USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 788 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 SER OG : rot 115:sc= 0.129 USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0.0793 USER MOD Set 2.1: A 3 THR OG1 : rot 102:sc= 0.502 USER MOD Set 2.2: A 77 THR OG1 : rot 180:sc= 0.333 USER MOD Set 3.1: A 59 CYS SG : rot 21:sc=0.000683 USER MOD Set 3.2: A 69 TYR OH : rot 78:sc= 0.294 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.0139 (180deg=-0.198) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0284 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00797) USER MOD Single : A 12 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.466) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 156:sc=-0.00332 (180deg=-0.372) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.863 K(o=-0.86,f=-2.9!) USER MOD Single : A 36 THR OG1 : rot -108:sc= 1.1 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot -71:sc= 1.25 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-2.6) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -139:sc= -0.19 (180deg=-1.15) USER MOD Single : A 60 HIS : no HD1:sc= -2.8! C(o=-2.8!,f=-4.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0323) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.96) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.358 -6.691 13.061 1.00 0.00 N ATOM 2 CA MET A 1 0.045 -6.267 13.311 1.00 0.00 C ATOM 3 C MET A 1 1.021 -7.063 12.450 1.00 0.00 C ATOM 4 O MET A 1 1.183 -8.270 12.631 1.00 0.00 O ATOM 5 CB MET A 1 0.359 -6.472 14.794 1.00 0.00 C ATOM 6 CG MET A 1 1.122 -5.313 15.420 1.00 0.00 C ATOM 7 SD MET A 1 0.119 -4.365 16.580 1.00 0.00 S ATOM 8 CE MET A 1 0.818 -4.895 18.142 1.00 0.00 C ATOM 0 H1 MET A 1 -1.973 -6.316 13.811 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.673 -6.324 12.140 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.411 -7.730 13.057 1.00 0.00 H new ATOM 0 HA MET A 1 0.155 -5.215 13.046 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.574 -6.618 15.338 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.942 -7.386 14.911 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.001 -5.699 15.937 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.481 -4.652 14.631 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.301 -4.394 18.961 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.702 -5.974 18.245 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.877 -4.640 18.172 1.00 0.00 H new ATOM 20 N LEU A 2 1.668 -6.378 11.512 1.00 0.00 N ATOM 21 CA LEU A 2 2.628 -7.021 10.622 1.00 0.00 C ATOM 22 C LEU A 2 3.779 -6.075 10.291 1.00 0.00 C ATOM 23 O LEU A 2 3.588 -4.863 10.186 1.00 0.00 O ATOM 24 CB LEU A 2 1.937 -7.475 9.335 1.00 0.00 C ATOM 25 CG LEU A 2 0.634 -8.252 9.538 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.549 -7.299 9.607 1.00 0.00 C ATOM 27 CD2 LEU A 2 0.441 -9.267 8.423 1.00 0.00 C ATOM 0 H LEU A 2 1.545 -5.379 11.349 1.00 0.00 H new ATOM 0 HA LEU A 2 3.034 -7.893 11.134 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.727 -6.597 8.724 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.630 -8.098 8.769 1.00 0.00 H new ATOM 0 HG LEU A 2 0.696 -8.790 10.484 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -1.467 -7.869 9.752 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.414 -6.611 10.441 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.615 -6.734 8.678 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.490 -9.811 8.583 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.400 -8.751 7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.275 -9.969 8.421 1.00 0.00 H new ATOM 39 N THR A 3 4.971 -6.637 10.127 1.00 0.00 N ATOM 40 CA THR A 3 6.154 -5.845 9.806 1.00 0.00 C ATOM 41 C THR A 3 5.961 -5.088 8.496 1.00 0.00 C ATOM 42 O THR A 3 4.897 -5.154 7.882 1.00 0.00 O ATOM 43 CB THR A 3 7.389 -6.742 9.710 1.00 0.00 C ATOM 44 OG1 THR A 3 7.138 -8.008 10.292 1.00 0.00 O ATOM 45 CG2 THR A 3 8.607 -6.157 10.392 1.00 0.00 C ATOM 0 H THR A 3 5.145 -7.639 10.211 1.00 0.00 H new ATOM 0 HA THR A 3 6.302 -5.122 10.608 1.00 0.00 H new ATOM 0 HB THR A 3 7.597 -6.833 8.644 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.976 -8.667 9.585 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.448 -6.843 10.287 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.858 -5.202 9.931 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.393 -6.004 11.450 1.00 0.00 H new ATOM 53 N ILE A 4 6.999 -4.375 8.072 1.00 0.00 N ATOM 54 CA ILE A 4 6.945 -3.610 6.836 1.00 0.00 C ATOM 55 C ILE A 4 8.139 -3.930 5.941 1.00 0.00 C ATOM 56 O ILE A 4 9.290 -3.780 6.348 1.00 0.00 O ATOM 57 CB ILE A 4 6.919 -2.096 7.113 1.00 0.00 C ATOM 58 CG1 ILE A 4 5.837 -1.761 8.144 1.00 0.00 C ATOM 59 CG2 ILE A 4 6.687 -1.327 5.824 1.00 0.00 C ATOM 60 CD1 ILE A 4 6.361 -1.665 9.559 1.00 0.00 C ATOM 0 H ILE A 4 7.888 -4.312 8.568 1.00 0.00 H new ATOM 0 HA ILE A 4 6.024 -3.895 6.327 1.00 0.00 H new ATOM 0 HB ILE A 4 7.885 -1.799 7.521 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.369 -0.814 7.873 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.060 -2.524 8.104 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.671 -0.258 6.036 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.490 -1.546 5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.733 -1.625 5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.541 -1.425 10.235 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.803 -2.618 9.849 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.118 -0.882 9.615 1.00 0.00 H new ATOM 72 N GLU A 5 7.853 -4.370 4.720 1.00 0.00 N ATOM 73 CA GLU A 5 8.901 -4.710 3.765 1.00 0.00 C ATOM 74 C GLU A 5 8.775 -3.867 2.500 1.00 0.00 C ATOM 75 O GLU A 5 7.750 -3.225 2.272 1.00 0.00 O ATOM 76 CB GLU A 5 8.834 -6.198 3.410 1.00 0.00 C ATOM 77 CG GLU A 5 9.733 -7.071 4.272 1.00 0.00 C ATOM 78 CD GLU A 5 11.198 -6.704 4.143 1.00 0.00 C ATOM 79 OE1 GLU A 5 11.840 -7.157 3.171 1.00 0.00 O ATOM 80 OE2 GLU A 5 11.706 -5.967 5.014 1.00 0.00 O ATOM 0 H GLU A 5 6.904 -4.499 4.369 1.00 0.00 H new ATOM 0 HA GLU A 5 9.865 -4.498 4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.804 -6.541 3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.112 -6.326 2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.430 -6.980 5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.598 -8.115 3.991 1.00 0.00 H new ATOM 87 N THR A 6 9.822 -3.872 1.682 1.00 0.00 N ATOM 88 CA THR A 6 9.824 -3.106 0.442 1.00 0.00 C ATOM 89 C THR A 6 10.355 -3.944 -0.717 1.00 0.00 C ATOM 90 O THR A 6 11.175 -4.841 -0.523 1.00 0.00 O ATOM 91 CB THR A 6 10.669 -1.842 0.599 1.00 0.00 C ATOM 92 OG1 THR A 6 11.972 -2.161 1.050 1.00 0.00 O ATOM 93 CG2 THR A 6 10.077 -0.843 1.570 1.00 0.00 C ATOM 0 H THR A 6 10.679 -4.397 1.855 1.00 0.00 H new ATOM 0 HA THR A 6 8.795 -2.822 0.220 1.00 0.00 H new ATOM 0 HB THR A 6 10.696 -1.389 -0.392 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.497 -1.338 1.142 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.726 0.030 1.635 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.091 -0.537 1.221 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.987 -1.302 2.555 1.00 0.00 H new ATOM 101 N SER A 7 9.879 -3.644 -1.922 1.00 0.00 N ATOM 102 CA SER A 7 10.305 -4.371 -3.112 1.00 0.00 C ATOM 103 C SER A 7 11.260 -3.531 -3.953 1.00 0.00 C ATOM 104 O SER A 7 11.553 -2.383 -3.618 1.00 0.00 O ATOM 105 CB SER A 7 9.090 -4.773 -3.952 1.00 0.00 C ATOM 106 OG SER A 7 9.379 -5.898 -4.765 1.00 0.00 O ATOM 0 H SER A 7 9.200 -2.904 -2.099 1.00 0.00 H new ATOM 0 HA SER A 7 10.830 -5.270 -2.788 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.250 -5.001 -3.296 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.785 -3.936 -4.580 1.00 0.00 H new ATOM 0 HG SER A 7 8.586 -6.135 -5.290 1.00 0.00 H new ATOM 112 N LYS A 8 11.740 -4.111 -5.048 1.00 0.00 N ATOM 113 CA LYS A 8 12.663 -3.418 -5.940 1.00 0.00 C ATOM 114 C LYS A 8 11.958 -2.283 -6.673 1.00 0.00 C ATOM 115 O LYS A 8 12.466 -1.164 -6.742 1.00 0.00 O ATOM 116 CB LYS A 8 13.263 -4.399 -6.949 1.00 0.00 C ATOM 117 CG LYS A 8 13.778 -5.682 -6.315 1.00 0.00 C ATOM 118 CD LYS A 8 15.296 -5.706 -6.255 1.00 0.00 C ATOM 119 CE LYS A 8 15.885 -6.518 -7.397 1.00 0.00 C ATOM 120 NZ LYS A 8 15.994 -7.962 -7.055 1.00 0.00 N ATOM 0 H LYS A 8 11.505 -5.060 -5.339 1.00 0.00 H new ATOM 0 HA LYS A 8 13.465 -2.994 -5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.508 -4.649 -7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.082 -3.910 -7.477 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.372 -5.779 -5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.422 -6.539 -6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.679 -4.686 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.617 -6.129 -5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.262 -6.401 -8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.872 -6.129 -7.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.400 -8.480 -7.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.609 -8.077 -6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.049 -8.340 -6.841 1.00 0.00 H new ATOM 134 N LYS A 9 10.782 -2.577 -7.219 1.00 0.00 N ATOM 135 CA LYS A 9 10.006 -1.581 -7.946 1.00 0.00 C ATOM 136 C LYS A 9 9.481 -0.508 -6.998 1.00 0.00 C ATOM 137 O LYS A 9 9.336 0.654 -7.376 1.00 0.00 O ATOM 138 CB LYS A 9 8.840 -2.246 -8.678 1.00 0.00 C ATOM 139 CG LYS A 9 9.270 -3.356 -9.625 1.00 0.00 C ATOM 140 CD LYS A 9 8.972 -3.004 -11.073 1.00 0.00 C ATOM 141 CE LYS A 9 9.266 -4.172 -12.001 1.00 0.00 C ATOM 142 NZ LYS A 9 8.213 -5.222 -11.924 1.00 0.00 N ATOM 0 H LYS A 9 10.346 -3.498 -7.171 1.00 0.00 H new ATOM 0 HA LYS A 9 10.661 -1.108 -8.678 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.146 -2.655 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.297 -1.488 -9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.338 -3.542 -9.508 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.755 -4.280 -9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.926 -2.715 -11.170 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.570 -2.142 -11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.343 -3.810 -13.026 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.232 -4.607 -11.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.415 -5.968 -12.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.202 -5.633 -10.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.285 -4.799 -12.129 1.00 0.00 H new ATOM 156 N PHE A 10 9.201 -0.908 -5.762 1.00 0.00 N ATOM 157 CA PHE A 10 8.695 0.016 -4.755 1.00 0.00 C ATOM 158 C PHE A 10 9.727 1.092 -4.437 1.00 0.00 C ATOM 159 O PHE A 10 9.393 2.268 -4.296 1.00 0.00 O ATOM 160 CB PHE A 10 8.322 -0.744 -3.480 1.00 0.00 C ATOM 161 CG PHE A 10 7.778 0.136 -2.390 1.00 0.00 C ATOM 162 CD1 PHE A 10 6.506 0.678 -2.489 1.00 0.00 C ATOM 163 CD2 PHE A 10 8.539 0.421 -1.269 1.00 0.00 C ATOM 164 CE1 PHE A 10 6.005 1.488 -1.489 1.00 0.00 C ATOM 165 CE2 PHE A 10 8.042 1.229 -0.264 1.00 0.00 C ATOM 166 CZ PHE A 10 6.773 1.764 -0.374 1.00 0.00 C ATOM 0 H PHE A 10 9.316 -1.867 -5.434 1.00 0.00 H new ATOM 0 HA PHE A 10 7.804 0.501 -5.155 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.581 -1.505 -3.725 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.203 -1.266 -3.108 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.900 0.465 -3.357 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.532 0.007 -1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.013 1.906 -1.578 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.645 1.442 0.606 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.382 2.396 0.410 1.00 0.00 H new ATOM 176 N ASP A 11 10.987 0.681 -4.327 1.00 0.00 N ATOM 177 CA ASP A 11 12.072 1.609 -4.029 1.00 0.00 C ATOM 178 C ASP A 11 12.184 2.681 -5.108 1.00 0.00 C ATOM 179 O ASP A 11 12.184 3.876 -4.811 1.00 0.00 O ATOM 180 CB ASP A 11 13.397 0.854 -3.905 1.00 0.00 C ATOM 181 CG ASP A 11 13.678 0.408 -2.484 1.00 0.00 C ATOM 182 OD1 ASP A 11 14.102 1.255 -1.669 1.00 0.00 O ATOM 183 OD2 ASP A 11 13.475 -0.787 -2.186 1.00 0.00 O ATOM 0 H ASP A 11 11.281 -0.289 -4.440 1.00 0.00 H new ATOM 0 HA ASP A 11 11.849 2.097 -3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.378 -0.018 -4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 11 14.210 1.493 -4.250 1.00 0.00 H new ATOM 188 N LYS A 12 12.275 2.245 -6.360 1.00 0.00 N ATOM 189 CA LYS A 12 12.387 3.167 -7.485 1.00 0.00 C ATOM 190 C LYS A 12 11.081 3.931 -7.708 1.00 0.00 C ATOM 191 O LYS A 12 11.046 4.906 -8.458 1.00 0.00 O ATOM 192 CB LYS A 12 12.771 2.409 -8.758 1.00 0.00 C ATOM 193 CG LYS A 12 11.761 1.348 -9.165 1.00 0.00 C ATOM 194 CD LYS A 12 12.322 0.432 -10.241 1.00 0.00 C ATOM 195 CE LYS A 12 11.907 0.883 -11.633 1.00 0.00 C ATOM 196 NZ LYS A 12 11.529 -0.265 -12.500 1.00 0.00 N ATOM 0 H LYS A 12 12.273 1.259 -6.621 1.00 0.00 H new ATOM 0 HA LYS A 12 13.169 3.889 -7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.885 3.122 -9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.742 1.936 -8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.480 0.758 -8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.854 1.829 -9.531 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.410 0.414 -10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.975 -0.587 -10.069 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.065 1.571 -11.555 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.727 1.433 -12.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.727 -0.030 -13.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.080 -1.103 -12.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.515 -0.466 -12.387 1.00 0.00 H new ATOM 210 N ASP A 13 10.010 3.483 -7.058 1.00 0.00 N ATOM 211 CA ASP A 13 8.708 4.130 -7.192 1.00 0.00 C ATOM 212 C ASP A 13 8.524 5.226 -6.144 1.00 0.00 C ATOM 213 O ASP A 13 7.736 6.152 -6.337 1.00 0.00 O ATOM 214 CB ASP A 13 7.589 3.094 -7.064 1.00 0.00 C ATOM 215 CG ASP A 13 7.147 2.552 -8.410 1.00 0.00 C ATOM 216 OD1 ASP A 13 6.649 3.346 -9.236 1.00 0.00 O ATOM 217 OD2 ASP A 13 7.298 1.333 -8.638 1.00 0.00 O ATOM 0 H ASP A 13 10.018 2.676 -6.434 1.00 0.00 H new ATOM 0 HA ASP A 13 8.662 4.591 -8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.930 2.270 -6.438 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.735 3.546 -6.559 1.00 0.00 H new ATOM 222 N LEU A 14 9.246 5.112 -5.034 1.00 0.00 N ATOM 223 CA LEU A 14 9.150 6.093 -3.957 1.00 0.00 C ATOM 224 C LEU A 14 10.154 7.227 -4.146 1.00 0.00 C ATOM 225 O LEU A 14 9.819 8.400 -3.977 1.00 0.00 O ATOM 226 CB LEU A 14 9.373 5.414 -2.603 1.00 0.00 C ATOM 227 CG LEU A 14 8.279 5.666 -1.564 1.00 0.00 C ATOM 228 CD1 LEU A 14 6.984 4.989 -1.980 1.00 0.00 C ATOM 229 CD2 LEU A 14 8.724 5.175 -0.193 1.00 0.00 C ATOM 0 H LEU A 14 9.903 4.352 -4.856 1.00 0.00 H new ATOM 0 HA LEU A 14 8.148 6.522 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.460 4.339 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.325 5.754 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 14 8.101 6.740 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.217 5.179 -1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.658 5.387 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.147 3.915 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.934 5.362 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.930 4.106 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.627 5.706 0.108 1.00 0.00 H new ATOM 241 N LYS A 15 11.389 6.871 -4.490 1.00 0.00 N ATOM 242 CA LYS A 15 12.445 7.862 -4.692 1.00 0.00 C ATOM 243 C LYS A 15 12.017 8.938 -5.689 1.00 0.00 C ATOM 244 O LYS A 15 12.531 10.056 -5.662 1.00 0.00 O ATOM 245 CB LYS A 15 13.724 7.181 -5.182 1.00 0.00 C ATOM 246 CG LYS A 15 13.485 6.132 -6.257 1.00 0.00 C ATOM 247 CD LYS A 15 14.362 6.370 -7.475 1.00 0.00 C ATOM 248 CE LYS A 15 15.700 5.659 -7.347 1.00 0.00 C ATOM 249 NZ LYS A 15 16.789 6.395 -8.045 1.00 0.00 N ATOM 0 H LYS A 15 11.684 5.905 -4.635 1.00 0.00 H new ATOM 0 HA LYS A 15 12.636 8.343 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.403 7.940 -5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.223 6.712 -4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.687 5.141 -5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.436 6.147 -6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.847 6.020 -8.369 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.528 7.440 -7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.954 5.550 -6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.618 4.654 -7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.684 5.878 -7.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.560 6.477 -9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.885 7.345 -7.633 1.00 0.00 H new ATOM 263 N ILE A 16 11.079 8.597 -6.563 1.00 0.00 N ATOM 264 CA ILE A 16 10.591 9.539 -7.563 1.00 0.00 C ATOM 265 C ILE A 16 9.559 10.492 -6.967 1.00 0.00 C ATOM 266 O ILE A 16 9.417 11.628 -7.421 1.00 0.00 O ATOM 267 CB ILE A 16 9.965 8.806 -8.766 1.00 0.00 C ATOM 268 CG1 ILE A 16 10.937 7.762 -9.316 1.00 0.00 C ATOM 269 CG2 ILE A 16 9.577 9.800 -9.852 1.00 0.00 C ATOM 270 CD1 ILE A 16 12.191 8.358 -9.921 1.00 0.00 C ATOM 0 H ILE A 16 10.641 7.677 -6.600 1.00 0.00 H new ATOM 0 HA ILE A 16 11.453 10.112 -7.904 1.00 0.00 H new ATOM 0 HB ILE A 16 9.063 8.295 -8.430 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.220 7.082 -8.512 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.427 7.166 -10.073 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.137 9.266 -10.694 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.852 10.510 -9.453 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.464 10.337 -10.187 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.833 7.558 -10.290 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.919 9.016 -10.747 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.725 8.930 -9.162 1.00 0.00 H new ATOM 282 N LEU A 17 8.841 10.025 -5.953 1.00 0.00 N ATOM 283 CA LEU A 17 7.823 10.840 -5.300 1.00 0.00 C ATOM 284 C LEU A 17 8.430 11.687 -4.186 1.00 0.00 C ATOM 285 O LEU A 17 8.048 12.841 -3.992 1.00 0.00 O ATOM 286 CB LEU A 17 6.712 9.952 -4.736 1.00 0.00 C ATOM 287 CG LEU A 17 5.658 9.510 -5.753 1.00 0.00 C ATOM 288 CD1 LEU A 17 4.728 8.474 -5.141 1.00 0.00 C ATOM 289 CD2 LEU A 17 4.868 10.709 -6.258 1.00 0.00 C ATOM 0 H LEU A 17 8.944 9.087 -5.565 1.00 0.00 H new ATOM 0 HA LEU A 17 7.399 11.510 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.166 9.064 -4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.214 10.488 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 17 6.168 9.054 -6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.985 8.171 -5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.307 7.604 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.225 8.903 -4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.123 10.376 -6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.369 11.195 -5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.546 11.416 -6.736 1.00 0.00 H new ATOM 301 N VAL A 18 9.380 11.109 -3.457 1.00 0.00 N ATOM 302 CA VAL A 18 10.038 11.814 -2.364 1.00 0.00 C ATOM 303 C VAL A 18 10.722 13.084 -2.864 1.00 0.00 C ATOM 304 O VAL A 18 10.679 14.123 -2.205 1.00 0.00 O ATOM 305 CB VAL A 18 11.080 10.920 -1.663 1.00 0.00 C ATOM 306 CG1 VAL A 18 12.182 10.517 -2.630 1.00 0.00 C ATOM 307 CG2 VAL A 18 11.658 11.624 -0.444 1.00 0.00 C ATOM 0 H VAL A 18 9.711 10.155 -3.604 1.00 0.00 H new ATOM 0 HA VAL A 18 9.263 12.081 -1.646 1.00 0.00 H new ATOM 0 HB VAL A 18 10.580 10.013 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.906 9.887 -2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.750 9.965 -3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.681 11.410 -3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.391 10.976 0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.140 12.551 -0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.857 11.850 0.260 1.00 0.00 H new ATOM 317 N LYS A 19 11.348 12.991 -4.032 1.00 0.00 N ATOM 318 CA LYS A 19 12.037 14.133 -4.620 1.00 0.00 C ATOM 319 C LYS A 19 11.042 15.211 -5.037 1.00 0.00 C ATOM 320 O LYS A 19 11.359 16.400 -5.030 1.00 0.00 O ATOM 321 CB LYS A 19 12.863 13.690 -5.830 1.00 0.00 C ATOM 322 CG LYS A 19 13.732 14.793 -6.411 1.00 0.00 C ATOM 323 CD LYS A 19 15.092 14.265 -6.839 1.00 0.00 C ATOM 324 CE LYS A 19 16.013 14.058 -5.648 1.00 0.00 C ATOM 325 NZ LYS A 19 16.202 12.614 -5.335 1.00 0.00 N ATOM 0 H LYS A 19 11.392 12.138 -4.589 1.00 0.00 H new ATOM 0 HA LYS A 19 12.705 14.551 -3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.499 12.854 -5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.189 13.324 -6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.229 15.241 -7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.864 15.582 -5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.966 13.322 -7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.551 14.965 -7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.981 14.514 -5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.600 14.567 -4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.100 12.484 -4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.416 12.282 -4.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.223 12.067 -6.219 1.00 0.00 H new ATOM 339 N ASN A 20 9.833 14.787 -5.399 1.00 0.00 N ATOM 340 CA ASN A 20 8.791 15.716 -5.816 1.00 0.00 C ATOM 341 C ASN A 20 7.801 15.969 -4.681 1.00 0.00 C ATOM 342 O ASN A 20 6.631 16.267 -4.920 1.00 0.00 O ATOM 343 CB ASN A 20 8.054 15.172 -7.041 1.00 0.00 C ATOM 344 CG ASN A 20 8.595 15.739 -8.339 1.00 0.00 C ATOM 345 OD1 ASN A 20 8.396 16.914 -8.647 1.00 0.00 O ATOM 346 ND2 ASN A 20 9.285 14.904 -9.108 1.00 0.00 N ATOM 0 H ASN A 20 9.553 13.806 -5.411 1.00 0.00 H new ATOM 0 HA ASN A 20 9.265 16.662 -6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.138 14.085 -7.059 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.993 15.409 -6.958 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.674 15.229 -9.993 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.426 13.938 -8.813 1.00 0.00 H new ATOM 353 N GLY A 21 8.280 15.849 -3.447 1.00 0.00 N ATOM 354 CA GLY A 21 7.425 16.070 -2.296 1.00 0.00 C ATOM 355 C GLY A 21 6.617 14.841 -1.923 1.00 0.00 C ATOM 356 O GLY A 21 5.620 14.525 -2.571 1.00 0.00 O ATOM 0 H GLY A 21 9.244 15.603 -3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.038 16.369 -1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.746 16.896 -2.506 1.00 0.00 H new ATOM 360 N PHE A 22 7.050 14.147 -0.875 1.00 0.00 N ATOM 361 CA PHE A 22 6.361 12.947 -0.413 1.00 0.00 C ATOM 362 C PHE A 22 7.001 12.410 0.862 1.00 0.00 C ATOM 363 O PHE A 22 6.305 11.972 1.779 1.00 0.00 O ATOM 364 CB PHE A 22 6.380 11.870 -1.501 1.00 0.00 C ATOM 365 CG PHE A 22 5.528 10.676 -1.176 1.00 0.00 C ATOM 366 CD1 PHE A 22 4.150 10.793 -1.097 1.00 0.00 C ATOM 367 CD2 PHE A 22 6.107 9.438 -0.950 1.00 0.00 C ATOM 368 CE1 PHE A 22 3.364 9.695 -0.800 1.00 0.00 C ATOM 369 CE2 PHE A 22 5.326 8.337 -0.652 1.00 0.00 C ATOM 370 CZ PHE A 22 3.953 8.466 -0.576 1.00 0.00 C ATOM 0 H PHE A 22 7.875 14.395 -0.329 1.00 0.00 H new ATOM 0 HA PHE A 22 5.327 13.214 -0.195 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.038 12.306 -2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.407 11.542 -1.658 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.685 11.752 -1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.180 9.332 -1.007 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.290 9.798 -0.743 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.789 7.377 -0.479 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.341 7.607 -0.342 1.00 0.00 H new ATOM 380 N ASP A 23 8.328 12.449 0.915 1.00 0.00 N ATOM 381 CA ASP A 23 9.061 11.966 2.081 1.00 0.00 C ATOM 382 C ASP A 23 8.761 10.493 2.341 1.00 0.00 C ATOM 383 O ASP A 23 7.905 9.898 1.686 1.00 0.00 O ATOM 384 CB ASP A 23 8.703 12.799 3.314 1.00 0.00 C ATOM 385 CG ASP A 23 9.931 13.259 4.075 1.00 0.00 C ATOM 386 OD1 ASP A 23 10.960 13.546 3.427 1.00 0.00 O ATOM 387 OD2 ASP A 23 9.864 13.332 5.321 1.00 0.00 O ATOM 0 H ASP A 23 8.918 12.810 0.165 1.00 0.00 H new ATOM 0 HA ASP A 23 10.127 12.069 1.879 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.122 13.669 3.006 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.068 12.210 3.976 1.00 0.00 H new ATOM 392 N LEU A 24 9.469 9.911 3.303 1.00 0.00 N ATOM 393 CA LEU A 24 9.277 8.507 3.651 1.00 0.00 C ATOM 394 C LEU A 24 8.799 8.359 5.095 1.00 0.00 C ATOM 395 O LEU A 24 8.877 7.273 5.673 1.00 0.00 O ATOM 396 CB LEU A 24 10.578 7.728 3.443 1.00 0.00 C ATOM 397 CG LEU A 24 10.533 6.679 2.330 1.00 0.00 C ATOM 398 CD1 LEU A 24 10.777 7.326 0.977 1.00 0.00 C ATOM 399 CD2 LEU A 24 11.553 5.581 2.591 1.00 0.00 C ATOM 0 H LEU A 24 10.181 10.389 3.856 1.00 0.00 H new ATOM 0 HA LEU A 24 8.508 8.097 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.376 8.436 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.841 7.233 4.378 1.00 0.00 H new ATOM 0 HG LEU A 24 9.540 6.229 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.741 6.565 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.008 8.075 0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.757 7.803 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.507 4.844 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.552 6.014 2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.331 5.097 3.542 1.00 0.00 H new ATOM 411 N LYS A 25 8.305 9.450 5.673 1.00 0.00 N ATOM 412 CA LYS A 25 7.815 9.431 7.045 1.00 0.00 C ATOM 413 C LYS A 25 6.331 9.084 7.087 1.00 0.00 C ATOM 414 O LYS A 25 5.859 8.438 8.024 1.00 0.00 O ATOM 415 CB LYS A 25 8.057 10.788 7.714 1.00 0.00 C ATOM 416 CG LYS A 25 8.919 10.704 8.963 1.00 0.00 C ATOM 417 CD LYS A 25 10.392 10.899 8.638 1.00 0.00 C ATOM 418 CE LYS A 25 11.271 9.970 9.458 1.00 0.00 C ATOM 419 NZ LYS A 25 11.720 10.606 10.727 1.00 0.00 N ATOM 0 H LYS A 25 8.234 10.357 5.212 1.00 0.00 H new ATOM 0 HA LYS A 25 8.363 8.663 7.591 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.534 11.457 6.998 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.096 11.232 7.975 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.600 11.462 9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.776 9.735 9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.559 10.716 7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.674 11.934 8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.721 9.056 9.685 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.141 9.681 8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.317 9.940 11.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.266 11.464 10.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.890 10.859 11.301 1.00 0.00 H new ATOM 433 N LEU A 26 5.599 9.518 6.067 1.00 0.00 N ATOM 434 CA LEU A 26 4.167 9.255 5.986 1.00 0.00 C ATOM 435 C LEU A 26 3.893 7.760 5.849 1.00 0.00 C ATOM 436 O LEU A 26 2.855 7.266 6.287 1.00 0.00 O ATOM 437 CB LEU A 26 3.554 10.007 4.804 1.00 0.00 C ATOM 438 CG LEU A 26 4.188 9.707 3.444 1.00 0.00 C ATOM 439 CD1 LEU A 26 3.691 8.372 2.905 1.00 0.00 C ATOM 440 CD2 LEU A 26 3.887 10.827 2.459 1.00 0.00 C ATOM 0 H LEU A 26 5.974 10.054 5.284 1.00 0.00 H new ATOM 0 HA LEU A 26 3.707 9.607 6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.492 9.768 4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.631 11.077 4.995 1.00 0.00 H new ATOM 0 HG LEU A 26 5.268 9.643 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.153 8.176 1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.956 7.577 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.608 8.407 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.345 10.598 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.808 10.922 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.292 11.765 2.840 1.00 0.00 H new ATOM 452 N LEU A 27 4.831 7.044 5.235 1.00 0.00 N ATOM 453 CA LEU A 27 4.688 5.606 5.040 1.00 0.00 C ATOM 454 C LEU A 27 4.847 4.859 6.361 1.00 0.00 C ATOM 455 O LEU A 27 4.173 3.859 6.604 1.00 0.00 O ATOM 456 CB LEU A 27 5.720 5.101 4.029 1.00 0.00 C ATOM 457 CG LEU A 27 5.518 3.659 3.563 1.00 0.00 C ATOM 458 CD1 LEU A 27 4.751 3.625 2.250 1.00 0.00 C ATOM 459 CD2 LEU A 27 6.856 2.951 3.417 1.00 0.00 C ATOM 0 H LEU A 27 5.697 7.436 4.865 1.00 0.00 H new ATOM 0 HA LEU A 27 3.687 5.416 4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.701 5.754 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.712 5.188 4.472 1.00 0.00 H new ATOM 0 HG LEU A 27 4.933 3.134 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.617 2.591 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.776 4.092 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.310 4.168 1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.691 1.926 3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.468 3.476 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.370 2.942 4.378 1.00 0.00 H new ATOM 471 N TYR A 28 5.742 5.352 7.209 1.00 0.00 N ATOM 472 CA TYR A 28 5.990 4.731 8.505 1.00 0.00 C ATOM 473 C TYR A 28 4.873 5.065 9.491 1.00 0.00 C ATOM 474 O TYR A 28 4.600 4.300 10.416 1.00 0.00 O ATOM 475 CB TYR A 28 7.336 5.191 9.066 1.00 0.00 C ATOM 476 CG TYR A 28 8.477 4.250 8.747 1.00 0.00 C ATOM 477 CD1 TYR A 28 8.622 3.048 9.430 1.00 0.00 C ATOM 478 CD2 TYR A 28 9.408 4.563 7.764 1.00 0.00 C ATOM 479 CE1 TYR A 28 9.663 2.185 9.143 1.00 0.00 C ATOM 480 CE2 TYR A 28 10.450 3.705 7.470 1.00 0.00 C ATOM 481 CZ TYR A 28 10.573 2.519 8.162 1.00 0.00 C ATOM 482 OH TYR A 28 11.612 1.661 7.873 1.00 0.00 O ATOM 0 H TYR A 28 6.308 6.180 7.023 1.00 0.00 H new ATOM 0 HA TYR A 28 6.014 3.651 8.363 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.568 6.179 8.668 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.253 5.295 10.148 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.910 2.784 10.198 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.315 5.492 7.221 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.763 1.255 9.683 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.165 3.962 6.702 1.00 0.00 H new ATOM 0 HH TYR A 28 12.162 2.043 7.158 1.00 0.00 H new ATOM 492 N LYS A 29 4.233 6.213 9.290 1.00 0.00 N ATOM 493 CA LYS A 29 3.149 6.647 10.163 1.00 0.00 C ATOM 494 C LYS A 29 1.812 6.075 9.700 1.00 0.00 C ATOM 495 O LYS A 29 0.925 5.812 10.511 1.00 0.00 O ATOM 496 CB LYS A 29 3.080 8.176 10.203 1.00 0.00 C ATOM 497 CG LYS A 29 3.007 8.745 11.611 1.00 0.00 C ATOM 498 CD LYS A 29 3.643 10.125 11.687 1.00 0.00 C ATOM 499 CE LYS A 29 4.549 10.255 12.901 1.00 0.00 C ATOM 500 NZ LYS A 29 4.562 11.643 13.439 1.00 0.00 N ATOM 0 H LYS A 29 4.447 6.859 8.530 1.00 0.00 H new ATOM 0 HA LYS A 29 3.352 6.273 11.167 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.957 8.584 9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.207 8.507 9.641 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.966 8.805 11.927 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.512 8.072 12.304 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.219 10.312 10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.862 10.885 11.731 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.215 9.568 13.678 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.563 9.961 12.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.191 11.689 14.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.905 12.296 12.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.599 11.915 13.722 1.00 0.00 H new ATOM 514 N VAL A 30 1.677 5.887 8.391 1.00 0.00 N ATOM 515 CA VAL A 30 0.447 5.349 7.823 1.00 0.00 C ATOM 516 C VAL A 30 0.361 3.832 8.000 1.00 0.00 C ATOM 517 O VAL A 30 -0.651 3.217 7.660 1.00 0.00 O ATOM 518 CB VAL A 30 0.322 5.689 6.324 1.00 0.00 C ATOM 519 CG1 VAL A 30 1.434 5.027 5.526 1.00 0.00 C ATOM 520 CG2 VAL A 30 -1.043 5.277 5.794 1.00 0.00 C ATOM 0 H VAL A 30 2.402 6.099 7.706 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.375 5.817 8.366 1.00 0.00 H new ATOM 0 HB VAL A 30 0.421 6.768 6.209 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.326 5.281 4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.400 5.380 5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.374 3.945 5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.112 5.525 4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.175 4.203 5.925 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.821 5.807 6.342 1.00 0.00 H new ATOM 530 N VAL A 31 1.426 3.230 8.530 1.00 0.00 N ATOM 531 CA VAL A 31 1.460 1.787 8.747 1.00 0.00 C ATOM 532 C VAL A 31 0.250 1.317 9.547 1.00 0.00 C ATOM 533 O VAL A 31 -0.359 0.296 9.230 1.00 0.00 O ATOM 534 CB VAL A 31 2.744 1.362 9.483 1.00 0.00 C ATOM 535 CG1 VAL A 31 3.968 1.631 8.620 1.00 0.00 C ATOM 536 CG2 VAL A 31 2.857 2.078 10.820 1.00 0.00 C ATOM 0 H VAL A 31 2.274 3.720 8.816 1.00 0.00 H new ATOM 0 HA VAL A 31 1.440 1.321 7.762 1.00 0.00 H new ATOM 0 HB VAL A 31 2.692 0.290 9.676 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.866 1.324 9.156 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.890 1.066 7.691 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.027 2.696 8.393 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.771 1.764 11.325 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.885 3.155 10.655 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.996 1.829 11.440 1.00 0.00 H new ATOM 546 N GLY A 32 -0.095 2.073 10.585 1.00 0.00 N ATOM 547 CA GLY A 32 -1.234 1.718 11.413 1.00 0.00 C ATOM 548 C GLY A 32 -2.542 1.758 10.646 1.00 0.00 C ATOM 549 O GLY A 32 -3.491 1.054 10.989 1.00 0.00 O ATOM 0 H GLY A 32 0.393 2.923 10.867 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.086 0.718 11.821 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.291 2.402 12.260 1.00 0.00 H new ATOM 553 N ASN A 33 -2.591 2.585 9.607 1.00 0.00 N ATOM 554 CA ASN A 33 -3.792 2.716 8.788 1.00 0.00 C ATOM 555 C ASN A 33 -3.830 1.653 7.693 1.00 0.00 C ATOM 556 O ASN A 33 -4.897 1.325 7.174 1.00 0.00 O ATOM 557 CB ASN A 33 -3.858 4.111 8.164 1.00 0.00 C ATOM 558 CG ASN A 33 -4.655 5.086 9.007 1.00 0.00 C ATOM 559 OD1 ASN A 33 -5.402 4.684 9.900 1.00 0.00 O ATOM 560 ND2 ASN A 33 -4.500 6.375 8.731 1.00 0.00 N ATOM 0 H ASN A 33 -1.813 3.175 9.312 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.657 2.572 9.435 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.846 4.494 8.030 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.306 4.041 7.173 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.010 7.076 9.268 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.871 6.664 7.982 1.00 0.00 H new ATOM 567 N LEU A 34 -2.662 1.119 7.346 1.00 0.00 N ATOM 568 CA LEU A 34 -2.570 0.095 6.311 1.00 0.00 C ATOM 569 C LEU A 34 -3.030 -1.260 6.843 1.00 0.00 C ATOM 570 O LEU A 34 -3.833 -1.946 6.212 1.00 0.00 O ATOM 571 CB LEU A 34 -1.136 -0.009 5.791 1.00 0.00 C ATOM 572 CG LEU A 34 -0.624 1.227 5.049 1.00 0.00 C ATOM 573 CD1 LEU A 34 0.791 0.998 4.543 1.00 0.00 C ATOM 574 CD2 LEU A 34 -1.553 1.580 3.897 1.00 0.00 C ATOM 0 H LEU A 34 -1.769 1.378 7.765 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.226 0.385 5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.474 -0.208 6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.069 -0.868 5.123 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.607 2.065 5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.138 1.888 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.450 0.794 5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.800 0.148 3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.173 2.462 3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.602 0.744 3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.550 1.788 4.284 1.00 0.00 H new ATOM 586 N ALA A 35 -2.512 -1.639 8.008 1.00 0.00 N ATOM 587 CA ALA A 35 -2.867 -2.912 8.624 1.00 0.00 C ATOM 588 C ALA A 35 -4.334 -2.934 9.039 1.00 0.00 C ATOM 589 O ALA A 35 -4.999 -3.968 8.951 1.00 0.00 O ATOM 590 CB ALA A 35 -1.973 -3.181 9.825 1.00 0.00 C ATOM 0 H ALA A 35 -1.846 -1.083 8.543 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.716 -3.699 7.886 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.248 -4.134 10.277 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.932 -3.218 9.503 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.098 -2.383 10.557 1.00 0.00 H new ATOM 596 N THR A 36 -4.834 -1.789 9.493 1.00 0.00 N ATOM 597 CA THR A 36 -6.224 -1.679 9.922 1.00 0.00 C ATOM 598 C THR A 36 -7.131 -1.323 8.749 1.00 0.00 C ATOM 599 O THR A 36 -8.217 -1.881 8.601 1.00 0.00 O ATOM 600 CB THR A 36 -6.357 -0.625 11.023 1.00 0.00 C ATOM 601 OG1 THR A 36 -5.953 0.647 10.551 1.00 0.00 O ATOM 602 CG2 THR A 36 -5.538 -0.939 12.256 1.00 0.00 C ATOM 0 H THR A 36 -4.298 -0.925 9.573 1.00 0.00 H new ATOM 0 HA THR A 36 -6.534 -2.647 10.315 1.00 0.00 H new ATOM 0 HB THR A 36 -7.412 -0.627 11.298 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.098 0.892 10.962 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.678 -0.151 12.996 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.861 -1.892 12.674 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.484 -1.000 11.987 1.00 0.00 H new ATOM 610 N GLU A 37 -6.674 -0.392 7.918 1.00 0.00 N ATOM 611 CA GLU A 37 -7.443 0.040 6.757 1.00 0.00 C ATOM 612 C GLU A 37 -8.769 0.662 7.184 1.00 0.00 C ATOM 613 O GLU A 37 -9.839 0.212 6.776 1.00 0.00 O ATOM 614 CB GLU A 37 -7.696 -1.145 5.820 1.00 0.00 C ATOM 615 CG GLU A 37 -6.424 -1.779 5.284 1.00 0.00 C ATOM 616 CD GLU A 37 -6.634 -2.469 3.951 1.00 0.00 C ATOM 617 OE1 GLU A 37 -7.211 -1.838 3.039 1.00 0.00 O ATOM 618 OE2 GLU A 37 -6.222 -3.641 3.817 1.00 0.00 O ATOM 0 H GLU A 37 -5.775 0.078 8.027 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.864 0.796 6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.273 -1.902 6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.307 -0.810 4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.658 -1.011 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.050 -2.502 6.008 1.00 0.00 H new ATOM 625 N GLN A 38 -8.690 1.699 8.012 1.00 0.00 N ATOM 626 CA GLN A 38 -9.885 2.381 8.499 1.00 0.00 C ATOM 627 C GLN A 38 -10.309 3.507 7.555 1.00 0.00 C ATOM 628 O GLN A 38 -11.467 3.576 7.143 1.00 0.00 O ATOM 629 CB GLN A 38 -9.656 2.943 9.909 1.00 0.00 C ATOM 630 CG GLN A 38 -8.526 2.265 10.670 1.00 0.00 C ATOM 631 CD GLN A 38 -8.667 2.411 12.172 1.00 0.00 C ATOM 632 OE1 GLN A 38 -8.823 1.423 12.891 1.00 0.00 O ATOM 633 NE2 GLN A 38 -8.612 3.647 12.655 1.00 0.00 N ATOM 0 H GLN A 38 -7.812 2.085 8.360 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.687 1.644 8.537 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.441 4.009 9.834 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.577 2.843 10.483 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.503 1.206 10.412 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.573 2.691 10.355 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.481 4.436 12.022 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.700 3.807 13.659 1.00 0.00 H new ATOM 642 N PRO A 39 -9.378 4.414 7.203 1.00 0.00 N ATOM 643 CA PRO A 39 -9.679 5.536 6.313 1.00 0.00 C ATOM 644 C PRO A 39 -9.690 5.132 4.835 1.00 0.00 C ATOM 645 O PRO A 39 -10.721 4.698 4.318 1.00 0.00 O ATOM 646 CB PRO A 39 -8.557 6.529 6.622 1.00 0.00 C ATOM 647 CG PRO A 39 -7.401 5.690 7.060 1.00 0.00 C ATOM 648 CD PRO A 39 -7.972 4.423 7.650 1.00 0.00 C ATOM 0 HA PRO A 39 -10.676 5.944 6.478 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.303 7.122 5.743 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.854 7.228 7.403 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.749 5.463 6.217 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.797 6.220 7.797 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.436 3.542 7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.900 4.423 8.738 1.00 0.00 H new ATOM 656 N LEU A 40 -8.554 5.276 4.151 1.00 0.00 N ATOM 657 CA LEU A 40 -8.463 4.924 2.738 1.00 0.00 C ATOM 658 C LEU A 40 -9.512 5.668 1.919 1.00 0.00 C ATOM 659 O LEU A 40 -10.278 6.470 2.454 1.00 0.00 O ATOM 660 CB LEU A 40 -8.634 3.415 2.553 1.00 0.00 C ATOM 661 CG LEU A 40 -7.494 2.562 3.117 1.00 0.00 C ATOM 662 CD1 LEU A 40 -8.011 1.620 4.192 1.00 0.00 C ATOM 663 CD2 LEU A 40 -6.811 1.778 2.004 1.00 0.00 C ATOM 0 H LEU A 40 -7.688 5.633 4.554 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.476 5.218 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.566 3.109 3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.734 3.203 1.488 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.760 3.229 3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.186 1.023 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.452 2.200 5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.767 0.961 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.004 1.178 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.537 1.123 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.403 2.471 1.268 1.00 0.00 H new ATOM 675 N ALA A 41 -9.544 5.395 0.619 1.00 0.00 N ATOM 676 CA ALA A 41 -10.499 6.036 -0.276 1.00 0.00 C ATOM 677 C ALA A 41 -11.257 4.999 -1.103 1.00 0.00 C ATOM 678 O ALA A 41 -10.699 4.405 -2.026 1.00 0.00 O ATOM 679 CB ALA A 41 -9.784 7.021 -1.188 1.00 0.00 C ATOM 0 H ALA A 41 -8.918 4.733 0.161 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.224 6.579 0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.508 7.493 -1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.292 7.784 -0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.038 6.492 -1.782 1.00 0.00 H new ATOM 685 N PRO A 42 -12.542 4.761 -0.781 1.00 0.00 N ATOM 686 CA PRO A 42 -13.366 3.786 -1.503 1.00 0.00 C ATOM 687 C PRO A 42 -13.731 4.248 -2.912 1.00 0.00 C ATOM 688 O PRO A 42 -14.308 3.489 -3.691 1.00 0.00 O ATOM 689 CB PRO A 42 -14.623 3.674 -0.637 1.00 0.00 C ATOM 690 CG PRO A 42 -14.709 4.981 0.071 1.00 0.00 C ATOM 691 CD PRO A 42 -13.290 5.419 0.307 1.00 0.00 C ATOM 0 HA PRO A 42 -12.840 2.842 -1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.509 3.494 -1.246 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.547 2.846 0.068 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.249 5.714 -0.528 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -15.248 4.880 1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.192 6.504 0.263 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.931 5.106 1.287 1.00 0.00 H new ATOM 699 N LYS A 43 -13.395 5.494 -3.237 1.00 0.00 N ATOM 700 CA LYS A 43 -13.695 6.045 -4.554 1.00 0.00 C ATOM 701 C LYS A 43 -12.491 5.923 -5.486 1.00 0.00 C ATOM 702 O LYS A 43 -12.285 6.765 -6.360 1.00 0.00 O ATOM 703 CB LYS A 43 -14.113 7.512 -4.432 1.00 0.00 C ATOM 704 CG LYS A 43 -13.034 8.405 -3.841 1.00 0.00 C ATOM 705 CD LYS A 43 -13.374 8.830 -2.421 1.00 0.00 C ATOM 706 CE LYS A 43 -13.886 10.261 -2.373 1.00 0.00 C ATOM 707 NZ LYS A 43 -15.087 10.391 -1.503 1.00 0.00 N ATOM 0 H LYS A 43 -12.916 6.139 -2.608 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.519 5.472 -4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.383 7.887 -5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -15.006 7.576 -3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.081 7.876 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.910 9.289 -4.466 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.128 8.159 -2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.489 8.738 -1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.097 10.917 -2.004 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.131 10.593 -3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.405 11.381 -1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.848 9.785 -1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.847 10.098 -0.534 1.00 0.00 H new ATOM 721 N TYR A 44 -11.702 4.870 -5.296 1.00 0.00 N ATOM 722 CA TYR A 44 -10.523 4.642 -6.123 1.00 0.00 C ATOM 723 C TYR A 44 -10.371 3.162 -6.459 1.00 0.00 C ATOM 724 O TYR A 44 -10.725 2.725 -7.554 1.00 0.00 O ATOM 725 CB TYR A 44 -9.267 5.151 -5.413 1.00 0.00 C ATOM 726 CG TYR A 44 -9.205 6.658 -5.298 1.00 0.00 C ATOM 727 CD1 TYR A 44 -9.576 7.471 -6.360 1.00 0.00 C ATOM 728 CD2 TYR A 44 -8.775 7.266 -4.124 1.00 0.00 C ATOM 729 CE1 TYR A 44 -9.521 8.849 -6.257 1.00 0.00 C ATOM 730 CE2 TYR A 44 -8.718 8.641 -4.013 1.00 0.00 C ATOM 731 CZ TYR A 44 -9.093 9.428 -5.082 1.00 0.00 C ATOM 732 OH TYR A 44 -9.037 10.800 -4.975 1.00 0.00 O ATOM 0 H TYR A 44 -11.858 4.163 -4.578 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.652 5.194 -7.054 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.223 4.717 -4.414 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.387 4.800 -5.952 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -9.913 7.020 -7.282 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.481 6.653 -3.285 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.812 9.468 -7.093 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.382 9.098 -3.094 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.297 11.141 -5.520 1.00 0.00 H new ATOM 742 N LYS A 45 -9.841 2.391 -5.511 1.00 0.00 N ATOM 743 CA LYS A 45 -9.644 0.960 -5.712 1.00 0.00 C ATOM 744 C LYS A 45 -9.069 0.308 -4.457 1.00 0.00 C ATOM 745 O LYS A 45 -8.233 -0.591 -4.538 1.00 0.00 O ATOM 746 CB LYS A 45 -8.714 0.716 -6.905 1.00 0.00 C ATOM 747 CG LYS A 45 -9.452 0.383 -8.193 1.00 0.00 C ATOM 748 CD LYS A 45 -8.978 1.249 -9.350 1.00 0.00 C ATOM 749 CE LYS A 45 -7.970 0.513 -10.217 1.00 0.00 C ATOM 750 NZ LYS A 45 -7.113 1.451 -10.992 1.00 0.00 N ATOM 0 H LYS A 45 -9.541 2.734 -4.598 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.614 0.508 -5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.102 1.604 -7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.034 -0.101 -6.664 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.300 -0.668 -8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.523 0.525 -8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.833 1.548 -9.957 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.528 2.163 -8.962 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.341 -0.117 -9.587 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.497 -0.149 -10.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.440 0.909 -11.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.710 2.035 -11.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.590 2.066 -10.336 1.00 0.00 H new ATOM 764 N ASP A 46 -9.525 0.769 -3.296 1.00 0.00 N ATOM 765 CA ASP A 46 -9.057 0.229 -2.025 1.00 0.00 C ATOM 766 C ASP A 46 -9.613 -1.172 -1.792 1.00 0.00 C ATOM 767 O ASP A 46 -10.528 -1.361 -0.989 1.00 0.00 O ATOM 768 CB ASP A 46 -9.464 1.154 -0.876 1.00 0.00 C ATOM 769 CG ASP A 46 -10.967 1.338 -0.782 1.00 0.00 C ATOM 770 OD1 ASP A 46 -11.672 0.945 -1.736 1.00 0.00 O ATOM 771 OD2 ASP A 46 -11.438 1.873 0.242 1.00 0.00 O ATOM 0 H ASP A 46 -10.217 1.514 -3.210 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.970 0.165 -2.062 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.092 0.746 0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.990 2.126 -1.011 1.00 0.00 H new ATOM 776 N HIS A 47 -9.058 -2.150 -2.499 1.00 0.00 N ATOM 777 CA HIS A 47 -9.498 -3.534 -2.370 1.00 0.00 C ATOM 778 C HIS A 47 -8.665 -4.456 -3.259 1.00 0.00 C ATOM 779 O HIS A 47 -7.889 -3.992 -4.094 1.00 0.00 O ATOM 780 CB HIS A 47 -10.980 -3.656 -2.736 1.00 0.00 C ATOM 781 CG HIS A 47 -11.891 -3.665 -1.547 1.00 0.00 C ATOM 782 ND1 HIS A 47 -11.548 -4.235 -0.340 1.00 0.00 N ATOM 783 CD2 HIS A 47 -13.140 -3.165 -1.384 1.00 0.00 C ATOM 784 CE1 HIS A 47 -12.547 -4.088 0.513 1.00 0.00 C ATOM 785 NE2 HIS A 47 -13.522 -3.442 -0.096 1.00 0.00 N ATOM 0 H HIS A 47 -8.301 -2.010 -3.168 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.360 -3.838 -1.332 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.254 -2.826 -3.388 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.131 -4.573 -3.306 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.725 -2.646 -2.129 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -12.562 -4.437 1.535 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -14.417 -3.189 0.323 1.00 0.00 H new ATOM 794 N PRO A 48 -8.817 -5.783 -3.092 1.00 0.00 N ATOM 795 CA PRO A 48 -8.075 -6.769 -3.884 1.00 0.00 C ATOM 796 C PRO A 48 -8.205 -6.521 -5.382 1.00 0.00 C ATOM 797 O PRO A 48 -8.814 -5.540 -5.808 1.00 0.00 O ATOM 798 CB PRO A 48 -8.729 -8.099 -3.502 1.00 0.00 C ATOM 799 CG PRO A 48 -9.300 -7.865 -2.146 1.00 0.00 C ATOM 800 CD PRO A 48 -9.723 -6.422 -2.117 1.00 0.00 C ATOM 0 HA PRO A 48 -7.005 -6.733 -3.681 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.505 -8.378 -4.215 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.000 -8.909 -3.490 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.148 -8.524 -1.961 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.562 -8.071 -1.371 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.768 -6.303 -2.402 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.613 -5.990 -1.122 1.00 0.00 H new ATOM 808 N LEU A 49 -7.630 -7.417 -6.177 1.00 0.00 N ATOM 809 CA LEU A 49 -7.682 -7.293 -7.629 1.00 0.00 C ATOM 810 C LEU A 49 -8.598 -8.354 -8.235 1.00 0.00 C ATOM 811 O LEU A 49 -9.718 -8.054 -8.650 1.00 0.00 O ATOM 812 CB LEU A 49 -6.276 -7.410 -8.222 1.00 0.00 C ATOM 813 CG LEU A 49 -5.271 -6.378 -7.710 1.00 0.00 C ATOM 814 CD1 LEU A 49 -4.736 -6.788 -6.347 1.00 0.00 C ATOM 815 CD2 LEU A 49 -4.131 -6.207 -8.703 1.00 0.00 C ATOM 0 H LEU A 49 -7.123 -8.236 -5.841 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.089 -6.311 -7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.890 -8.407 -8.010 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.346 -7.320 -9.306 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.781 -5.421 -7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.022 -6.043 -5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.561 -6.860 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.241 -7.756 -6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.425 -5.469 -8.323 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.621 -7.161 -8.839 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.529 -5.869 -9.660 1.00 0.00 H new ATOM 827 N LYS A 50 -8.118 -9.593 -8.284 1.00 0.00 N ATOM 828 CA LYS A 50 -8.895 -10.698 -8.840 1.00 0.00 C ATOM 829 C LYS A 50 -8.055 -11.969 -8.907 1.00 0.00 C ATOM 830 O LYS A 50 -6.931 -12.011 -8.407 1.00 0.00 O ATOM 831 CB LYS A 50 -9.414 -10.340 -10.236 1.00 0.00 C ATOM 832 CG LYS A 50 -10.883 -9.948 -10.255 1.00 0.00 C ATOM 833 CD LYS A 50 -11.649 -10.693 -11.338 1.00 0.00 C ATOM 834 CE LYS A 50 -11.376 -10.108 -12.713 1.00 0.00 C ATOM 835 NZ LYS A 50 -12.291 -10.667 -13.746 1.00 0.00 N ATOM 0 H LYS A 50 -7.193 -9.858 -7.945 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.746 -10.877 -8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.821 -9.517 -10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.265 -11.192 -10.900 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.329 -10.159 -9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.971 -8.874 -10.420 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.367 -11.746 -11.326 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.717 -10.647 -11.127 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.489 -9.025 -12.676 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.343 -10.311 -12.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.072 -10.242 -14.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.165 -11.698 -13.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.276 -10.452 -13.491 1.00 0.00 H new ATOM 849 N GLY A 51 -8.607 -13.005 -9.529 1.00 0.00 N ATOM 850 CA GLY A 51 -7.894 -14.263 -9.652 1.00 0.00 C ATOM 851 C GLY A 51 -8.109 -15.170 -8.456 1.00 0.00 C ATOM 852 O GLY A 51 -9.165 -15.139 -7.825 1.00 0.00 O ATOM 0 H GLY A 51 -9.536 -12.996 -9.950 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.221 -14.776 -10.557 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.828 -14.064 -9.766 1.00 0.00 H new ATOM 856 N GLY A 52 -7.104 -15.982 -8.144 1.00 0.00 N ATOM 857 CA GLY A 52 -7.207 -16.892 -7.018 1.00 0.00 C ATOM 858 C GLY A 52 -5.986 -16.847 -6.121 1.00 0.00 C ATOM 859 O GLY A 52 -5.621 -17.850 -5.508 1.00 0.00 O ATOM 0 H GLY A 52 -6.220 -16.026 -8.651 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.093 -16.643 -6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.345 -17.908 -7.388 1.00 0.00 H new ATOM 863 N LEU A 53 -5.351 -15.683 -6.045 1.00 0.00 N ATOM 864 CA LEU A 53 -4.163 -15.512 -5.217 1.00 0.00 C ATOM 865 C LEU A 53 -4.535 -14.989 -3.834 1.00 0.00 C ATOM 866 O LEU A 53 -4.058 -15.496 -2.818 1.00 0.00 O ATOM 867 CB LEU A 53 -3.178 -14.554 -5.890 1.00 0.00 C ATOM 868 CG LEU A 53 -2.900 -14.842 -7.368 1.00 0.00 C ATOM 869 CD1 LEU A 53 -3.759 -13.955 -8.256 1.00 0.00 C ATOM 870 CD2 LEU A 53 -1.425 -14.644 -7.683 1.00 0.00 C ATOM 0 H LEU A 53 -5.639 -14.843 -6.547 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.688 -16.486 -5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.564 -13.538 -5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.234 -14.586 -5.346 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.158 -15.882 -7.569 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.547 -14.174 -9.303 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.812 -14.146 -8.051 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.534 -12.908 -8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.247 -14.853 -8.738 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.141 -13.615 -7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.828 -15.322 -7.073 1.00 0.00 H new ATOM 882 N LYS A 54 -5.389 -13.970 -3.801 1.00 0.00 N ATOM 883 CA LYS A 54 -5.827 -13.377 -2.542 1.00 0.00 C ATOM 884 C LYS A 54 -4.636 -12.850 -1.745 1.00 0.00 C ATOM 885 O LYS A 54 -4.669 -12.813 -0.514 1.00 0.00 O ATOM 886 CB LYS A 54 -6.597 -14.404 -1.710 1.00 0.00 C ATOM 887 CG LYS A 54 -7.817 -14.970 -2.420 1.00 0.00 C ATOM 888 CD LYS A 54 -7.545 -16.359 -2.976 1.00 0.00 C ATOM 889 CE LYS A 54 -7.587 -17.414 -1.882 1.00 0.00 C ATOM 890 NZ LYS A 54 -6.222 -17.788 -1.417 1.00 0.00 N ATOM 0 H LYS A 54 -5.792 -13.538 -4.633 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.486 -12.540 -2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.927 -15.223 -1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.913 -13.939 -0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.656 -15.013 -1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.109 -14.303 -3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.284 -16.597 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.569 -16.374 -3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.168 -17.040 -1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.100 -18.301 -2.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.174 -18.817 -1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.522 -17.505 -2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.016 -17.303 -0.520 1.00 0.00 H new ATOM 904 N ASP A 55 -3.588 -12.443 -2.454 1.00 0.00 N ATOM 905 CA ASP A 55 -2.389 -11.916 -1.812 1.00 0.00 C ATOM 906 C ASP A 55 -2.122 -10.482 -2.261 1.00 0.00 C ATOM 907 O ASP A 55 -1.759 -9.625 -1.455 1.00 0.00 O ATOM 908 CB ASP A 55 -1.182 -12.802 -2.135 1.00 0.00 C ATOM 909 CG ASP A 55 -0.487 -13.308 -0.886 1.00 0.00 C ATOM 910 OD1 ASP A 55 -0.360 -12.527 0.080 1.00 0.00 O ATOM 911 OD2 ASP A 55 -0.071 -14.485 -0.875 1.00 0.00 O ATOM 0 H ASP A 55 -3.545 -12.468 -3.473 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.550 -11.916 -0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.508 -13.651 -2.736 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.472 -12.238 -2.740 1.00 0.00 H new ATOM 916 N PHE A 56 -2.306 -10.230 -3.552 1.00 0.00 N ATOM 917 CA PHE A 56 -2.090 -8.902 -4.112 1.00 0.00 C ATOM 918 C PHE A 56 -3.294 -8.002 -3.855 1.00 0.00 C ATOM 919 O PHE A 56 -4.433 -8.377 -4.131 1.00 0.00 O ATOM 920 CB PHE A 56 -1.818 -8.995 -5.615 1.00 0.00 C ATOM 921 CG PHE A 56 -0.357 -9.011 -5.962 1.00 0.00 C ATOM 922 CD1 PHE A 56 0.419 -7.874 -5.798 1.00 0.00 C ATOM 923 CD2 PHE A 56 0.241 -10.162 -6.450 1.00 0.00 C ATOM 924 CE1 PHE A 56 1.764 -7.885 -6.114 1.00 0.00 C ATOM 925 CE2 PHE A 56 1.585 -10.178 -6.769 1.00 0.00 C ATOM 926 CZ PHE A 56 2.348 -9.039 -6.600 1.00 0.00 C ATOM 0 H PHE A 56 -2.605 -10.930 -4.231 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.221 -8.465 -3.621 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.285 -9.899 -6.005 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.292 -8.150 -6.114 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.033 -6.969 -5.419 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.350 -11.056 -6.582 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.358 -6.993 -5.981 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.039 -11.081 -7.150 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.399 -9.050 -6.847 1.00 0.00 H new ATOM 936 N ARG A 57 -3.032 -6.815 -3.319 1.00 0.00 N ATOM 937 CA ARG A 57 -4.092 -5.859 -3.014 1.00 0.00 C ATOM 938 C ARG A 57 -3.589 -4.427 -3.170 1.00 0.00 C ATOM 939 O ARG A 57 -2.512 -4.081 -2.686 1.00 0.00 O ATOM 940 CB ARG A 57 -4.610 -6.075 -1.591 1.00 0.00 C ATOM 941 CG ARG A 57 -5.377 -7.374 -1.410 1.00 0.00 C ATOM 942 CD ARG A 57 -5.467 -7.767 0.057 1.00 0.00 C ATOM 943 NE ARG A 57 -6.532 -7.048 0.752 1.00 0.00 N ATOM 944 CZ ARG A 57 -7.017 -7.409 1.938 1.00 0.00 C ATOM 945 NH1 ARG A 57 -6.536 -8.476 2.563 1.00 0.00 N ATOM 946 NH2 ARG A 57 -7.985 -6.699 2.502 1.00 0.00 N ATOM 0 H ARG A 57 -2.093 -6.491 -3.086 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.908 -6.021 -3.718 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.766 -6.063 -0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.257 -5.241 -1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.381 -7.266 -1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.886 -8.169 -1.972 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.643 -8.840 0.135 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.514 -7.564 0.546 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.927 -6.222 0.303 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.790 -9.025 2.135 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.912 -8.747 3.472 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.357 -5.877 2.027 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.357 -6.975 3.411 1.00 0.00 H new ATOM 960 N GLU A 58 -4.377 -3.600 -3.848 1.00 0.00 N ATOM 961 CA GLU A 58 -4.011 -2.206 -4.069 1.00 0.00 C ATOM 962 C GLU A 58 -4.903 -1.272 -3.257 1.00 0.00 C ATOM 963 O GLU A 58 -6.083 -1.550 -3.047 1.00 0.00 O ATOM 964 CB GLU A 58 -4.113 -1.860 -5.556 1.00 0.00 C ATOM 965 CG GLU A 58 -3.569 -0.485 -5.901 1.00 0.00 C ATOM 966 CD GLU A 58 -4.392 0.219 -6.963 1.00 0.00 C ATOM 967 OE1 GLU A 58 -5.595 0.457 -6.721 1.00 0.00 O ATOM 968 OE2 GLU A 58 -3.834 0.530 -8.036 1.00 0.00 O ATOM 0 H GLU A 58 -5.273 -3.871 -4.254 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.981 -2.072 -3.740 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.572 -2.610 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.158 -1.915 -5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.544 0.128 -5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.541 -0.582 -6.249 1.00 0.00 H new ATOM 975 N CYS A 59 -4.328 -0.162 -2.806 1.00 0.00 N ATOM 976 CA CYS A 59 -5.066 0.817 -2.019 1.00 0.00 C ATOM 977 C CYS A 59 -4.518 2.220 -2.250 1.00 0.00 C ATOM 978 O CYS A 59 -3.310 2.411 -2.383 1.00 0.00 O ATOM 979 CB CYS A 59 -4.997 0.466 -0.532 1.00 0.00 C ATOM 980 SG CYS A 59 -6.157 -0.824 -0.022 1.00 0.00 S ATOM 0 H CYS A 59 -3.352 0.081 -2.973 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.108 0.795 -2.340 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.984 0.143 -0.293 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.191 1.366 0.052 1.00 0.00 H new ATOM 0 HG CYS A 59 -6.521 -1.515 -1.061 1.00 0.00 H new ATOM 986 N HIS A 60 -5.414 3.199 -2.299 1.00 0.00 N ATOM 987 CA HIS A 60 -5.019 4.586 -2.516 1.00 0.00 C ATOM 988 C HIS A 60 -5.032 5.369 -1.208 1.00 0.00 C ATOM 989 O HIS A 60 -6.061 5.917 -0.811 1.00 0.00 O ATOM 990 CB HIS A 60 -5.951 5.251 -3.530 1.00 0.00 C ATOM 991 CG HIS A 60 -5.939 4.591 -4.875 1.00 0.00 C ATOM 992 ND1 HIS A 60 -5.827 5.293 -6.057 1.00 0.00 N ATOM 993 CD2 HIS A 60 -6.026 3.285 -5.223 1.00 0.00 C ATOM 994 CE1 HIS A 60 -5.846 4.448 -7.073 1.00 0.00 C ATOM 995 NE2 HIS A 60 -5.965 3.223 -6.593 1.00 0.00 N ATOM 0 H HIS A 60 -6.419 3.058 -2.191 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.002 4.589 -2.909 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.968 5.241 -3.138 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.664 6.296 -3.644 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.125 2.448 -4.548 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.776 4.714 -8.117 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -6.005 2.369 -7.150 1.00 0.00 H new ATOM 1004 N LEU A 61 -3.881 5.422 -0.544 1.00 0.00 N ATOM 1005 CA LEU A 61 -3.763 6.141 0.719 1.00 0.00 C ATOM 1006 C LEU A 61 -4.048 7.626 0.524 1.00 0.00 C ATOM 1007 O LEU A 61 -4.696 8.259 1.358 1.00 0.00 O ATOM 1008 CB LEU A 61 -2.363 5.951 1.309 1.00 0.00 C ATOM 1009 CG LEU A 61 -1.213 6.391 0.402 1.00 0.00 C ATOM 1010 CD1 LEU A 61 -0.864 7.850 0.653 1.00 0.00 C ATOM 1011 CD2 LEU A 61 0.005 5.505 0.620 1.00 0.00 C ATOM 0 H LEU A 61 -3.019 4.977 -0.859 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.499 5.735 1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.301 6.507 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.229 4.898 1.555 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.533 6.288 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.044 8.146 -0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.735 8.473 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.563 7.978 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.814 5.832 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.326 5.577 1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.252 4.471 0.390 1.00 0.00 H new ATOM 1023 N LYS A 62 -3.560 8.176 -0.583 1.00 0.00 N ATOM 1024 CA LYS A 62 -3.761 9.588 -0.891 1.00 0.00 C ATOM 1025 C LYS A 62 -4.819 9.759 -1.980 1.00 0.00 C ATOM 1026 O LYS A 62 -5.236 8.787 -2.609 1.00 0.00 O ATOM 1027 CB LYS A 62 -2.441 10.227 -1.325 1.00 0.00 C ATOM 1028 CG LYS A 62 -1.799 11.085 -0.248 1.00 0.00 C ATOM 1029 CD LYS A 62 -0.314 11.283 -0.503 1.00 0.00 C ATOM 1030 CE LYS A 62 0.112 12.715 -0.227 1.00 0.00 C ATOM 1031 NZ LYS A 62 0.139 13.016 1.231 1.00 0.00 N ATOM 0 H LYS A 62 -3.022 7.665 -1.283 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.115 10.090 0.010 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.744 9.441 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.617 10.839 -2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.295 12.055 -0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.942 10.616 0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.258 10.604 0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.084 11.027 -1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.101 12.888 -0.652 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.573 13.400 -0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.434 14.002 1.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.810 12.876 1.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.812 12.380 1.704 1.00 0.00 H new ATOM 1045 N PRO A 63 -5.274 11.003 -2.213 1.00 0.00 N ATOM 1046 CA PRO A 63 -6.294 11.294 -3.228 1.00 0.00 C ATOM 1047 C PRO A 63 -5.772 11.149 -4.655 1.00 0.00 C ATOM 1048 O PRO A 63 -6.542 11.219 -5.613 1.00 0.00 O ATOM 1049 CB PRO A 63 -6.669 12.751 -2.946 1.00 0.00 C ATOM 1050 CG PRO A 63 -5.461 13.334 -2.299 1.00 0.00 C ATOM 1051 CD PRO A 63 -4.837 12.222 -1.503 1.00 0.00 C ATOM 0 HA PRO A 63 -7.131 10.598 -3.165 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.920 13.280 -3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.539 12.817 -2.292 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.765 13.717 -3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.730 14.171 -1.655 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.750 12.305 -1.480 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.179 12.228 -0.468 1.00 0.00 H new ATOM 1059 N ASP A 64 -4.466 10.949 -4.797 1.00 0.00 N ATOM 1060 CA ASP A 64 -3.859 10.798 -6.115 1.00 0.00 C ATOM 1061 C ASP A 64 -2.619 9.910 -6.052 1.00 0.00 C ATOM 1062 O ASP A 64 -1.584 10.228 -6.638 1.00 0.00 O ATOM 1063 CB ASP A 64 -3.492 12.169 -6.687 1.00 0.00 C ATOM 1064 CG ASP A 64 -4.606 12.764 -7.524 1.00 0.00 C ATOM 1065 OD1 ASP A 64 -4.708 12.408 -8.717 1.00 0.00 O ATOM 1066 OD2 ASP A 64 -5.378 13.587 -6.988 1.00 0.00 O ATOM 0 H ASP A 64 -3.809 10.888 -4.019 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.588 10.319 -6.769 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.253 12.849 -5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.593 12.076 -7.297 1.00 0.00 H new ATOM 1071 N LEU A 65 -2.731 8.793 -5.341 1.00 0.00 N ATOM 1072 CA LEU A 65 -1.614 7.862 -5.207 1.00 0.00 C ATOM 1073 C LEU A 65 -2.101 6.471 -4.817 1.00 0.00 C ATOM 1074 O LEU A 65 -2.871 6.314 -3.869 1.00 0.00 O ATOM 1075 CB LEU A 65 -0.621 8.375 -4.161 1.00 0.00 C ATOM 1076 CG LEU A 65 0.216 9.580 -4.593 1.00 0.00 C ATOM 1077 CD1 LEU A 65 -0.482 10.883 -4.218 1.00 0.00 C ATOM 1078 CD2 LEU A 65 1.600 9.516 -3.964 1.00 0.00 C ATOM 0 H LEU A 65 -3.579 8.510 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.117 7.793 -6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.173 8.641 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.053 7.561 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 65 0.326 9.552 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.130 11.728 -4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.452 10.932 -4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.624 10.922 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.184 10.380 -4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.507 9.519 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.102 8.602 -4.282 1.00 0.00 H new ATOM 1090 N LEU A 66 -1.639 5.462 -5.548 1.00 0.00 N ATOM 1091 CA LEU A 66 -2.020 4.081 -5.272 1.00 0.00 C ATOM 1092 C LEU A 66 -0.986 3.418 -4.370 1.00 0.00 C ATOM 1093 O LEU A 66 -0.003 4.045 -3.975 1.00 0.00 O ATOM 1094 CB LEU A 66 -2.168 3.277 -6.572 1.00 0.00 C ATOM 1095 CG LEU A 66 -2.170 4.097 -7.867 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -0.770 4.166 -8.455 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -3.144 3.504 -8.873 1.00 0.00 C ATOM 0 H LEU A 66 -1.001 5.574 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.984 4.095 -4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.355 2.553 -6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.097 2.709 -6.522 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.495 5.111 -7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.790 4.752 -9.374 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.097 4.637 -7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.418 3.158 -8.675 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.132 4.099 -9.786 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.850 2.480 -9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.149 3.507 -8.451 1.00 0.00 H new ATOM 1109 N LEU A 67 -1.206 2.148 -4.049 1.00 0.00 N ATOM 1110 CA LEU A 67 -0.282 1.414 -3.196 1.00 0.00 C ATOM 1111 C LEU A 67 -0.613 -0.074 -3.169 1.00 0.00 C ATOM 1112 O LEU A 67 -1.542 -0.502 -2.482 1.00 0.00 O ATOM 1113 CB LEU A 67 -0.304 1.977 -1.774 1.00 0.00 C ATOM 1114 CG LEU A 67 0.863 1.541 -0.889 1.00 0.00 C ATOM 1115 CD1 LEU A 67 0.970 2.436 0.336 1.00 0.00 C ATOM 1116 CD2 LEU A 67 0.706 0.086 -0.477 1.00 0.00 C ATOM 0 H LEU A 67 -2.012 1.609 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 67 0.718 1.534 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.311 3.066 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.236 1.677 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 67 1.784 1.637 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.807 2.109 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.132 3.467 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.047 2.374 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.546 -0.207 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.224 -0.037 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.683 -0.544 -1.367 1.00 0.00 H new ATOM 1128 N VAL A 68 0.158 -0.856 -3.913 1.00 0.00 N ATOM 1129 CA VAL A 68 -0.040 -2.298 -3.967 1.00 0.00 C ATOM 1130 C VAL A 68 0.879 -2.999 -2.974 1.00 0.00 C ATOM 1131 O VAL A 68 2.048 -2.643 -2.846 1.00 0.00 O ATOM 1132 CB VAL A 68 0.229 -2.851 -5.379 1.00 0.00 C ATOM 1133 CG1 VAL A 68 -0.155 -4.320 -5.460 1.00 0.00 C ATOM 1134 CG2 VAL A 68 -0.520 -2.037 -6.425 1.00 0.00 C ATOM 0 H VAL A 68 0.928 -0.515 -4.489 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.081 -2.493 -3.707 1.00 0.00 H new ATOM 0 HB VAL A 68 1.296 -2.767 -5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.042 -4.693 -6.465 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.432 -4.890 -4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.215 -4.432 -5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.317 -2.443 -7.416 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.590 -2.085 -6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.189 -0.999 -6.384 1.00 0.00 H new ATOM 1144 N TYR A 69 0.346 -3.989 -2.266 1.00 0.00 N ATOM 1145 CA TYR A 69 1.133 -4.724 -1.282 1.00 0.00 C ATOM 1146 C TYR A 69 0.696 -6.183 -1.197 1.00 0.00 C ATOM 1147 O TYR A 69 -0.323 -6.574 -1.768 1.00 0.00 O ATOM 1148 CB TYR A 69 1.011 -4.066 0.093 1.00 0.00 C ATOM 1149 CG TYR A 69 -0.415 -3.930 0.579 1.00 0.00 C ATOM 1150 CD1 TYR A 69 -1.170 -5.049 0.906 1.00 0.00 C ATOM 1151 CD2 TYR A 69 -1.007 -2.680 0.709 1.00 0.00 C ATOM 1152 CE1 TYR A 69 -2.472 -4.927 1.350 1.00 0.00 C ATOM 1153 CE2 TYR A 69 -2.309 -2.549 1.153 1.00 0.00 C ATOM 1154 CZ TYR A 69 -3.038 -3.675 1.472 1.00 0.00 C ATOM 1155 OH TYR A 69 -4.334 -3.549 1.912 1.00 0.00 O ATOM 0 H TYR A 69 -0.622 -4.300 -2.354 1.00 0.00 H new ATOM 0 HA TYR A 69 2.174 -4.698 -1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.578 -4.651 0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.468 -3.077 0.054 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.731 -6.031 0.811 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.440 -1.796 0.459 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.044 -5.808 1.601 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.753 -1.569 1.250 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.361 -3.658 2.886 1.00 0.00 H new ATOM 1165 N GLN A 70 1.477 -6.979 -0.475 1.00 0.00 N ATOM 1166 CA GLN A 70 1.181 -8.395 -0.300 1.00 0.00 C ATOM 1167 C GLN A 70 1.545 -8.848 1.111 1.00 0.00 C ATOM 1168 O GLN A 70 2.717 -8.854 1.489 1.00 0.00 O ATOM 1169 CB GLN A 70 1.944 -9.229 -1.331 1.00 0.00 C ATOM 1170 CG GLN A 70 1.638 -10.716 -1.262 1.00 0.00 C ATOM 1171 CD GLN A 70 2.881 -11.573 -1.394 1.00 0.00 C ATOM 1172 OE1 GLN A 70 3.509 -11.937 -0.400 1.00 0.00 O ATOM 1173 NE2 GLN A 70 3.244 -11.902 -2.628 1.00 0.00 N ATOM 0 H GLN A 70 2.323 -6.665 0.000 1.00 0.00 H new ATOM 0 HA GLN A 70 0.111 -8.543 -0.449 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.704 -8.864 -2.330 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.014 -9.080 -1.185 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.147 -10.939 -0.315 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.936 -10.976 -2.054 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.695 -11.579 -3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.072 -12.478 -2.780 1.00 0.00 H new ATOM 1182 N ILE A 71 0.533 -9.224 1.887 1.00 0.00 N ATOM 1183 CA ILE A 71 0.748 -9.673 3.258 1.00 0.00 C ATOM 1184 C ILE A 71 1.097 -11.159 3.297 1.00 0.00 C ATOM 1185 O ILE A 71 0.468 -11.973 2.620 1.00 0.00 O ATOM 1186 CB ILE A 71 -0.499 -9.408 4.137 1.00 0.00 C ATOM 1187 CG1 ILE A 71 -0.627 -7.915 4.447 1.00 0.00 C ATOM 1188 CG2 ILE A 71 -0.436 -10.210 5.433 1.00 0.00 C ATOM 1189 CD1 ILE A 71 -0.601 -7.030 3.219 1.00 0.00 C ATOM 0 H ILE A 71 -0.443 -9.227 1.590 1.00 0.00 H new ATOM 0 HA ILE A 71 1.585 -9.102 3.659 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.378 -9.729 3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.559 -7.744 4.986 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.185 -7.621 5.112 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.324 -10.005 6.031 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.393 -11.274 5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.454 -9.925 5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.697 -5.987 3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.341 -7.170 2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.429 -7.295 2.562 1.00 0.00 H new ATOM 1201 N LYS A 72 2.102 -11.501 4.095 1.00 0.00 N ATOM 1202 CA LYS A 72 2.536 -12.885 4.228 1.00 0.00 C ATOM 1203 C LYS A 72 2.224 -13.420 5.621 1.00 0.00 C ATOM 1204 O LYS A 72 2.911 -13.096 6.591 1.00 0.00 O ATOM 1205 CB LYS A 72 4.036 -12.998 3.951 1.00 0.00 C ATOM 1206 CG LYS A 72 4.868 -11.938 4.655 1.00 0.00 C ATOM 1207 CD LYS A 72 5.144 -10.750 3.746 1.00 0.00 C ATOM 1208 CE LYS A 72 6.571 -10.765 3.220 1.00 0.00 C ATOM 1209 NZ LYS A 72 6.624 -11.081 1.766 1.00 0.00 N ATOM 0 H LYS A 72 2.632 -10.837 4.660 1.00 0.00 H new ATOM 0 HA LYS A 72 1.992 -13.483 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.381 -13.984 4.262 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.205 -12.926 2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.346 -11.599 5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.812 -12.373 4.983 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.447 -10.763 2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.967 -9.824 4.293 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.033 -9.794 3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.154 -11.502 3.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.601 -10.982 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.300 -12.057 1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.007 -10.425 1.245 1.00 0.00 H new ATOM 1223 N LYS A 73 1.180 -14.238 5.716 1.00 0.00 N ATOM 1224 CA LYS A 73 0.774 -14.817 6.992 1.00 0.00 C ATOM 1225 C LYS A 73 1.878 -15.697 7.574 1.00 0.00 C ATOM 1226 O LYS A 73 1.891 -15.977 8.773 1.00 0.00 O ATOM 1227 CB LYS A 73 -0.507 -15.635 6.818 1.00 0.00 C ATOM 1228 CG LYS A 73 -0.455 -16.606 5.649 1.00 0.00 C ATOM 1229 CD LYS A 73 -1.291 -17.847 5.919 1.00 0.00 C ATOM 1230 CE LYS A 73 -2.011 -18.317 4.666 1.00 0.00 C ATOM 1231 NZ LYS A 73 -3.358 -18.872 4.974 1.00 0.00 N ATOM 0 H LYS A 73 0.600 -14.515 4.924 1.00 0.00 H new ATOM 0 HA LYS A 73 0.586 -13.999 7.688 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.699 -16.193 7.735 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.347 -14.954 6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.816 -16.111 4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.579 -16.896 5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.649 -18.645 6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.020 -17.633 6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.112 -17.483 3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.411 -19.077 4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.816 -19.181 4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.260 -19.684 5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.940 -18.139 5.428 1.00 0.00 H new ATOM 1245 N GLN A 74 2.803 -16.133 6.720 1.00 0.00 N ATOM 1246 CA GLN A 74 3.909 -16.982 7.155 1.00 0.00 C ATOM 1247 C GLN A 74 4.633 -16.369 8.351 1.00 0.00 C ATOM 1248 O GLN A 74 5.077 -17.079 9.251 1.00 0.00 O ATOM 1249 CB GLN A 74 4.893 -17.199 6.005 1.00 0.00 C ATOM 1250 CG GLN A 74 5.947 -18.257 6.298 1.00 0.00 C ATOM 1251 CD GLN A 74 5.797 -19.487 5.425 1.00 0.00 C ATOM 1252 OE1 GLN A 74 4.698 -19.820 4.983 1.00 0.00 O ATOM 1253 NE2 GLN A 74 6.908 -20.171 5.172 1.00 0.00 N ATOM 0 H GLN A 74 2.808 -15.912 5.724 1.00 0.00 H new ATOM 0 HA GLN A 74 3.497 -17.944 7.460 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.338 -17.488 5.112 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.390 -16.255 5.780 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.938 -17.828 6.148 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.881 -18.550 7.346 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.798 -19.859 5.559 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.870 -21.008 4.591 1.00 0.00 H new ATOM 1262 N GLU A 75 4.745 -15.044 8.352 1.00 0.00 N ATOM 1263 CA GLU A 75 5.415 -14.337 9.438 1.00 0.00 C ATOM 1264 C GLU A 75 4.745 -12.992 9.718 1.00 0.00 C ATOM 1265 O GLU A 75 5.339 -12.112 10.341 1.00 0.00 O ATOM 1266 CB GLU A 75 6.892 -14.121 9.099 1.00 0.00 C ATOM 1267 CG GLU A 75 7.129 -13.679 7.665 1.00 0.00 C ATOM 1268 CD GLU A 75 8.595 -13.707 7.280 1.00 0.00 C ATOM 1269 OE1 GLU A 75 9.113 -14.809 6.997 1.00 0.00 O ATOM 1270 OE2 GLU A 75 9.226 -12.631 7.261 1.00 0.00 O ATOM 0 H GLU A 75 4.381 -14.440 7.615 1.00 0.00 H new ATOM 0 HA GLU A 75 5.338 -14.952 10.335 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.305 -13.372 9.774 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.437 -15.048 9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.568 -14.327 6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.742 -12.669 7.531 1.00 0.00 H new ATOM 1277 N ASN A 76 3.505 -12.837 9.256 1.00 0.00 N ATOM 1278 CA ASN A 76 2.756 -11.599 9.460 1.00 0.00 C ATOM 1279 C ASN A 76 3.605 -10.378 9.118 1.00 0.00 C ATOM 1280 O ASN A 76 4.114 -9.694 10.007 1.00 0.00 O ATOM 1281 CB ASN A 76 2.272 -11.507 10.910 1.00 0.00 C ATOM 1282 CG ASN A 76 1.333 -12.638 11.278 1.00 0.00 C ATOM 1283 OD1 ASN A 76 1.767 -13.743 11.603 1.00 0.00 O ATOM 1284 ND2 ASN A 76 0.033 -12.366 11.230 1.00 0.00 N ATOM 0 H ASN A 76 2.998 -13.554 8.738 1.00 0.00 H new ATOM 0 HA ASN A 76 1.894 -11.614 8.793 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.132 -11.520 11.579 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.765 -10.554 11.061 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.648 -13.087 11.468 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.284 -11.436 10.955 1.00 0.00 H new ATOM 1291 N THR A 77 3.758 -10.111 7.825 1.00 0.00 N ATOM 1292 CA THR A 77 4.550 -8.972 7.372 1.00 0.00 C ATOM 1293 C THR A 77 3.855 -8.240 6.227 1.00 0.00 C ATOM 1294 O THR A 77 3.214 -8.859 5.377 1.00 0.00 O ATOM 1295 CB THR A 77 5.939 -9.441 6.929 1.00 0.00 C ATOM 1296 OG1 THR A 77 6.653 -9.990 8.022 1.00 0.00 O ATOM 1297 CG2 THR A 77 6.786 -8.337 6.335 1.00 0.00 C ATOM 0 H THR A 77 3.346 -10.665 7.074 1.00 0.00 H new ATOM 0 HA THR A 77 4.654 -8.278 8.206 1.00 0.00 H new ATOM 0 HB THR A 77 5.758 -10.189 6.157 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.537 -10.285 7.720 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.756 -8.740 6.043 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.285 -7.926 5.459 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.928 -7.549 7.075 1.00 0.00 H new ATOM 1305 N LEU A 78 3.994 -6.917 6.211 1.00 0.00 N ATOM 1306 CA LEU A 78 3.387 -6.095 5.171 1.00 0.00 C ATOM 1307 C LEU A 78 4.414 -5.751 4.096 1.00 0.00 C ATOM 1308 O LEU A 78 5.125 -4.753 4.199 1.00 0.00 O ATOM 1309 CB LEU A 78 2.815 -4.808 5.775 1.00 0.00 C ATOM 1310 CG LEU A 78 2.230 -3.821 4.764 1.00 0.00 C ATOM 1311 CD1 LEU A 78 1.180 -4.502 3.898 1.00 0.00 C ATOM 1312 CD2 LEU A 78 1.633 -2.618 5.480 1.00 0.00 C ATOM 0 H LEU A 78 4.522 -6.392 6.908 1.00 0.00 H new ATOM 0 HA LEU A 78 2.576 -6.663 4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.037 -5.075 6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.604 -4.306 6.335 1.00 0.00 H new ATOM 0 HG LEU A 78 3.035 -3.473 4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.775 -3.784 3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.636 -5.332 3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.376 -4.879 4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.221 -1.925 4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.840 -2.950 6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.409 -2.116 6.057 1.00 0.00 H new ATOM 1324 N PHE A 79 4.491 -6.591 3.071 1.00 0.00 N ATOM 1325 CA PHE A 79 5.435 -6.383 1.979 1.00 0.00 C ATOM 1326 C PHE A 79 4.810 -5.536 0.873 1.00 0.00 C ATOM 1327 O PHE A 79 3.968 -6.010 0.111 1.00 0.00 O ATOM 1328 CB PHE A 79 5.895 -7.737 1.423 1.00 0.00 C ATOM 1329 CG PHE A 79 6.618 -7.652 0.106 1.00 0.00 C ATOM 1330 CD1 PHE A 79 7.535 -6.640 -0.137 1.00 0.00 C ATOM 1331 CD2 PHE A 79 6.377 -8.587 -0.888 1.00 0.00 C ATOM 1332 CE1 PHE A 79 8.197 -6.567 -1.347 1.00 0.00 C ATOM 1333 CE2 PHE A 79 7.037 -8.517 -2.099 1.00 0.00 C ATOM 1334 CZ PHE A 79 7.948 -7.506 -2.329 1.00 0.00 C ATOM 0 H PHE A 79 3.910 -7.424 2.973 1.00 0.00 H new ATOM 0 HA PHE A 79 6.301 -5.845 2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.549 -8.213 2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.025 -8.383 1.306 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.733 -5.903 0.627 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.665 -9.380 -0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.910 -5.775 -1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.841 -9.252 -2.865 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.465 -7.449 -3.275 1.00 0.00 H new ATOM 1344 N LEU A 80 5.232 -4.277 0.793 1.00 0.00 N ATOM 1345 CA LEU A 80 4.718 -3.359 -0.216 1.00 0.00 C ATOM 1346 C LEU A 80 5.104 -3.824 -1.618 1.00 0.00 C ATOM 1347 O LEU A 80 5.918 -4.731 -1.778 1.00 0.00 O ATOM 1348 CB LEU A 80 5.252 -1.947 0.032 1.00 0.00 C ATOM 1349 CG LEU A 80 4.761 -1.288 1.325 1.00 0.00 C ATOM 1350 CD1 LEU A 80 5.898 -0.555 2.019 1.00 0.00 C ATOM 1351 CD2 LEU A 80 3.610 -0.336 1.033 1.00 0.00 C ATOM 0 H LEU A 80 5.929 -3.870 1.416 1.00 0.00 H new ATOM 0 HA LEU A 80 3.631 -3.346 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.341 -1.985 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.970 -1.315 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 80 4.401 -2.070 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.528 -0.094 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.691 -1.262 2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.291 0.217 1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.273 0.124 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.945 0.440 0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.786 -0.889 0.582 1.00 0.00 H new ATOM 1363 N VAL A 81 4.510 -3.196 -2.627 1.00 0.00 N ATOM 1364 CA VAL A 81 4.788 -3.548 -4.014 1.00 0.00 C ATOM 1365 C VAL A 81 4.951 -2.298 -4.876 1.00 0.00 C ATOM 1366 O VAL A 81 6.057 -1.970 -5.303 1.00 0.00 O ATOM 1367 CB VAL A 81 3.666 -4.430 -4.605 1.00 0.00 C ATOM 1368 CG1 VAL A 81 3.955 -4.779 -6.059 1.00 0.00 C ATOM 1369 CG2 VAL A 81 3.489 -5.693 -3.773 1.00 0.00 C ATOM 0 H VAL A 81 3.834 -2.441 -2.510 1.00 0.00 H new ATOM 0 HA VAL A 81 5.721 -4.111 -4.019 1.00 0.00 H new ATOM 0 HB VAL A 81 2.736 -3.863 -4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.150 -5.400 -6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.025 -3.863 -6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.897 -5.324 -6.122 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.695 -6.303 -4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.420 -6.259 -3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.225 -5.421 -2.751 1.00 0.00 H new ATOM 1379 N ARG A 82 3.845 -1.605 -5.126 1.00 0.00 N ATOM 1380 CA ARG A 82 3.871 -0.392 -5.938 1.00 0.00 C ATOM 1381 C ARG A 82 3.402 0.814 -5.131 1.00 0.00 C ATOM 1382 O ARG A 82 2.866 0.668 -4.033 1.00 0.00 O ATOM 1383 CB ARG A 82 2.991 -0.566 -7.179 1.00 0.00 C ATOM 1384 CG ARG A 82 3.770 -0.937 -8.431 1.00 0.00 C ATOM 1385 CD ARG A 82 3.462 0.007 -9.583 1.00 0.00 C ATOM 1386 NE ARG A 82 4.299 -0.261 -10.750 1.00 0.00 N ATOM 1387 CZ ARG A 82 4.072 -1.246 -11.616 1.00 0.00 C ATOM 1388 NH1 ARG A 82 3.035 -2.058 -11.451 1.00 0.00 N ATOM 1389 NH2 ARG A 82 4.883 -1.418 -12.651 1.00 0.00 N ATOM 0 H ARG A 82 2.921 -1.861 -4.779 1.00 0.00 H new ATOM 0 HA ARG A 82 4.900 -0.216 -6.252 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.248 -1.338 -6.982 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.447 0.361 -7.361 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.838 -0.913 -8.216 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.526 -1.959 -8.722 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.412 -0.090 -9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.612 1.037 -9.258 1.00 0.00 H new ATOM 0 HE ARG A 82 5.105 0.343 -10.911 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.407 -1.929 -10.657 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.866 -2.811 -12.118 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.680 -0.796 -12.783 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.710 -2.173 -13.315 1.00 0.00 H new ATOM 1403 N LEU A 83 3.607 2.005 -5.685 1.00 0.00 N ATOM 1404 CA LEU A 83 3.206 3.239 -5.019 1.00 0.00 C ATOM 1405 C LEU A 83 3.480 4.450 -5.905 1.00 0.00 C ATOM 1406 O LEU A 83 4.628 4.736 -6.242 1.00 0.00 O ATOM 1407 CB LEU A 83 3.945 3.390 -3.689 1.00 0.00 C ATOM 1408 CG LEU A 83 3.300 4.359 -2.696 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.638 3.964 -1.267 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.747 5.785 -2.977 1.00 0.00 C ATOM 0 H LEU A 83 4.049 2.141 -6.594 1.00 0.00 H new ATOM 0 HA LEU A 83 2.134 3.186 -4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.020 2.409 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.962 3.725 -3.892 1.00 0.00 H new ATOM 0 HG LEU A 83 2.218 4.307 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.170 4.665 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.267 2.958 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.719 3.985 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.279 6.461 -2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.831 5.852 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.452 6.066 -3.988 1.00 0.00 H new ATOM 1422 N GLY A 84 2.419 5.158 -6.276 1.00 0.00 N ATOM 1423 CA GLY A 84 2.568 6.330 -7.119 1.00 0.00 C ATOM 1424 C GLY A 84 1.290 6.682 -7.854 1.00 0.00 C ATOM 1425 O GLY A 84 0.193 6.459 -7.344 1.00 0.00 O ATOM 0 H GLY A 84 1.459 4.942 -6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.876 7.177 -6.507 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.363 6.154 -7.843 1.00 0.00 H new ATOM 1429 N SER A 85 1.432 7.233 -9.054 1.00 0.00 N ATOM 1430 CA SER A 85 0.279 7.615 -9.861 1.00 0.00 C ATOM 1431 C SER A 85 0.536 7.345 -11.340 1.00 0.00 C ATOM 1432 O SER A 85 1.618 7.628 -11.854 1.00 0.00 O ATOM 1433 CB SER A 85 -0.050 9.095 -9.651 1.00 0.00 C ATOM 1434 OG SER A 85 -1.450 9.310 -9.639 1.00 0.00 O ATOM 0 H SER A 85 2.334 7.425 -9.490 1.00 0.00 H new ATOM 0 HA SER A 85 -0.571 7.012 -9.542 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.381 9.437 -8.710 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.405 9.688 -10.444 1.00 0.00 H new ATOM 0 HG SER A 85 -1.726 9.616 -8.750 1.00 0.00 H new ATOM 1440 N HIS A 86 -0.466 6.794 -12.017 1.00 0.00 N ATOM 1441 CA HIS A 86 -0.350 6.483 -13.438 1.00 0.00 C ATOM 1442 C HIS A 86 -0.029 7.738 -14.246 1.00 0.00 C ATOM 1443 O HIS A 86 0.632 7.669 -15.283 1.00 0.00 O ATOM 1444 CB HIS A 86 -1.644 5.844 -13.949 1.00 0.00 C ATOM 1445 CG HIS A 86 -1.451 4.467 -14.503 1.00 0.00 C ATOM 1446 ND1 HIS A 86 -1.427 4.196 -15.855 1.00 0.00 N ATOM 1447 CD2 HIS A 86 -1.274 3.277 -13.880 1.00 0.00 C ATOM 1448 CE1 HIS A 86 -1.244 2.900 -16.039 1.00 0.00 C ATOM 1449 NE2 HIS A 86 -1.147 2.321 -14.856 1.00 0.00 N ATOM 0 H HIS A 86 -1.368 6.553 -11.605 1.00 0.00 H new ATOM 0 HA HIS A 86 0.469 5.775 -13.565 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -2.366 5.801 -13.133 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.074 6.481 -14.722 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.239 3.112 -12.813 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.184 2.400 -16.994 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -1.001 1.325 -14.694 1.00 0.00 H new ATOM 1458 N SER A 87 -0.501 8.884 -13.763 1.00 0.00 N ATOM 1459 CA SER A 87 -0.263 10.153 -14.442 1.00 0.00 C ATOM 1460 C SER A 87 1.161 10.642 -14.196 1.00 0.00 C ATOM 1461 O SER A 87 1.752 11.312 -15.040 1.00 0.00 O ATOM 1462 CB SER A 87 -1.265 11.205 -13.965 1.00 0.00 C ATOM 1463 OG SER A 87 -1.585 11.023 -12.596 1.00 0.00 O ATOM 0 H SER A 87 -1.049 8.959 -12.906 1.00 0.00 H new ATOM 0 HA SER A 87 -0.394 9.995 -15.512 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.849 12.201 -14.115 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.173 11.145 -14.565 1.00 0.00 H new ATOM 0 HG SER A 87 -2.226 11.709 -12.316 1.00 0.00 H new ATOM 1469 N GLU A 88 1.705 10.301 -13.030 1.00 0.00 N ATOM 1470 CA GLU A 88 3.060 10.706 -12.674 1.00 0.00 C ATOM 1471 C GLU A 88 4.091 9.795 -13.331 1.00 0.00 C ATOM 1472 O GLU A 88 4.989 10.259 -14.033 1.00 0.00 O ATOM 1473 CB GLU A 88 3.239 10.685 -11.155 1.00 0.00 C ATOM 1474 CG GLU A 88 4.292 11.659 -10.652 1.00 0.00 C ATOM 1475 CD GLU A 88 5.703 11.128 -10.812 1.00 0.00 C ATOM 1476 OE1 GLU A 88 6.077 10.198 -10.065 1.00 0.00 O ATOM 1477 OE2 GLU A 88 6.436 11.639 -11.684 1.00 0.00 O ATOM 0 H GLU A 88 1.229 9.747 -12.318 1.00 0.00 H new ATOM 0 HA GLU A 88 3.215 11.722 -13.037 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.285 10.918 -10.682 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.511 9.676 -10.844 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.199 12.600 -11.194 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.107 11.877 -9.600 1.00 0.00 H new ATOM 1484 N LEU A 89 3.955 8.493 -13.101 1.00 0.00 N ATOM 1485 CA LEU A 89 4.874 7.514 -13.672 1.00 0.00 C ATOM 1486 C LEU A 89 4.851 7.575 -15.196 1.00 0.00 C ATOM 1487 O LEU A 89 5.848 7.924 -15.829 1.00 0.00 O ATOM 1488 CB LEU A 89 4.509 6.105 -13.203 1.00 0.00 C ATOM 1489 CG LEU A 89 5.020 5.733 -11.810 1.00 0.00 C ATOM 1490 CD1 LEU A 89 4.004 6.117 -10.747 1.00 0.00 C ATOM 1491 CD2 LEU A 89 5.336 4.246 -11.740 1.00 0.00 C ATOM 0 H LEU A 89 3.217 8.091 -12.523 1.00 0.00 H new ATOM 0 HA LEU A 89 5.880 7.754 -13.329 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.424 6.005 -13.214 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.903 5.386 -13.922 1.00 0.00 H new ATOM 0 HG LEU A 89 5.938 6.289 -11.619 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.386 5.844 -9.763 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.829 7.192 -10.783 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.068 5.590 -10.931 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.698 3.998 -10.742 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.434 3.672 -11.952 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.102 4.002 -12.476 1.00 0.00 H new ATOM 1503 N PHE A 90 3.706 7.235 -15.778 1.00 0.00 N ATOM 1504 CA PHE A 90 3.552 7.250 -17.229 1.00 0.00 C ATOM 1505 C PHE A 90 3.631 8.675 -17.768 1.00 0.00 C ATOM 1506 O PHE A 90 3.859 8.835 -18.986 1.00 0.00 O ATOM 1507 CB PHE A 90 2.219 6.610 -17.625 1.00 0.00 C ATOM 1508 CG PHE A 90 2.373 5.388 -18.486 1.00 0.00 C ATOM 1509 CD1 PHE A 90 3.128 4.310 -18.051 1.00 0.00 C ATOM 1510 CD2 PHE A 90 1.762 5.317 -19.727 1.00 0.00 C ATOM 1511 CE1 PHE A 90 3.270 3.185 -18.840 1.00 0.00 C ATOM 1512 CE2 PHE A 90 1.901 4.194 -20.519 1.00 0.00 C ATOM 1513 CZ PHE A 90 2.657 3.126 -20.075 1.00 0.00 C ATOM 0 H PHE A 90 2.871 6.946 -15.268 1.00 0.00 H new ATOM 0 HA PHE A 90 4.367 6.672 -17.666 1.00 0.00 H new ATOM 0 HB2 PHE A 90 1.671 6.342 -16.722 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.616 7.346 -18.157 1.00 0.00 H new ATOM 0 HD1 PHE A 90 3.610 4.350 -17.085 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.170 6.149 -20.079 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.861 2.351 -18.490 1.00 0.00 H new ATOM 0 HE2 PHE A 90 1.419 4.151 -21.485 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.768 2.247 -20.693 1.00 0.00 H new TER 1523 PHE A 90