 0.00 C ATOM 1164 C PRO A 73 -5.267 9.697 2.331 1.00 0.00 C ATOM 1165 O PRO A 73 -4.569 10.031 3.288 1.00 0.00 O ATOM 1166 CB PRO A 73 -3.894 8.162 0.896 1.00 0.00 C ATOM 1167 CG PRO A 73 -4.336 8.443 -0.499 1.00 0.00 C ATOM 1168 CD PRO A 73 -5.744 7.925 -0.599 1.00 0.00 C ATOM 0 HA PRO A 73 -5.192 7.622 2.599 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.129 8.868 1.218 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.464 7.164 0.981 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.297 9.511 -0.713 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.686 7.949 -1.221 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.347 8.528 -1.278 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.770 6.901 -0.973 1.00 0.00 H new ATOM 1176 N ALA A 74 -6.142 10.513 1.753 1.00 0.00 N ATOM 1177 CA ALA A 74 -6.339 11.879 2.224 1.00 0.00 C ATOM 1178 C ALA A 74 -7.528 11.966 3.174 1.00 0.00 C ATOM 1179 O ALA A 74 -7.616 12.884 3.989 1.00 0.00 O ATOM 1180 CB ALA A 74 -6.532 12.820 1.044 1.00 0.00 C ATOM 0 H ALA A 74 -6.726 10.252 0.958 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.447 12.181 2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.678 13.837 1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.650 12.787 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.407 12.511 0.472 1.00 0.00 H new ATOM 1186 N GLN A 75 -8.441 11.006 3.062 1.00 0.00 N ATOM 1187 CA GLN A 75 -9.626 10.977 3.911 1.00 0.00 C ATOM 1188 C GLN A 75 -9.418 10.051 5.105 1.00 0.00 C ATOM 1189 O GLN A 75 -10.371 9.682 5.791 1.00 0.00 O ATOM 1190 CB GLN A 75 -10.845 10.524 3.105 1.00 0.00 C ATOM 1191 CG GLN A 75 -11.301 11.539 2.069 1.00 0.00 C ATOM 1192 CD GLN A 75 -12.722 11.296 1.600 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -13.457 10.507 2.194 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -13.116 11.975 0.529 1.00 0.00 N ATOM 0 H GLN A 75 -8.383 10.239 2.392 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.800 11.986 4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.610 9.585 2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.668 10.322 3.790 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.228 12.541 2.491 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.629 11.505 1.212 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.473 12.619 0.068 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.062 11.853 0.167 1.00 0.00 H new ATOM 1203 N LEU A 76 -8.166 9.678 5.346 1.00 0.00 N ATOM 1204 CA LEU A 76 -7.832 8.794 6.458 1.00 0.00 C ATOM 1205 C LEU A 76 -6.663 9.351 7.264 1.00 0.00 C ATOM 1206 O LEU A 76 -6.201 8.725 8.218 1.00 0.00 O ATOM 1207 CB LEU A 76 -7.488 7.397 5.938 1.00 0.00 C ATOM 1208 CG LEU A 76 -8.624 6.374 5.962 1.00 0.00 C ATOM 1209 CD1 LEU A 76 -8.356 5.256 4.966 1.00 0.00 C ATOM 1210 CD2 LEU A 76 -8.805 5.810 7.364 1.00 0.00 C ATOM 0 H LEU A 76 -7.366 9.974 4.787 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.701 8.728 7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.132 7.490 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.660 7.005 6.529 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.547 6.877 5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.175 4.537 4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.278 5.674 3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.423 4.755 5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.618 5.084 7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.883 5.322 7.682 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.044 6.619 8.054 1.00 0.00 H new ATOM 1222 N GLU A 77 -6.192 10.532 6.876 1.00 0.00 N ATOM 1223 CA GLU A 77 -5.078 11.174 7.565 1.00 0.00 C ATOM 1224 C GLU A 77 -3.916 10.201 7.743 1.00 0.00 C ATOM 1225 O GLU A 77 -3.321 10.119 8.818 1.00 0.00 O ATOM 1226 CB GLU A 77 -5.529 11.703 8.928 1.00 0.00 C ATOM 1227 CG GLU A 77 -6.792 12.545 8.867 1.00 0.00 C ATOM 1228 CD GLU A 77 -7.160 13.144 10.210 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -6.500 14.120 10.624 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -8.106 12.637 10.848 1.00 0.00 O ATOM 0 H GLU A 77 -6.564 11.063 6.089 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.739 12.010 6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.697 10.860 9.598 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.726 12.299 9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.655 13.347 8.141 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.617 11.929 8.510 1.00 0.00 H new ATOM 1237 N MET A 78 -3.600 9.465 6.683 1.00 0.00 N ATOM 1238 CA MET A 78 -2.509 8.498 6.722 1.00 0.00 C ATOM 1239 C MET A 78 -1.347 8.954 5.846 1.00 0.00 C ATOM 1240 O MET A 78 -1.149 8.439 4.746 1.00 0.00 O ATOM 1241 CB MET A 78 -3.001 7.124 6.263 1.00 0.00 C ATOM 1242 CG MET A 78 -3.893 7.177 5.034 1.00 0.00 C ATOM 1243 SD MET A 78 -4.349 5.538 4.435 1.00 0.00 S ATOM 1244 CE MET A 78 -4.941 4.779 5.946 1.00 0.00 C ATOM 0 H MET A 78 -4.084 9.520 5.787 1.00 0.00 H new ATOM 0 HA MET A 78 -2.158 8.425 7.751 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.139 6.492 6.049 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.548 6.652 7.079 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.797 7.738 5.270 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.380 7.720 4.240 1.00 0.00 H new ATOM 0 HE1 MET A 78 -5.484 3.865 5.706 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.094 4.539 6.589 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.605 5.470 6.464 1.00 0.00 H new ATOM 1254 N GLU A 79 -0.582 9.922 6.341 1.00 0.00 N ATOM 1255 CA GLU A 79 0.560 10.447 5.601 1.00 0.00 C ATOM 1256 C GLU A 79 1.777 10.592 6.510 1.00 0.00 C ATOM 1257 O GLU A 79 1.798 10.071 7.626 1.00 0.00 O ATOM 1258 CB GLU A 79 0.212 11.799 4.976 1.00 0.00 C ATOM 1259 CG GLU A 79 -1.257 11.945 4.618 1.00 0.00 C ATOM 1260 CD GLU A 79 -2.069 12.579 5.731 1.00 0.00 C ATOM 1261 OE1 GLU A 79 -1.567 12.637 6.873 1.00 0.00 O ATOM 1262 OE2 GLU A 79 -3.206 13.017 5.460 1.00 0.00 O ATOM 0 H GLU A 79 -0.732 10.358 7.251 1.00 0.00 H new ATOM 0 HA GLU A 79 0.803 9.740 4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.488 12.592 5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.812 11.939 4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.349 12.550 3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.670 10.963 4.386 1.00 0.00 H new ATOM 1269 N ASP A 80 2.789 11.302 6.025 1.00 0.00 N ATOM 1270 CA ASP A 80 4.010 11.517 6.792 1.00 0.00 C ATOM 1271 C ASP A 80 4.704 10.192 7.091 1.00 0.00 C ATOM 1272 O ASP A 80 5.126 9.942 8.219 1.00 0.00 O ATOM 1273 CB ASP A 80 3.695 12.247 8.099 1.00 0.00 C ATOM 1274 CG ASP A 80 2.653 13.334 7.918 1.00 0.00 C ATOM 1275 OD1 ASP A 80 2.808 14.154 6.989 1.00 0.00 O ATOM 1276 OD2 ASP A 80 1.684 13.364 8.705 1.00 0.00 O ATOM 0 H ASP A 80 2.788 11.739 5.103 1.00 0.00 H new ATOM 0 HA ASP A 80 4.682 12.132 6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.341 11.528 8.837 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.610 12.687 8.496 1.00 0.00 H new ATOM 1281 N GLU A 81 4.819 9.346 6.071 1.00 0.00 N ATOM 1282 CA GLU A 81 5.460 8.046 6.226 1.00 0.00 C ATOM 1283 C GLU A 81 4.664 7.156 7.176 1.00 0.00 C ATOM 1284 O GLU A 81 5.215 6.588 8.119 1.00 0.00 O ATOM 1285 CB GLU A 81 6.889 8.216 6.746 1.00 0.00 C ATOM 1286 CG GLU A 81 7.667 9.313 6.039 1.00 0.00 C ATOM 1287 CD GLU A 81 9.104 9.407 6.514 1.00 0.00 C ATOM 1288 OE1 GLU A 81 9.430 8.787 7.547 1.00 0.00 O ATOM 1289 OE2 GLU A 81 9.903 10.102 5.851 1.00 0.00 O ATOM 0 H GLU A 81 4.477 9.538 5.130 1.00 0.00 H new ATOM 0 HA GLU A 81 5.491 7.566 5.248 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.855 8.436 7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.423 7.272 6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.655 9.128 4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.170 10.269 6.203 1.00 0.00 H new ATOM 1296 N ASP A 82 3.365 7.041 6.921 1.00 0.00 N ATOM 1297 CA ASP A 82 2.492 6.220 7.752 1.00 0.00 C ATOM 1298 C ASP A 82 2.515 4.766 7.293 1.00 0.00 C ATOM 1299 O ASP A 82 2.463 4.480 6.096 1.00 0.00 O ATOM 1300 CB ASP A 82 1.061 6.759 7.713 1.00 0.00 C ATOM 1301 CG ASP A 82 0.467 6.924 9.097 1.00 0.00 C ATOM 1302 OD1 ASP A 82 1.219 7.282 10.028 1.00 0.00 O ATOM 1303 OD2 ASP A 82 -0.751 6.696 9.251 1.00 0.00 O ATOM 0 H ASP A 82 2.893 7.506 6.145 1.00 0.00 H new ATOM 0 HA ASP A 82 2.860 6.264 8.777 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.052 7.721 7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.436 6.081 7.131 1.00 0.00 H new ATOM 1308 N THR A 83 2.593 3.849 8.252 1.00 0.00 N ATOM 1309 CA THR A 83 2.625 2.424 7.947 1.00 0.00 C ATOM 1310 C THR A 83 1.248 1.794 8.122 1.00 0.00 C ATOM 1311 O THR A 83 0.723 1.725 9.234 1.00 0.00 O ATOM 1312 CB THR A 83 3.634 1.680 8.841 1.00 0.00 C ATOM 1313 OG1 THR A 83 4.852 2.428 8.932 1.00 0.00 O ATOM 1314 CG2 THR A 83 3.925 0.292 8.290 1.00 0.00 C ATOM 0 H THR A 83 2.635 4.068 9.247 1.00 0.00 H new ATOM 0 HA THR A 83 2.936 2.331 6.906 1.00 0.00 H new ATOM 0 HB THR A 83 3.198 1.575 9.834 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.488 1.949 9.504 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.640 -0.214 8.938 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.001 -0.284 8.249 1.00 0.00 H new ATOM 0 HG23 THR A 83 4.343 0.379 7.287 1.00 0.00 H new ATOM 1322 N ILE A 84 0.668 1.334 7.018 1.00 0.00 N ATOM 1323 CA ILE A 84 -0.648 0.707 7.051 1.00 0.00 C ATOM 1324 C ILE A 84 -0.536 -0.794 7.294 1.00 0.00 C ATOM 1325 O ILE A 84 0.165 -1.500 6.569 1.00 0.00 O ATOM 1326 CB ILE A 84 -1.418 0.947 5.740 1.00 0.00 C ATOM 1327 CG1 ILE A 84 -1.579 2.448 5.484 1.00 0.00 C ATOM 1328 CG2 ILE A 84 -2.777 0.265 5.791 1.00 0.00 C ATOM 1329 CD1 ILE A 84 -2.225 2.768 4.155 1.00 0.00 C ATOM 0 H ILE A 84 1.089 1.384 6.090 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.196 1.166 7.874 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.847 0.516 4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.178 2.883 6.284 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.599 2.923 5.526 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.309 0.444 4.857 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.641 -0.807 5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.356 0.669 6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.307 3.849 4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.615 2.363 3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.219 2.323 4.117 1.00 0.00 H new ATOM 1341 N ASP A 85 -1.232 -1.275 8.318 1.00 0.00 N ATOM 1342 CA ASP A 85 -1.214 -2.694 8.655 1.00 0.00 C ATOM 1343 C ASP A 85 -1.985 -3.509 7.621 1.00 0.00 C ATOM 1344 O ASP A 85 -2.945 -3.023 7.024 1.00 0.00 O ATOM 1345 CB ASP A 85 -1.810 -2.917 10.046 1.00 0.00 C ATOM 1346 CG ASP A 85 -0.749 -2.992 11.126 1.00 0.00 C ATOM 1347 OD1 ASP A 85 0.282 -2.299 10.994 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -0.949 -3.743 12.103 1.00 0.00 O ATOM 0 H ASP A 85 -1.816 -0.704 8.929 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.177 -3.029 8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.501 -2.106 10.276 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.390 -3.840 10.046 1.00 0.00 H new ATOM 1353 N VAL A 86 -1.556 -4.750 7.414 1.00 0.00 N ATOM 1354 CA VAL A 86 -2.206 -5.632 6.452 1.00 0.00 C ATOM 1355 C VAL A 86 -2.065 -7.093 6.864 1.00 0.00 C ATOM 1356 O VAL A 86 -1.039 -7.499 7.411 1.00 0.00 O ATOM 1357 CB VAL A 86 -1.620 -5.450 5.039 1.00 0.00 C ATOM 1358 CG1 VAL A 86 -2.258 -6.430 4.066 1.00 0.00 C ATOM 1359 CG2 VAL A 86 -1.808 -4.017 4.565 1.00 0.00 C ATOM 0 H VAL A 86 -0.762 -5.167 7.899 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.262 -5.362 6.437 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.551 -5.658 5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.832 -6.287 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.067 -7.450 4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.333 -6.256 4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.388 -3.906 3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.871 -3.778 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.299 -3.338 5.249 1.00 0.00 H new ATOM 1369 N PHE A 87 -3.102 -7.880 6.598 1.00 0.00 N ATOM 1370 CA PHE A 87 -3.095 -9.297 6.942 1.00 0.00 C ATOM 1371 C PHE A 87 -3.845 -10.115 5.894 1.00 0.00 C ATOM 1372 O PHE A 87 -4.498 -9.560 5.011 1.00 0.00 O ATOM 1373 CB PHE A 87 -3.724 -9.513 8.320 1.00 0.00 C ATOM 1374 CG PHE A 87 -4.960 -8.690 8.549 1.00 0.00 C ATOM 1375 CD1 PHE A 87 -6.195 -9.131 8.100 1.00 0.00 C ATOM 1376 CD2 PHE A 87 -4.887 -7.477 9.215 1.00 0.00 C ATOM 1377 CE1 PHE A 87 -7.333 -8.376 8.310 1.00 0.00 C ATOM 1378 CE2 PHE A 87 -6.023 -6.718 9.428 1.00 0.00 C ATOM 1379 CZ PHE A 87 -7.247 -7.169 8.976 1.00 0.00 C ATOM 0 H PHE A 87 -3.958 -7.560 6.145 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.059 -9.634 6.967 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.973 -10.568 8.436 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.989 -9.272 9.088 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.269 -10.075 7.580 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.932 -7.120 9.572 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.289 -8.729 7.954 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.953 -5.774 9.947 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.136 -6.579 9.143 1.00 0.00 H new ATOM 1389 N GLN A 88 -3.745 -11.436 6.000 1.00 0.00 N ATOM 1390 CA GLN A 88 -4.413 -12.330 5.062 1.00 0.00 C ATOM 1391 C GLN A 88 -5.316 -13.315 5.797 1.00 0.00 C ATOM 1392 O GLN A 88 -5.376 -13.317 7.026 1.00 0.00 O ATOM 1393 CB GLN A 88 -3.381 -13.090 4.227 1.00 0.00 C ATOM 1394 CG GLN A 88 -2.542 -14.065 5.037 1.00 0.00 C ATOM 1395 CD GLN A 88 -1.756 -15.024 4.165 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -0.543 -15.169 4.319 1.00 0.00 O ATOM 1397 NE2 GLN A 88 -2.444 -15.685 3.242 1.00 0.00 N ATOM 0 H GLN A 88 -3.208 -11.911 6.726 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.031 -11.725 4.399 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.896 -13.636 3.437 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.720 -12.373 3.740 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.852 -13.506 5.669 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.193 -14.634 5.701 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.448 -15.534 3.149 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.968 -16.344 2.626 1.00 0.00 H new ATOM 1406 N GLN A 89 -6.016 -14.150 5.035 1.00 0.00 N ATOM 1407 CA GLN A 89 -6.916 -15.139 5.615 1.00 0.00 C ATOM 1408 C GLN A 89 -6.478 -16.554 5.252 1.00 0.00 C ATOM 1409 O GLN A 89 -7.293 -17.474 5.211 1.00 0.00 O ATOM 1410 CB GLN A 89 -8.349 -14.898 5.137 1.00 0.00 C ATOM 1411 CG GLN A 89 -8.837 -13.477 5.367 1.00 0.00 C ATOM 1412 CD GLN A 89 -9.114 -13.184 6.828 1.00 0.00 C ATOM 1413 OE1 GLN A 89 -9.310 -14.098 7.630 1.00 0.00 O ATOM 1414 NE2 GLN A 89 -9.132 -11.904 7.183 1.00 0.00 N ATOM 0 H GLN A 89 -5.977 -14.161 4.016 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.879 -15.034 6.699 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.411 -15.127 4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.016 -15.590 5.652 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.090 -12.776 4.995 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.746 -13.311 4.789 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.964 -11.179 6.485 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.313 -11.646 8.153 1.00 0.00 H new ATOM 1423 N GLN A 90 -5.185 -16.718 4.990 1.00 0.00 N ATOM 1424 CA GLN A 90 -4.639 -18.021 4.629 1.00 0.00 C ATOM 1425 C GLN A 90 -3.251 -18.215 5.230 1.00 0.00 C ATOM 1426 O GLN A 90 -2.688 -17.297 5.828 1.00 0.00 O ATOM 1427 CB GLN A 90 -4.574 -18.167 3.108 1.00 0.00 C ATOM 1428 CG GLN A 90 -4.758 -19.597 2.625 1.00 0.00 C ATOM 1429 CD GLN A 90 -5.267 -19.671 1.199 1.00 0.00 C ATOM 1430 OE1 GLN A 90 -6.472 -19.760 0.962 1.00 0.00 O ATOM 1431 NE2 GLN A 90 -4.350 -19.633 0.240 1.00 0.00 N ATOM 0 H GLN A 90 -4.497 -15.966 5.021 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.300 -18.788 5.032 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.343 -17.539 2.658 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -3.612 -17.795 2.756 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.807 -20.125 2.695 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.458 -20.112 3.284 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -3.362 -19.559 0.482 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.633 -19.678 -0.739 1.00 0.00 H new ATOM 1440 N THR A 91 -2.703 -19.415 5.067 1.00 0.00 N ATOM 1441 CA THR A 91 -1.381 -19.730 5.594 1.00 0.00 C ATOM 1442 C THR A 91 -0.292 -19.407 4.578 1.00 0.00 C ATOM 1443 O THR A 91 0.860 -19.172 4.941 1.00 0.00 O ATOM 1444 CB THR A 91 -1.273 -21.214 5.990 1.00 0.00 C ATOM 1445 OG1 THR A 91 -2.242 -21.524 6.998 1.00 0.00 O ATOM 1446 CG2 THR A 91 0.121 -21.538 6.504 1.00 0.00 C ATOM 0 H THR A 91 -3.155 -20.185 4.574 1.00 0.00 H new ATOM 0 HA THR A 91 -1.240 -19.113 6.482 1.00 0.00 H new ATOM 0 HB THR A 91 -1.465 -21.818 5.103 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.168 -22.470 7.243 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.172 -22.592 6.777 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.854 -21.329 5.725 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.338 -20.925 7.379 1.00 0.00 H new ATOM 1454 N GLY A 92 -0.665 -19.396 3.301 1.00 0.00 N ATOM 1455 CA GLY A 92 0.293 -19.100 2.251 1.00 0.00 C ATOM 1456 C GLY A 92 0.632 -17.624 2.176 1.00 0.00 C ATOM 1457 O GLY A 92 -0.190 -16.812 1.754 1.00 0.00 O ATOM 0 H GLY A 92 -1.613 -19.587 2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.205 -19.671 2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.110 -19.426 1.292 1.00 0.00 H new ATOM 1461 N GLY A 93 1.848 -17.276 2.588 1.00 0.00 N ATOM 1462 CA GLY A 93 2.272 -15.889 2.559 1.00 0.00 C ATOM 1463 C GLY A 93 3.772 -15.738 2.714 1.00 0.00 C ATOM 1464 O GLY A 93 4.468 -16.695 3.053 1.00 0.00 O ATOM 0 H GLY A 93 2.546 -17.930 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.960 -15.436 1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.770 -15.342 3.357 1.00 0.00 H new ATOM 1468 N VAL A 94 4.273 -14.532 2.465 1.00 0.00 N ATOM 1469 CA VAL A 94 5.701 -14.259 2.579 1.00 0.00 C ATOM 1470 C VAL A 94 5.994 -13.358 3.773 1.00 0.00 C ATOM 1471 O VAL A 94 5.684 -12.166 3.756 1.00 0.00 O ATOM 1472 CB VAL A 94 6.248 -13.595 1.301 1.00 0.00 C ATOM 1473 CG1 VAL A 94 6.364 -14.613 0.177 1.00 0.00 C ATOM 1474 CG2 VAL A 94 5.364 -12.428 0.886 1.00 0.00 C ATOM 0 H VAL A 94 3.711 -13.729 2.183 1.00 0.00 H new ATOM 0 HA VAL A 94 6.197 -15.219 2.722 1.00 0.00 H new ATOM 0 HB VAL A 94 7.245 -13.208 1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.752 -14.125 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.042 -15.412 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.381 -15.033 -0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.766 -11.971 -0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.353 -12.788 0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.339 -11.688 1.686 1.00 0.00 H new ATOM 1484 N TYR A 95 6.595 -13.934 4.808 1.00 0.00 N ATOM 1485 CA TYR A 95 6.929 -13.184 6.013 1.00 0.00 C ATOM 1486 C TYR A 95 8.430 -13.226 6.282 1.00 0.00 C ATOM 1487 O TYR A 95 9.154 -14.027 5.692 1.00 0.00 O ATOM 1488 CB TYR A 95 6.168 -13.744 7.215 1.00 0.00 C ATOM 1489 CG TYR A 95 6.585 -15.146 7.596 1.00 0.00 C ATOM 1490 CD1 TYR A 95 7.696 -15.368 8.400 1.00 0.00 C ATOM 1491 CD2 TYR A 95 5.868 -16.250 7.151 1.00 0.00 C ATOM 1492 CE1 TYR A 95 8.081 -16.647 8.750 1.00 0.00 C ATOM 1493 CE2 TYR A 95 6.245 -17.533 7.497 1.00 0.00 C ATOM 1494 CZ TYR A 95 7.352 -17.727 8.297 1.00 0.00 C ATOM 1495 OH TYR A 95 7.731 -19.004 8.642 1.00 0.00 O ATOM 0 H TYR A 95 6.861 -14.918 4.837 1.00 0.00 H new ATOM 0 HA TYR A 95 6.635 -12.146 5.857 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.319 -13.084 8.069 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.101 -13.739 6.993 1.00 0.00 H new ATOM 0 HD1 TYR A 95 8.269 -14.525 8.758 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.001 -16.102 6.524 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.948 -16.801 9.375 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.676 -18.380 7.143 1.00 0.00 H new ATOM 0 HH TYR A 95 7.111 -19.649 8.242 1.00 0.00 H new TER 1505 TYR A 95