USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 764 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 65 THR OG1 : rot -58:sc= 0.94 USER MOD Set 1.2: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 19 GLN : amide:sc= -1.66! C(o=-2!,f=-4.9!) USER MOD Set 2.2: A 22 GLN : amide:sc= -0.317 K(o=-2,f=-2.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 0 (180deg=-0.0344) USER MOD Single : A 6 MET CE :methyl 144:sc= -0.416 (180deg=-1.38) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0198 K(o=-0.02,f=-1.1!) USER MOD Single : A 9 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.52) USER MOD Single : A 11 ASN : amide:sc= -2.64! K(o=-2.6!,f=0.029) USER MOD Single : A 17 THR OG1 : rot -160:sc= 0.978 USER MOD Single : A 18 ASN : amide:sc= -0.54 K(o=-0.54,f=-0.019) USER MOD Single : A 25 THR OG1 : rot 119:sc= 1.33 USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.265 USER MOD Single : A 32 LYS NZ :NH3+ 178:sc= 1.12 (180deg=1.06) USER MOD Single : A 34 LYS NZ :NH3+ -137:sc= -0.0219 (180deg=-1.02) USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 1.14 (180deg=1.07) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0299 USER MOD Single : A 50 GLN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0173) USER MOD Single : A 54 SER OG : rot 3:sc= 0.358 USER MOD Single : A 58 GLN : amide:sc= -3.51! C(o=-3.5!,f=-6.3!) USER MOD Single : A 60 GLN : amide:sc= 0.575 K(o=0.57,f=-0.028) USER MOD Single : A 61 HIS : no HD1:sc= 1.09 K(o=1.1,f=-4.7!) USER MOD Single : A 67 CYS SG : rot 138:sc= 0.613 USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= 1.19 (180deg=1.03) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.0448 X(o=0.045,f=-0.35) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -164:sc= -0.0358 (180deg=-0.275) USER MOD Single : A 89 HIS : no HD1:sc= -0.059 X(o=-0.059,f=-0.065) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 93 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.14) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.937 25.509 -15.788 1.00 0.00 N ATOM 2 CA MET A 1 -9.012 24.887 -14.813 1.00 0.00 C ATOM 3 C MET A 1 -7.997 25.911 -14.315 1.00 0.00 C ATOM 4 O MET A 1 -7.391 26.630 -15.110 1.00 0.00 O ATOM 5 CB MET A 1 -8.284 23.694 -15.443 1.00 0.00 C ATOM 6 CG MET A 1 -7.427 24.058 -16.646 1.00 0.00 C ATOM 7 SD MET A 1 -6.496 22.659 -17.292 1.00 0.00 S ATOM 8 CE MET A 1 -5.664 23.432 -18.677 1.00 0.00 C ATOM 0 H1 MET A 1 -10.579 24.784 -16.169 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.493 26.250 -15.315 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.390 25.930 -16.566 1.00 0.00 H new ATOM 0 HA MET A 1 -9.599 24.530 -13.967 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.652 23.227 -14.688 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.021 22.950 -15.746 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.066 24.457 -17.433 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.734 24.851 -16.365 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.043 22.695 -19.186 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.405 23.825 -19.373 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.037 24.247 -18.316 1.00 0.00 H new ATOM 20 N PRO A 2 -7.814 26.010 -12.992 1.00 0.00 N ATOM 21 CA PRO A 2 -6.849 26.931 -12.390 1.00 0.00 C ATOM 22 C PRO A 2 -5.408 26.468 -12.586 1.00 0.00 C ATOM 23 O PRO A 2 -4.615 27.128 -13.263 1.00 0.00 O ATOM 24 CB PRO A 2 -7.213 26.930 -10.897 1.00 0.00 C ATOM 25 CG PRO A 2 -8.506 26.190 -10.795 1.00 0.00 C ATOM 26 CD PRO A 2 -8.548 25.257 -11.969 1.00 0.00 C ATOM 0 HA PRO A 2 -6.900 27.919 -12.847 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.437 26.445 -10.305 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.313 27.947 -10.518 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.566 25.638 -9.857 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.351 26.878 -10.814 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.072 24.302 -11.747 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.570 25.039 -12.279 1.00 0.00 H new ATOM 34 N ASP A 3 -5.075 25.324 -12.003 1.00 0.00 N ATOM 35 CA ASP A 3 -3.719 24.803 -12.060 1.00 0.00 C ATOM 36 C ASP A 3 -3.650 23.567 -12.954 1.00 0.00 C ATOM 37 O ASP A 3 -4.631 22.831 -13.086 1.00 0.00 O ATOM 38 CB ASP A 3 -3.216 24.477 -10.650 1.00 0.00 C ATOM 39 CG ASP A 3 -3.928 23.300 -10.012 1.00 0.00 C ATOM 40 OD1 ASP A 3 -5.144 23.403 -9.749 1.00 0.00 O ATOM 41 OD2 ASP A 3 -3.261 22.278 -9.741 1.00 0.00 O ATOM 0 H ASP A 3 -5.729 24.739 -11.484 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.074 25.569 -12.491 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.148 24.265 -10.694 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -3.341 25.355 -10.016 1.00 0.00 H new ATOM 46 N PRO A 4 -2.492 23.340 -13.595 1.00 0.00 N ATOM 47 CA PRO A 4 -2.300 22.216 -14.520 1.00 0.00 C ATOM 48 C PRO A 4 -2.100 20.879 -13.808 1.00 0.00 C ATOM 49 O PRO A 4 -2.420 19.819 -14.353 1.00 0.00 O ATOM 50 CB PRO A 4 -1.028 22.609 -15.273 1.00 0.00 C ATOM 51 CG PRO A 4 -0.255 23.424 -14.295 1.00 0.00 C ATOM 52 CD PRO A 4 -1.277 24.176 -13.486 1.00 0.00 C ATOM 0 HA PRO A 4 -3.173 22.061 -15.154 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -0.466 21.730 -15.590 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -1.259 23.181 -16.172 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.359 22.789 -13.656 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.421 24.110 -14.806 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.961 24.291 -12.449 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.443 25.178 -13.882 1.00 0.00 H new ATOM 60 N LEU A 5 -1.578 20.926 -12.591 1.00 0.00 N ATOM 61 CA LEU A 5 -1.260 19.712 -11.856 1.00 0.00 C ATOM 62 C LEU A 5 -2.331 19.423 -10.809 1.00 0.00 C ATOM 63 O LEU A 5 -2.038 19.220 -9.632 1.00 0.00 O ATOM 64 CB LEU A 5 0.116 19.834 -11.198 1.00 0.00 C ATOM 65 CG LEU A 5 0.641 18.551 -10.554 1.00 0.00 C ATOM 66 CD1 LEU A 5 0.912 17.493 -11.612 1.00 0.00 C ATOM 67 CD2 LEU A 5 1.892 18.839 -9.740 1.00 0.00 C ATOM 0 H LEU A 5 -1.366 21.791 -12.093 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.235 18.879 -12.558 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.833 20.165 -11.949 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.070 20.612 -10.436 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.122 18.164 -9.879 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.285 16.587 -11.134 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.011 17.268 -12.146 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.657 17.865 -12.316 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.253 17.915 -9.288 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.663 19.250 -10.391 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.658 19.559 -8.956 1.00 0.00 H new ATOM 79 N MET A 6 -3.573 19.369 -11.260 1.00 0.00 N ATOM 80 CA MET A 6 -4.709 19.117 -10.376 1.00 0.00 C ATOM 81 C MET A 6 -4.712 17.673 -9.876 1.00 0.00 C ATOM 82 O MET A 6 -5.560 17.284 -9.073 1.00 0.00 O ATOM 83 CB MET A 6 -6.021 19.419 -11.105 1.00 0.00 C ATOM 84 CG MET A 6 -6.259 18.537 -12.323 1.00 0.00 C ATOM 85 SD MET A 6 -7.733 19.006 -13.252 1.00 0.00 S ATOM 86 CE MET A 6 -7.325 20.693 -13.689 1.00 0.00 C ATOM 0 H MET A 6 -3.826 19.497 -12.240 1.00 0.00 H new ATOM 0 HA MET A 6 -4.616 19.776 -9.513 1.00 0.00 H new ATOM 0 HB2 MET A 6 -6.851 19.294 -10.409 1.00 0.00 H new ATOM 0 HB3 MET A 6 -6.021 20.463 -11.417 1.00 0.00 H new ATOM 0 HG2 MET A 6 -5.390 18.590 -12.979 1.00 0.00 H new ATOM 0 HG3 MET A 6 -6.353 17.500 -12.001 1.00 0.00 H new ATOM 0 HE1 MET A 6 -7.709 20.914 -14.685 1.00 0.00 H new ATOM 0 HE2 MET A 6 -7.774 21.375 -12.967 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.242 20.819 -13.682 1.00 0.00 H new ATOM 96 N TYR A 7 -3.769 16.881 -10.370 1.00 0.00 N ATOM 97 CA TYR A 7 -3.646 15.491 -9.963 1.00 0.00 C ATOM 98 C TYR A 7 -2.652 15.352 -8.815 1.00 0.00 C ATOM 99 O TYR A 7 -2.916 14.657 -7.835 1.00 0.00 O ATOM 100 CB TYR A 7 -3.181 14.627 -11.139 1.00 0.00 C ATOM 101 CG TYR A 7 -4.061 14.718 -12.365 1.00 0.00 C ATOM 102 CD1 TYR A 7 -5.334 14.164 -12.374 1.00 0.00 C ATOM 103 CD2 TYR A 7 -3.617 15.358 -13.515 1.00 0.00 C ATOM 104 CE1 TYR A 7 -6.138 14.240 -13.496 1.00 0.00 C ATOM 105 CE2 TYR A 7 -4.412 15.437 -14.642 1.00 0.00 C ATOM 106 CZ TYR A 7 -5.673 14.878 -14.626 1.00 0.00 C ATOM 107 OH TYR A 7 -6.471 14.955 -15.745 1.00 0.00 O ATOM 0 H TYR A 7 -3.076 17.181 -11.056 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.627 15.152 -9.631 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.167 14.920 -11.411 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.136 13.587 -10.815 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.702 13.665 -11.490 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.633 15.802 -13.528 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.125 13.802 -13.487 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.049 15.933 -15.530 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.996 15.437 -16.453 1.00 0.00 H new ATOM 117 N GLN A 8 -1.506 16.026 -8.955 1.00 0.00 N ATOM 118 CA GLN A 8 -0.393 15.903 -8.005 1.00 0.00 C ATOM 119 C GLN A 8 0.083 14.455 -7.897 1.00 0.00 C ATOM 120 O GLN A 8 0.628 14.040 -6.873 1.00 0.00 O ATOM 121 CB GLN A 8 -0.780 16.432 -6.621 1.00 0.00 C ATOM 122 CG GLN A 8 -0.898 17.945 -6.554 1.00 0.00 C ATOM 123 CD GLN A 8 -1.057 18.448 -5.137 1.00 0.00 C ATOM 124 OE1 GLN A 8 -0.575 17.825 -4.188 1.00 0.00 O ATOM 125 NE2 GLN A 8 -1.710 19.584 -4.982 1.00 0.00 N ATOM 0 H GLN A 8 -1.323 16.669 -9.725 1.00 0.00 H new ATOM 0 HA GLN A 8 0.426 16.511 -8.389 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.731 15.989 -6.326 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.036 16.102 -5.895 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.011 18.396 -7.000 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.753 18.267 -7.149 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.093 20.067 -5.795 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.832 19.979 -4.050 1.00 0.00 H new ATOM 134 N GLN A 9 -0.094 13.704 -8.973 1.00 0.00 N ATOM 135 CA GLN A 9 0.287 12.303 -9.002 1.00 0.00 C ATOM 136 C GLN A 9 1.778 12.150 -9.273 1.00 0.00 C ATOM 137 O GLN A 9 2.250 12.409 -10.380 1.00 0.00 O ATOM 138 CB GLN A 9 -0.526 11.559 -10.062 1.00 0.00 C ATOM 139 CG GLN A 9 -2.013 11.490 -9.740 1.00 0.00 C ATOM 140 CD GLN A 9 -2.839 10.891 -10.862 1.00 0.00 C ATOM 141 OE1 GLN A 9 -4.014 11.215 -11.022 1.00 0.00 O ATOM 142 NE2 GLN A 9 -2.231 10.024 -11.655 1.00 0.00 N ATOM 0 H GLN A 9 -0.502 14.046 -9.843 1.00 0.00 H new ATOM 0 HA GLN A 9 0.075 11.869 -8.025 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.392 12.052 -11.025 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.136 10.546 -10.165 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -2.156 10.898 -8.836 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.379 12.494 -9.524 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.254 9.780 -11.490 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.739 9.600 -12.431 1.00 0.00 H new ATOM 151 N ASP A 10 2.512 11.744 -8.244 1.00 0.00 N ATOM 152 CA ASP A 10 3.945 11.499 -8.365 1.00 0.00 C ATOM 153 C ASP A 10 4.162 10.063 -8.836 1.00 0.00 C ATOM 154 O ASP A 10 3.203 9.296 -8.965 1.00 0.00 O ATOM 155 CB ASP A 10 4.638 11.727 -7.010 1.00 0.00 C ATOM 156 CG ASP A 10 6.132 12.022 -7.124 1.00 0.00 C ATOM 157 OD1 ASP A 10 6.751 11.668 -8.155 1.00 0.00 O ATOM 158 OD2 ASP A 10 6.693 12.617 -6.178 1.00 0.00 O ATOM 0 H ASP A 10 2.136 11.576 -7.311 1.00 0.00 H new ATOM 0 HA ASP A 10 4.376 12.190 -9.090 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.151 12.557 -6.499 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.498 10.843 -6.388 1.00 0.00 H new ATOM 163 N ASN A 11 5.408 9.693 -9.067 1.00 0.00 N ATOM 164 CA ASN A 11 5.732 8.364 -9.557 1.00 0.00 C ATOM 165 C ASN A 11 6.696 7.667 -8.605 1.00 0.00 C ATOM 166 O ASN A 11 7.661 8.263 -8.123 1.00 0.00 O ATOM 167 CB ASN A 11 6.306 8.401 -10.988 1.00 0.00 C ATOM 168 CG ASN A 11 7.693 9.030 -11.118 1.00 0.00 C ATOM 169 OD1 ASN A 11 8.502 8.574 -11.923 1.00 0.00 O ATOM 170 ND2 ASN A 11 7.974 10.090 -10.370 1.00 0.00 N ATOM 0 H ASN A 11 6.217 10.297 -8.923 1.00 0.00 H new ATOM 0 HA ASN A 11 4.804 7.793 -9.598 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.350 7.381 -11.371 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.614 8.951 -11.625 1.00 0.00 H new ATOM 0 HD21 ASN A 11 8.881 10.548 -10.455 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.283 10.446 -9.710 1.00 0.00 H new ATOM 177 N PHE A 12 6.416 6.408 -8.324 1.00 0.00 N ATOM 178 CA PHE A 12 7.192 5.648 -7.362 1.00 0.00 C ATOM 179 C PHE A 12 7.708 4.368 -8.001 1.00 0.00 C ATOM 180 O PHE A 12 6.974 3.684 -8.715 1.00 0.00 O ATOM 181 CB PHE A 12 6.329 5.309 -6.142 1.00 0.00 C ATOM 182 CG PHE A 12 5.568 6.486 -5.599 1.00 0.00 C ATOM 183 CD1 PHE A 12 6.192 7.416 -4.783 1.00 0.00 C ATOM 184 CD2 PHE A 12 4.231 6.669 -5.916 1.00 0.00 C ATOM 185 CE1 PHE A 12 5.497 8.504 -4.291 1.00 0.00 C ATOM 186 CE2 PHE A 12 3.530 7.754 -5.425 1.00 0.00 C ATOM 187 CZ PHE A 12 4.165 8.674 -4.612 1.00 0.00 C ATOM 0 H PHE A 12 5.651 5.887 -8.752 1.00 0.00 H new ATOM 0 HA PHE A 12 8.041 6.251 -7.041 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.623 4.524 -6.413 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.968 4.906 -5.356 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.234 7.289 -4.529 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.731 5.955 -6.554 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.995 9.221 -3.656 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.488 7.883 -5.676 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.620 9.524 -4.229 1.00 0.00 H new ATOM 197 N VAL A 13 8.968 4.052 -7.756 1.00 0.00 N ATOM 198 CA VAL A 13 9.542 2.822 -8.268 1.00 0.00 C ATOM 199 C VAL A 13 9.287 1.683 -7.292 1.00 0.00 C ATOM 200 O VAL A 13 9.888 1.606 -6.219 1.00 0.00 O ATOM 201 CB VAL A 13 11.051 2.958 -8.565 1.00 0.00 C ATOM 202 CG1 VAL A 13 11.269 3.777 -9.825 1.00 0.00 C ATOM 203 CG2 VAL A 13 11.783 3.600 -7.399 1.00 0.00 C ATOM 0 H VAL A 13 9.609 4.627 -7.209 1.00 0.00 H new ATOM 0 HA VAL A 13 9.052 2.600 -9.216 1.00 0.00 H new ATOM 0 HB VAL A 13 11.454 1.956 -8.714 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.338 3.864 -10.022 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.784 3.284 -10.668 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.842 4.771 -9.691 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.844 3.683 -7.636 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.374 4.593 -7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.658 2.985 -6.508 1.00 0.00 H new ATOM 213 N VAL A 14 8.354 0.827 -7.659 1.00 0.00 N ATOM 214 CA VAL A 14 7.941 -0.274 -6.808 1.00 0.00 C ATOM 215 C VAL A 14 8.808 -1.503 -7.041 1.00 0.00 C ATOM 216 O VAL A 14 9.075 -1.886 -8.180 1.00 0.00 O ATOM 217 CB VAL A 14 6.452 -0.615 -7.037 1.00 0.00 C ATOM 218 CG1 VAL A 14 6.042 -1.863 -6.266 1.00 0.00 C ATOM 219 CG2 VAL A 14 5.586 0.567 -6.634 1.00 0.00 C ATOM 0 H VAL A 14 7.862 0.873 -8.551 1.00 0.00 H new ATOM 0 HA VAL A 14 8.069 0.041 -5.772 1.00 0.00 H new ATOM 0 HB VAL A 14 6.308 -0.822 -8.097 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.989 -2.074 -6.450 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.645 -2.709 -6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.199 -1.700 -5.200 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.537 0.322 -6.797 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.746 0.793 -5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.853 1.436 -7.236 1.00 0.00 H new ATOM 229 N LEU A 15 9.254 -2.102 -5.953 1.00 0.00 N ATOM 230 CA LEU A 15 10.123 -3.262 -6.013 1.00 0.00 C ATOM 231 C LEU A 15 9.465 -4.456 -5.339 1.00 0.00 C ATOM 232 O LEU A 15 9.332 -4.490 -4.114 1.00 0.00 O ATOM 233 CB LEU A 15 11.457 -2.960 -5.327 1.00 0.00 C ATOM 234 CG LEU A 15 12.224 -1.759 -5.881 1.00 0.00 C ATOM 235 CD1 LEU A 15 13.455 -1.483 -5.039 1.00 0.00 C ATOM 236 CD2 LEU A 15 12.623 -1.994 -7.329 1.00 0.00 C ATOM 0 H LEU A 15 9.025 -1.800 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 15 10.303 -3.500 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.271 -2.792 -4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.093 -3.842 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 15 11.568 -0.890 -5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.990 -0.625 -5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.154 -1.269 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.107 -2.356 -5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.167 -1.126 -7.702 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.260 -2.877 -7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.728 -2.148 -7.933 1.00 0.00 H new ATOM 248 N GLU A 16 9.023 -5.415 -6.139 1.00 0.00 N ATOM 249 CA GLU A 16 8.512 -6.666 -5.607 1.00 0.00 C ATOM 250 C GLU A 16 9.536 -7.768 -5.812 1.00 0.00 C ATOM 251 O GLU A 16 10.336 -7.716 -6.743 1.00 0.00 O ATOM 252 CB GLU A 16 7.200 -7.073 -6.282 1.00 0.00 C ATOM 253 CG GLU A 16 6.031 -6.154 -5.984 1.00 0.00 C ATOM 254 CD GLU A 16 4.724 -6.696 -6.523 1.00 0.00 C ATOM 255 OE1 GLU A 16 4.076 -7.499 -5.821 1.00 0.00 O ATOM 256 OE2 GLU A 16 4.338 -6.325 -7.652 1.00 0.00 O ATOM 0 H GLU A 16 9.009 -5.350 -7.157 1.00 0.00 H new ATOM 0 HA GLU A 16 8.321 -6.519 -4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.355 -7.106 -7.360 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.941 -8.084 -5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.947 -6.014 -4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.222 -5.173 -6.419 1.00 0.00 H new ATOM 263 N THR A 17 9.511 -8.759 -4.940 1.00 0.00 N ATOM 264 CA THR A 17 10.367 -9.921 -5.093 1.00 0.00 C ATOM 265 C THR A 17 9.991 -10.685 -6.363 1.00 0.00 C ATOM 266 O THR A 17 10.851 -11.233 -7.055 1.00 0.00 O ATOM 267 CB THR A 17 10.246 -10.847 -3.873 1.00 0.00 C ATOM 268 OG1 THR A 17 10.251 -10.057 -2.678 1.00 0.00 O ATOM 269 CG2 THR A 17 11.393 -11.841 -3.822 1.00 0.00 C ATOM 0 H THR A 17 8.907 -8.783 -4.118 1.00 0.00 H new ATOM 0 HA THR A 17 11.399 -9.580 -5.171 1.00 0.00 H new ATOM 0 HB THR A 17 9.313 -11.404 -3.955 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.492 -10.621 -1.914 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.280 -12.482 -2.948 1.00 0.00 H new ATOM 0 HG22 THR A 17 11.385 -12.452 -4.724 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.338 -11.303 -3.757 1.00 0.00 H new ATOM 277 N ASN A 18 8.695 -10.696 -6.666 1.00 0.00 N ATOM 278 CA ASN A 18 8.185 -11.330 -7.878 1.00 0.00 C ATOM 279 C ASN A 18 8.537 -10.501 -9.108 1.00 0.00 C ATOM 280 O ASN A 18 9.237 -10.968 -10.004 1.00 0.00 O ATOM 281 CB ASN A 18 6.666 -11.504 -7.794 1.00 0.00 C ATOM 282 CG ASN A 18 6.233 -12.869 -7.281 1.00 0.00 C ATOM 283 OD1 ASN A 18 5.149 -13.345 -7.615 1.00 0.00 O ATOM 284 ND2 ASN A 18 7.064 -13.510 -6.474 1.00 0.00 N ATOM 0 H ASN A 18 7.975 -10.269 -6.083 1.00 0.00 H new ATOM 0 HA ASN A 18 8.652 -12.311 -7.967 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.257 -10.734 -7.140 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.236 -11.344 -8.783 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.813 -14.429 -6.109 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.955 -13.085 -6.218 1.00 0.00 H new ATOM 291 N GLN A 19 8.045 -9.269 -9.143 1.00 0.00 N ATOM 292 CA GLN A 19 8.302 -8.369 -10.260 1.00 0.00 C ATOM 293 C GLN A 19 9.141 -7.187 -9.772 1.00 0.00 C ATOM 294 O GLN A 19 8.623 -6.258 -9.151 1.00 0.00 O ATOM 295 CB GLN A 19 6.970 -7.887 -10.857 1.00 0.00 C ATOM 296 CG GLN A 19 7.045 -7.403 -12.306 1.00 0.00 C ATOM 297 CD GLN A 19 7.884 -6.153 -12.490 1.00 0.00 C ATOM 298 OE1 GLN A 19 7.390 -5.037 -12.351 1.00 0.00 O ATOM 299 NE2 GLN A 19 9.147 -6.330 -12.842 1.00 0.00 N ATOM 0 H GLN A 19 7.463 -8.869 -8.407 1.00 0.00 H new ATOM 0 HA GLN A 19 8.855 -8.893 -11.040 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.248 -8.702 -10.799 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.585 -7.076 -10.239 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.457 -8.200 -12.925 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.035 -7.208 -12.667 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.520 -7.274 -12.947 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.748 -5.523 -13.008 1.00 0.00 H new ATOM 308 N PRO A 20 10.456 -7.230 -10.015 1.00 0.00 N ATOM 309 CA PRO A 20 11.378 -6.186 -9.581 1.00 0.00 C ATOM 310 C PRO A 20 11.345 -4.955 -10.483 1.00 0.00 C ATOM 311 O PRO A 20 11.462 -5.067 -11.706 1.00 0.00 O ATOM 312 CB PRO A 20 12.758 -6.863 -9.653 1.00 0.00 C ATOM 313 CG PRO A 20 12.502 -8.287 -10.042 1.00 0.00 C ATOM 314 CD PRO A 20 11.161 -8.304 -10.712 1.00 0.00 C ATOM 0 HA PRO A 20 11.120 -5.816 -8.589 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.397 -6.368 -10.384 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.270 -6.807 -8.692 1.00 0.00 H new ATOM 0 HG2 PRO A 20 13.278 -8.652 -10.715 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.508 -8.937 -9.167 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.238 -8.113 -11.782 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.659 -9.264 -10.595 1.00 0.00 H new ATOM 322 N GLU A 21 11.173 -3.790 -9.861 1.00 0.00 N ATOM 323 CA GLU A 21 11.253 -2.497 -10.540 1.00 0.00 C ATOM 324 C GLU A 21 10.070 -2.256 -11.472 1.00 0.00 C ATOM 325 O GLU A 21 10.062 -2.703 -12.623 1.00 0.00 O ATOM 326 CB GLU A 21 12.562 -2.361 -11.318 1.00 0.00 C ATOM 327 CG GLU A 21 12.748 -0.993 -11.948 1.00 0.00 C ATOM 328 CD GLU A 21 13.936 -0.943 -12.877 1.00 0.00 C ATOM 329 OE1 GLU A 21 15.068 -0.755 -12.388 1.00 0.00 O ATOM 330 OE2 GLU A 21 13.744 -1.097 -14.103 1.00 0.00 O ATOM 0 H GLU A 21 10.973 -3.716 -8.864 1.00 0.00 H new ATOM 0 HA GLU A 21 11.222 -1.738 -9.759 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.397 -2.561 -10.647 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.592 -3.120 -12.100 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.847 -0.725 -12.500 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.874 -0.248 -11.162 1.00 0.00 H new ATOM 337 N GLN A 22 9.073 -1.554 -10.963 1.00 0.00 N ATOM 338 CA GLN A 22 7.967 -1.082 -11.775 1.00 0.00 C ATOM 339 C GLN A 22 7.565 0.315 -11.315 1.00 0.00 C ATOM 340 O GLN A 22 7.231 0.514 -10.150 1.00 0.00 O ATOM 341 CB GLN A 22 6.773 -2.034 -11.680 1.00 0.00 C ATOM 342 CG GLN A 22 5.723 -1.785 -12.751 1.00 0.00 C ATOM 343 CD GLN A 22 6.250 -2.038 -14.153 1.00 0.00 C ATOM 344 OE1 GLN A 22 5.851 -1.373 -15.109 1.00 0.00 O ATOM 345 NE2 GLN A 22 7.139 -3.013 -14.291 1.00 0.00 N ATOM 0 H GLN A 22 9.008 -1.296 -9.978 1.00 0.00 H new ATOM 0 HA GLN A 22 8.285 -1.047 -12.817 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.128 -3.061 -11.760 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.312 -1.932 -10.698 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.863 -2.429 -12.568 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.372 -0.756 -12.679 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.446 -3.543 -13.475 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.516 -3.233 -15.213 1.00 0.00 H new ATOM 354 N PHE A 23 7.625 1.284 -12.216 1.00 0.00 N ATOM 355 CA PHE A 23 7.296 2.658 -11.866 1.00 0.00 C ATOM 356 C PHE A 23 5.790 2.884 -11.943 1.00 0.00 C ATOM 357 O PHE A 23 5.182 2.773 -13.010 1.00 0.00 O ATOM 358 CB PHE A 23 8.061 3.654 -12.758 1.00 0.00 C ATOM 359 CG PHE A 23 7.841 3.482 -14.240 1.00 0.00 C ATOM 360 CD1 PHE A 23 8.471 2.464 -14.940 1.00 0.00 C ATOM 361 CD2 PHE A 23 7.005 4.346 -14.934 1.00 0.00 C ATOM 362 CE1 PHE A 23 8.273 2.311 -16.297 1.00 0.00 C ATOM 363 CE2 PHE A 23 6.805 4.194 -16.292 1.00 0.00 C ATOM 364 CZ PHE A 23 7.438 3.175 -16.973 1.00 0.00 C ATOM 0 H PHE A 23 7.897 1.146 -13.189 1.00 0.00 H new ATOM 0 HA PHE A 23 7.609 2.834 -10.837 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.770 4.667 -12.478 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.127 3.559 -12.551 1.00 0.00 H new ATOM 0 HD1 PHE A 23 9.125 1.782 -14.416 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.506 5.145 -14.406 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.772 1.515 -16.829 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.153 4.873 -16.821 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.280 3.054 -18.034 1.00 0.00 H new ATOM 374 N LEU A 24 5.187 3.172 -10.799 1.00 0.00 N ATOM 375 CA LEU A 24 3.753 3.403 -10.730 1.00 0.00 C ATOM 376 C LEU A 24 3.482 4.851 -10.368 1.00 0.00 C ATOM 377 O LEU A 24 4.272 5.476 -9.662 1.00 0.00 O ATOM 378 CB LEU A 24 3.091 2.516 -9.666 1.00 0.00 C ATOM 379 CG LEU A 24 3.556 1.061 -9.591 1.00 0.00 C ATOM 380 CD1 LEU A 24 2.753 0.315 -8.542 1.00 0.00 C ATOM 381 CD2 LEU A 24 3.429 0.363 -10.929 1.00 0.00 C ATOM 0 H LEU A 24 5.670 3.251 -9.904 1.00 0.00 H new ATOM 0 HA LEU A 24 3.337 3.162 -11.708 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.256 2.975 -8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.015 2.520 -9.843 1.00 0.00 H new ATOM 0 HG LEU A 24 4.610 1.062 -9.314 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.090 -0.721 -8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.895 0.788 -7.570 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.696 0.341 -8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.769 -0.668 -10.835 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.387 0.374 -11.248 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.040 0.880 -11.669 1.00 0.00 H new ATOM 393 N THR A 25 2.377 5.387 -10.850 1.00 0.00 N ATOM 394 CA THR A 25 1.918 6.682 -10.397 1.00 0.00 C ATOM 395 C THR A 25 1.111 6.517 -9.109 1.00 0.00 C ATOM 396 O THR A 25 0.869 5.391 -8.666 1.00 0.00 O ATOM 397 CB THR A 25 1.072 7.383 -11.475 1.00 0.00 C ATOM 398 OG1 THR A 25 0.857 6.494 -12.580 1.00 0.00 O ATOM 399 CG2 THR A 25 1.760 8.648 -11.965 1.00 0.00 C ATOM 0 H THR A 25 1.784 4.946 -11.553 1.00 0.00 H new ATOM 0 HA THR A 25 2.788 7.309 -10.201 1.00 0.00 H new ATOM 0 HB THR A 25 0.114 7.657 -11.034 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.103 6.331 -12.687 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.143 9.126 -12.726 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.900 9.333 -11.129 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.730 8.393 -12.392 1.00 0.00 H new ATOM 407 N THR A 26 0.701 7.628 -8.509 1.00 0.00 N ATOM 408 CA THR A 26 -0.007 7.599 -7.233 1.00 0.00 C ATOM 409 C THR A 26 -1.249 6.700 -7.275 1.00 0.00 C ATOM 410 O THR A 26 -1.474 5.911 -6.359 1.00 0.00 O ATOM 411 CB THR A 26 -0.407 9.024 -6.806 1.00 0.00 C ATOM 412 OG1 THR A 26 0.737 9.879 -6.906 1.00 0.00 O ATOM 413 CG2 THR A 26 -0.933 9.043 -5.377 1.00 0.00 C ATOM 0 H THR A 26 0.847 8.564 -8.887 1.00 0.00 H new ATOM 0 HA THR A 26 0.680 7.177 -6.499 1.00 0.00 H new ATOM 0 HB THR A 26 -1.201 9.375 -7.465 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.670 10.594 -6.239 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.207 10.062 -5.104 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.809 8.399 -5.303 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.159 8.682 -4.700 1.00 0.00 H new ATOM 421 N ILE A 27 -2.029 6.796 -8.347 1.00 0.00 N ATOM 422 CA ILE A 27 -3.271 6.033 -8.453 1.00 0.00 C ATOM 423 C ILE A 27 -2.981 4.549 -8.668 1.00 0.00 C ATOM 424 O ILE A 27 -3.560 3.687 -8.003 1.00 0.00 O ATOM 425 CB ILE A 27 -4.158 6.554 -9.607 1.00 0.00 C ATOM 426 CG1 ILE A 27 -4.462 8.045 -9.418 1.00 0.00 C ATOM 427 CG2 ILE A 27 -5.452 5.755 -9.696 1.00 0.00 C ATOM 428 CD1 ILE A 27 -5.166 8.371 -8.117 1.00 0.00 C ATOM 0 H ILE A 27 -1.826 7.390 -9.151 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.808 6.163 -7.514 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.612 6.426 -10.542 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.528 8.604 -9.463 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.079 8.387 -10.249 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.061 6.139 -10.515 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.220 4.706 -9.877 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.002 5.848 -8.760 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.345 9.445 -8.059 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.118 7.842 -8.076 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.542 8.062 -7.278 1.00 0.00 H new ATOM 440 N GLU A 28 -2.074 4.268 -9.593 1.00 0.00 N ATOM 441 CA GLU A 28 -1.674 2.903 -9.917 1.00 0.00 C ATOM 442 C GLU A 28 -1.149 2.175 -8.684 1.00 0.00 C ATOM 443 O GLU A 28 -1.441 0.994 -8.472 1.00 0.00 O ATOM 444 CB GLU A 28 -0.598 2.915 -11.011 1.00 0.00 C ATOM 445 CG GLU A 28 -1.113 3.277 -12.401 1.00 0.00 C ATOM 446 CD GLU A 28 -1.913 4.566 -12.436 1.00 0.00 C ATOM 447 OE1 GLU A 28 -1.432 5.588 -11.902 1.00 0.00 O ATOM 448 OE2 GLU A 28 -3.024 4.560 -13.002 1.00 0.00 O ATOM 0 H GLU A 28 -1.593 4.981 -10.142 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.554 2.371 -10.279 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.180 3.624 -10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.132 1.931 -11.055 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.266 3.366 -13.081 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.735 2.463 -12.772 1.00 0.00 H new ATOM 455 N LEU A 29 -0.372 2.883 -7.873 1.00 0.00 N ATOM 456 CA LEU A 29 0.175 2.311 -6.652 1.00 0.00 C ATOM 457 C LEU A 29 -0.919 2.156 -5.602 1.00 0.00 C ATOM 458 O LEU A 29 -0.925 1.186 -4.844 1.00 0.00 O ATOM 459 CB LEU A 29 1.325 3.175 -6.123 1.00 0.00 C ATOM 460 CG LEU A 29 2.000 2.666 -4.844 1.00 0.00 C ATOM 461 CD1 LEU A 29 2.437 1.217 -4.997 1.00 0.00 C ATOM 462 CD2 LEU A 29 3.193 3.541 -4.504 1.00 0.00 C ATOM 0 H LEU A 29 -0.107 3.854 -8.040 1.00 0.00 H new ATOM 0 HA LEU A 29 0.572 1.321 -6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.081 3.259 -6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.945 4.180 -5.937 1.00 0.00 H new ATOM 0 HG LEU A 29 1.276 2.717 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.913 0.881 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.567 0.594 -5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.145 1.136 -5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.667 3.173 -3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.911 3.512 -5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.859 4.567 -4.349 1.00 0.00 H new ATOM 474 N LEU A 30 -1.848 3.106 -5.573 1.00 0.00 N ATOM 475 CA LEU A 30 -3.002 3.021 -4.685 1.00 0.00 C ATOM 476 C LEU A 30 -3.764 1.724 -4.911 1.00 0.00 C ATOM 477 O LEU A 30 -3.933 0.930 -3.990 1.00 0.00 O ATOM 478 CB LEU A 30 -3.942 4.209 -4.906 1.00 0.00 C ATOM 479 CG LEU A 30 -3.663 5.438 -4.041 1.00 0.00 C ATOM 480 CD1 LEU A 30 -4.518 6.613 -4.492 1.00 0.00 C ATOM 481 CD2 LEU A 30 -3.937 5.114 -2.581 1.00 0.00 C ATOM 0 H LEU A 30 -1.824 3.944 -6.154 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.634 3.042 -3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.887 4.504 -5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.965 3.880 -4.721 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.615 5.716 -4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.306 7.479 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.289 6.852 -5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.572 6.351 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.736 5.994 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.980 4.820 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.291 4.296 -2.263 1.00 0.00 H new ATOM 493 N GLU A 31 -4.197 1.507 -6.145 1.00 0.00 N ATOM 494 CA GLU A 31 -4.986 0.329 -6.492 1.00 0.00 C ATOM 495 C GLU A 31 -4.197 -0.958 -6.257 1.00 0.00 C ATOM 496 O GLU A 31 -4.767 -2.004 -5.941 1.00 0.00 O ATOM 497 CB GLU A 31 -5.443 0.421 -7.944 1.00 0.00 C ATOM 498 CG GLU A 31 -6.283 1.654 -8.223 1.00 0.00 C ATOM 499 CD GLU A 31 -6.747 1.726 -9.657 1.00 0.00 C ATOM 500 OE1 GLU A 31 -7.723 1.032 -10.003 1.00 0.00 O ATOM 501 OE2 GLU A 31 -6.145 2.478 -10.447 1.00 0.00 O ATOM 0 H GLU A 31 -4.015 2.134 -6.928 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.862 0.300 -5.844 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.569 0.429 -8.595 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.019 -0.469 -8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.151 1.655 -7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.702 2.546 -7.987 1.00 0.00 H new ATOM 508 N LYS A 32 -2.885 -0.875 -6.407 1.00 0.00 N ATOM 509 CA LYS A 32 -2.017 -2.008 -6.133 1.00 0.00 C ATOM 510 C LYS A 32 -2.016 -2.312 -4.637 1.00 0.00 C ATOM 511 O LYS A 32 -2.211 -3.456 -4.225 1.00 0.00 O ATOM 512 CB LYS A 32 -0.603 -1.706 -6.622 1.00 0.00 C ATOM 513 CG LYS A 32 0.349 -2.887 -6.544 1.00 0.00 C ATOM 514 CD LYS A 32 1.686 -2.536 -7.174 1.00 0.00 C ATOM 515 CE LYS A 32 2.660 -3.701 -7.163 1.00 0.00 C ATOM 516 NZ LYS A 32 2.135 -4.891 -7.884 1.00 0.00 N ATOM 0 H LYS A 32 -2.398 -0.034 -6.717 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.388 -2.885 -6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.654 -1.362 -7.655 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.195 -0.885 -6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.495 -3.175 -5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.086 -3.746 -7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.525 -2.211 -8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.126 -1.694 -6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.599 -3.389 -7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.882 -3.974 -6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.851 -5.645 -7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.271 -5.229 -7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.915 -4.632 -8.867 1.00 0.00 H new ATOM 530 N LEU A 33 -1.827 -1.272 -3.832 1.00 0.00 N ATOM 531 CA LEU A 33 -1.820 -1.415 -2.381 1.00 0.00 C ATOM 532 C LEU A 33 -3.191 -1.828 -1.857 1.00 0.00 C ATOM 533 O LEU A 33 -3.282 -2.638 -0.948 1.00 0.00 O ATOM 534 CB LEU A 33 -1.387 -0.111 -1.706 1.00 0.00 C ATOM 535 CG LEU A 33 0.088 0.261 -1.873 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.364 1.624 -1.264 1.00 0.00 C ATOM 537 CD2 LEU A 33 0.979 -0.791 -1.235 1.00 0.00 C ATOM 0 H LEU A 33 -1.676 -0.318 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.103 -2.199 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.995 0.702 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.607 -0.184 -0.641 1.00 0.00 H new ATOM 0 HG LEU A 33 0.312 0.304 -2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.418 1.873 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.249 2.376 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.122 1.603 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.024 -0.509 -1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.751 -0.864 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.802 -1.755 -1.711 1.00 0.00 H new ATOM 549 N LYS A 34 -4.248 -1.268 -2.437 1.00 0.00 N ATOM 550 CA LYS A 34 -5.618 -1.553 -2.005 1.00 0.00 C ATOM 551 C LYS A 34 -5.934 -3.046 -2.078 1.00 0.00 C ATOM 552 O LYS A 34 -6.502 -3.610 -1.147 1.00 0.00 O ATOM 553 CB LYS A 34 -6.619 -0.765 -2.857 1.00 0.00 C ATOM 554 CG LYS A 34 -6.575 0.736 -2.617 1.00 0.00 C ATOM 555 CD LYS A 34 -7.315 1.528 -3.693 1.00 0.00 C ATOM 556 CE LYS A 34 -8.826 1.377 -3.597 1.00 0.00 C ATOM 557 NZ LYS A 34 -9.331 0.164 -4.298 1.00 0.00 N ATOM 0 H LYS A 34 -4.184 -0.609 -3.213 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.705 -1.242 -0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.421 -0.962 -3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.625 -1.128 -2.649 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.013 0.957 -1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.536 1.064 -2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.053 2.583 -3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.982 1.196 -4.676 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.116 1.331 -2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.302 2.261 -4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.190 0.404 -4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.603 -0.187 -4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.553 -0.573 -3.599 1.00 0.00 H new ATOM 571 N GLY A 35 -5.541 -3.686 -3.173 1.00 0.00 N ATOM 572 CA GLY A 35 -5.826 -5.100 -3.341 1.00 0.00 C ATOM 573 C GLY A 35 -4.943 -5.945 -2.455 1.00 0.00 C ATOM 574 O GLY A 35 -5.400 -6.900 -1.814 1.00 0.00 O ATOM 0 H GLY A 35 -5.032 -3.254 -3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.873 -5.293 -3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.676 -5.382 -4.383 1.00 0.00 H new ATOM 578 N GLU A 36 -3.678 -5.566 -2.407 1.00 0.00 N ATOM 579 CA GLU A 36 -2.697 -6.224 -1.567 1.00 0.00 C ATOM 580 C GLU A 36 -3.137 -6.162 -0.106 1.00 0.00 C ATOM 581 O GLU A 36 -3.077 -7.152 0.619 1.00 0.00 O ATOM 582 CB GLU A 36 -1.350 -5.523 -1.741 1.00 0.00 C ATOM 583 CG GLU A 36 -0.178 -6.465 -1.937 1.00 0.00 C ATOM 584 CD GLU A 36 -0.301 -7.309 -3.191 1.00 0.00 C ATOM 585 OE1 GLU A 36 -0.517 -6.742 -4.278 1.00 0.00 O ATOM 586 OE2 GLU A 36 -0.175 -8.546 -3.094 1.00 0.00 O ATOM 0 H GLU A 36 -3.302 -4.790 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.605 -7.271 -1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.410 -4.853 -2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.160 -4.903 -0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.744 -5.885 -1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.097 -7.121 -1.070 1.00 0.00 H new ATOM 593 N LEU A 37 -3.607 -4.989 0.292 1.00 0.00 N ATOM 594 CA LEU A 37 -4.027 -4.724 1.660 1.00 0.00 C ATOM 595 C LEU A 37 -5.320 -5.455 2.010 1.00 0.00 C ATOM 596 O LEU A 37 -5.441 -6.015 3.095 1.00 0.00 O ATOM 597 CB LEU A 37 -4.210 -3.214 1.853 1.00 0.00 C ATOM 598 CG LEU A 37 -4.728 -2.774 3.221 1.00 0.00 C ATOM 599 CD1 LEU A 37 -3.746 -3.154 4.319 1.00 0.00 C ATOM 600 CD2 LEU A 37 -4.980 -1.275 3.227 1.00 0.00 C ATOM 0 H LEU A 37 -3.708 -4.188 -0.331 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.251 -5.095 2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.252 -2.726 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.900 -2.851 1.091 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.669 -3.289 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.136 -2.831 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.609 -4.235 4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.788 -2.669 4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.349 -0.972 4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.050 -0.749 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.722 -1.028 2.468 1.00 0.00 H new ATOM 612 N GLU A 38 -6.284 -5.461 1.091 1.00 0.00 N ATOM 613 CA GLU A 38 -7.595 -6.035 1.390 1.00 0.00 C ATOM 614 C GLU A 38 -7.525 -7.550 1.543 1.00 0.00 C ATOM 615 O GLU A 38 -8.385 -8.145 2.188 1.00 0.00 O ATOM 616 CB GLU A 38 -8.642 -5.652 0.336 1.00 0.00 C ATOM 617 CG GLU A 38 -8.383 -6.225 -1.044 1.00 0.00 C ATOM 618 CD GLU A 38 -9.518 -5.943 -2.006 1.00 0.00 C ATOM 619 OE1 GLU A 38 -9.568 -4.833 -2.573 1.00 0.00 O ATOM 620 OE2 GLU A 38 -10.370 -6.831 -2.201 1.00 0.00 O ATOM 0 H GLU A 38 -6.186 -5.082 0.149 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.909 -5.611 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.622 -5.987 0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.685 -4.565 0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.459 -5.805 -1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.235 -7.302 -0.966 1.00 0.00 H new ATOM 627 N LYS A 39 -6.510 -8.186 0.955 1.00 0.00 N ATOM 628 CA LYS A 39 -6.329 -9.620 1.162 1.00 0.00 C ATOM 629 C LYS A 39 -5.380 -9.896 2.329 1.00 0.00 C ATOM 630 O LYS A 39 -5.077 -11.050 2.632 1.00 0.00 O ATOM 631 CB LYS A 39 -5.859 -10.324 -0.112 1.00 0.00 C ATOM 632 CG LYS A 39 -4.543 -9.819 -0.679 1.00 0.00 C ATOM 633 CD LYS A 39 -4.218 -10.520 -1.990 1.00 0.00 C ATOM 634 CE LYS A 39 -2.972 -9.951 -2.645 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.756 -10.169 -1.820 1.00 0.00 N ATOM 0 H LYS A 39 -5.819 -7.744 0.348 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.304 -10.034 1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.763 -11.390 0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.631 -10.216 -0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.600 -8.743 -0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.742 -9.991 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.077 -11.585 -1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.063 -10.423 -2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.834 -10.413 -3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.108 -8.883 -2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.921 -9.826 -2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.847 -9.650 -0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.648 -11.184 -1.623 1.00 0.00 H new ATOM 649 N ILE A 40 -4.918 -8.834 2.979 1.00 0.00 N ATOM 650 CA ILE A 40 -4.183 -8.962 4.234 1.00 0.00 C ATOM 651 C ILE A 40 -5.187 -9.012 5.385 1.00 0.00 C ATOM 652 O ILE A 40 -6.250 -8.389 5.312 1.00 0.00 O ATOM 653 CB ILE A 40 -3.159 -7.798 4.438 1.00 0.00 C ATOM 654 CG1 ILE A 40 -1.723 -8.283 4.178 1.00 0.00 C ATOM 655 CG2 ILE A 40 -3.254 -7.179 5.832 1.00 0.00 C ATOM 656 CD1 ILE A 40 -1.464 -8.728 2.757 1.00 0.00 C ATOM 0 H ILE A 40 -5.039 -7.873 2.658 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.601 -9.883 4.206 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.415 -7.024 3.714 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.030 -7.479 4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.504 -9.112 4.851 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.523 -6.376 5.924 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.256 -6.777 5.984 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.051 -7.942 6.584 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.428 -9.054 2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.129 -9.555 2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.647 -7.897 2.076 1.00 0.00 H new ATOM 668 N SER A 41 -4.873 -9.777 6.421 1.00 0.00 N ATOM 669 CA SER A 41 -5.769 -9.915 7.561 1.00 0.00 C ATOM 670 C SER A 41 -6.035 -8.556 8.209 1.00 0.00 C ATOM 671 O SER A 41 -5.103 -7.820 8.539 1.00 0.00 O ATOM 672 CB SER A 41 -5.166 -10.879 8.581 1.00 0.00 C ATOM 673 OG SER A 41 -4.751 -12.082 7.950 1.00 0.00 O ATOM 0 H SER A 41 -4.007 -10.310 6.496 1.00 0.00 H new ATOM 0 HA SER A 41 -6.720 -10.316 7.210 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.315 -10.409 9.074 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.900 -11.103 9.355 1.00 0.00 H new ATOM 0 HG SER A 41 -4.366 -12.686 8.619 1.00 0.00 H new ATOM 679 N PHE A 42 -7.309 -8.231 8.392 1.00 0.00 N ATOM 680 CA PHE A 42 -7.698 -6.941 8.959 1.00 0.00 C ATOM 681 C PHE A 42 -7.299 -6.850 10.428 1.00 0.00 C ATOM 682 O PHE A 42 -7.245 -5.765 11.003 1.00 0.00 O ATOM 683 CB PHE A 42 -9.202 -6.708 8.799 1.00 0.00 C ATOM 684 CG PHE A 42 -9.629 -6.535 7.369 1.00 0.00 C ATOM 685 CD1 PHE A 42 -9.422 -5.333 6.713 1.00 0.00 C ATOM 686 CD2 PHE A 42 -10.231 -7.575 6.678 1.00 0.00 C ATOM 687 CE1 PHE A 42 -9.808 -5.170 5.395 1.00 0.00 C ATOM 688 CE2 PHE A 42 -10.619 -7.418 5.361 1.00 0.00 C ATOM 689 CZ PHE A 42 -10.405 -6.214 4.719 1.00 0.00 C ATOM 0 H PHE A 42 -8.092 -8.841 8.157 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.169 -6.161 8.411 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.741 -7.551 9.232 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.487 -5.822 9.366 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.953 -4.513 7.237 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.399 -8.519 7.175 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.642 -4.227 4.896 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.089 -8.236 4.835 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.705 -6.090 3.689 1.00 0.00 H new ATOM 699 N SER A 43 -7.016 -7.997 11.027 1.00 0.00 N ATOM 700 CA SER A 43 -6.530 -8.050 12.394 1.00 0.00 C ATOM 701 C SER A 43 -5.001 -8.121 12.425 1.00 0.00 C ATOM 702 O SER A 43 -4.395 -8.362 13.471 1.00 0.00 O ATOM 703 CB SER A 43 -7.143 -9.254 13.112 1.00 0.00 C ATOM 704 OG SER A 43 -7.151 -10.401 12.272 1.00 0.00 O ATOM 0 H SER A 43 -7.116 -8.909 10.582 1.00 0.00 H new ATOM 0 HA SER A 43 -6.831 -7.139 12.911 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.577 -9.467 14.019 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.162 -9.018 13.420 1.00 0.00 H new ATOM 0 HG SER A 43 -7.546 -11.157 12.754 1.00 0.00 H new ATOM 710 N ASP A 44 -4.385 -7.913 11.268 1.00 0.00 N ATOM 711 CA ASP A 44 -2.930 -7.937 11.157 1.00 0.00 C ATOM 712 C ASP A 44 -2.396 -6.559 10.783 1.00 0.00 C ATOM 713 O ASP A 44 -1.310 -6.169 11.206 1.00 0.00 O ATOM 714 CB ASP A 44 -2.495 -8.968 10.111 1.00 0.00 C ATOM 715 CG ASP A 44 -0.989 -9.112 10.019 1.00 0.00 C ATOM 716 OD1 ASP A 44 -0.422 -9.930 10.771 1.00 0.00 O ATOM 717 OD2 ASP A 44 -0.367 -8.428 9.177 1.00 0.00 O ATOM 0 H ASP A 44 -4.871 -7.725 10.391 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.518 -8.218 12.126 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.934 -9.935 10.357 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.888 -8.678 9.136 1.00 0.00 H new ATOM 722 N LEU A 45 -3.171 -5.824 9.993 1.00 0.00 N ATOM 723 CA LEU A 45 -2.764 -4.498 9.538 1.00 0.00 C ATOM 724 C LEU A 45 -2.664 -3.508 10.708 1.00 0.00 C ATOM 725 O LEU A 45 -3.344 -3.663 11.726 1.00 0.00 O ATOM 726 CB LEU A 45 -3.716 -3.986 8.441 1.00 0.00 C ATOM 727 CG LEU A 45 -5.219 -4.114 8.720 1.00 0.00 C ATOM 728 CD1 LEU A 45 -5.701 -3.029 9.667 1.00 0.00 C ATOM 729 CD2 LEU A 45 -6.001 -4.063 7.417 1.00 0.00 C ATOM 0 H LEU A 45 -4.085 -6.123 9.654 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.767 -4.580 9.105 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.492 -2.935 8.259 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.494 -4.524 7.519 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.391 -5.077 9.201 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.770 -3.149 9.844 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.166 -3.108 10.613 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.514 -2.051 9.225 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.066 -4.155 7.628 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.811 -3.114 6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.687 -4.884 6.772 1.00 0.00 H new ATOM 741 N PRO A 46 -1.788 -2.491 10.577 1.00 0.00 N ATOM 742 CA PRO A 46 -1.530 -1.496 11.634 1.00 0.00 C ATOM 743 C PRO A 46 -2.796 -0.800 12.141 1.00 0.00 C ATOM 744 O PRO A 46 -3.811 -0.737 11.443 1.00 0.00 O ATOM 745 CB PRO A 46 -0.608 -0.483 10.950 1.00 0.00 C ATOM 746 CG PRO A 46 0.060 -1.248 9.865 1.00 0.00 C ATOM 747 CD PRO A 46 -0.957 -2.243 9.383 1.00 0.00 C ATOM 0 HA PRO A 46 -1.104 -1.966 12.521 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.173 0.359 10.550 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.120 -0.074 11.651 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.375 -0.588 9.057 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.955 -1.750 10.233 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.548 -1.845 8.558 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.485 -3.158 9.025 1.00 0.00 H new ATOM 755 N LEU A 47 -2.707 -0.244 13.347 1.00 0.00 N ATOM 756 CA LEU A 47 -3.851 0.393 13.992 1.00 0.00 C ATOM 757 C LEU A 47 -4.262 1.649 13.232 1.00 0.00 C ATOM 758 O LEU A 47 -5.430 2.037 13.244 1.00 0.00 O ATOM 759 CB LEU A 47 -3.519 0.735 15.445 1.00 0.00 C ATOM 760 CG LEU A 47 -4.693 1.268 16.273 1.00 0.00 C ATOM 761 CD1 LEU A 47 -5.805 0.233 16.352 1.00 0.00 C ATOM 762 CD2 LEU A 47 -4.225 1.655 17.666 1.00 0.00 C ATOM 0 H LEU A 47 -1.850 -0.222 13.899 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.687 -0.306 13.981 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.128 -0.158 15.932 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.722 1.478 15.454 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.087 2.157 15.781 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.630 0.630 16.944 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.158 0.001 15.347 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.425 -0.674 16.822 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.070 2.032 18.242 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.806 0.781 18.165 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.462 2.430 17.591 1.00 0.00 H new ATOM 774 N GLU A 48 -3.293 2.271 12.567 1.00 0.00 N ATOM 775 CA GLU A 48 -3.560 3.412 11.695 1.00 0.00 C ATOM 776 C GLU A 48 -4.672 3.083 10.705 1.00 0.00 C ATOM 777 O GLU A 48 -5.598 3.873 10.494 1.00 0.00 O ATOM 778 CB GLU A 48 -2.291 3.788 10.925 1.00 0.00 C ATOM 779 CG GLU A 48 -1.219 4.444 11.779 1.00 0.00 C ATOM 780 CD GLU A 48 -1.543 5.887 12.101 1.00 0.00 C ATOM 781 OE1 GLU A 48 -2.244 6.139 13.103 1.00 0.00 O ATOM 782 OE2 GLU A 48 -1.109 6.774 11.342 1.00 0.00 O ATOM 0 H GLU A 48 -2.310 2.003 12.616 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.875 4.251 12.315 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.877 2.890 10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.558 4.465 10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.104 3.884 12.707 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.263 4.396 11.258 1.00 0.00 H new ATOM 789 N LEU A 49 -4.588 1.895 10.127 1.00 0.00 N ATOM 790 CA LEU A 49 -5.533 1.467 9.109 1.00 0.00 C ATOM 791 C LEU A 49 -6.845 1.030 9.751 1.00 0.00 C ATOM 792 O LEU A 49 -7.889 1.016 9.105 1.00 0.00 O ATOM 793 CB LEU A 49 -4.932 0.326 8.282 1.00 0.00 C ATOM 794 CG LEU A 49 -3.537 0.602 7.710 1.00 0.00 C ATOM 795 CD1 LEU A 49 -3.093 -0.542 6.815 1.00 0.00 C ATOM 796 CD2 LEU A 49 -3.516 1.917 6.946 1.00 0.00 C ATOM 0 H LEU A 49 -3.869 1.206 10.348 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.740 2.307 8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.882 -0.567 8.906 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.608 0.101 7.457 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.837 0.682 8.542 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.101 -0.329 6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.062 -1.465 7.393 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.798 -0.654 5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.516 2.091 6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.230 1.871 6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.787 2.732 7.617 1.00 0.00 H new ATOM 808 N GLN A 50 -6.786 0.692 11.034 1.00 0.00 N ATOM 809 CA GLN A 50 -7.975 0.297 11.778 1.00 0.00 C ATOM 810 C GLN A 50 -8.801 1.515 12.175 1.00 0.00 C ATOM 811 O GLN A 50 -10.009 1.409 12.392 1.00 0.00 O ATOM 812 CB GLN A 50 -7.593 -0.517 13.018 1.00 0.00 C ATOM 813 CG GLN A 50 -7.144 -1.932 12.692 1.00 0.00 C ATOM 814 CD GLN A 50 -6.825 -2.744 13.930 1.00 0.00 C ATOM 815 OE1 GLN A 50 -7.709 -3.352 14.534 1.00 0.00 O ATOM 816 NE2 GLN A 50 -5.553 -2.795 14.288 1.00 0.00 N ATOM 0 H GLN A 50 -5.925 0.684 11.581 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.584 -0.330 11.127 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.793 -0.002 13.550 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.448 -0.561 13.693 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.926 -2.435 12.124 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.262 -1.891 12.052 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.853 -2.275 13.759 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.272 -3.354 15.093 1.00 0.00 H new ATOM 825 N LYS A 51 -8.152 2.668 12.280 1.00 0.00 N ATOM 826 CA LYS A 51 -8.863 3.908 12.559 1.00 0.00 C ATOM 827 C LYS A 51 -9.501 4.438 11.279 1.00 0.00 C ATOM 828 O LYS A 51 -10.584 5.022 11.300 1.00 0.00 O ATOM 829 CB LYS A 51 -7.915 4.951 13.150 1.00 0.00 C ATOM 830 CG LYS A 51 -7.299 4.532 14.475 1.00 0.00 C ATOM 831 CD LYS A 51 -6.310 5.571 14.973 1.00 0.00 C ATOM 832 CE LYS A 51 -5.618 5.127 16.254 1.00 0.00 C ATOM 833 NZ LYS A 51 -6.554 5.022 17.407 1.00 0.00 N ATOM 0 H LYS A 51 -7.142 2.770 12.177 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.646 3.706 13.290 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.117 5.151 12.435 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.458 5.885 13.291 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.086 4.390 15.216 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.795 3.573 14.358 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.562 5.759 14.203 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.830 6.513 15.149 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.142 4.160 16.089 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.826 5.835 16.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.022 4.766 18.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.028 5.936 17.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.267 4.290 17.210 1.00 0.00 H new ATOM 847 N LEU A 52 -8.816 4.224 10.164 1.00 0.00 N ATOM 848 CA LEU A 52 -9.346 4.590 8.858 1.00 0.00 C ATOM 849 C LEU A 52 -10.453 3.624 8.448 1.00 0.00 C ATOM 850 O LEU A 52 -10.361 2.421 8.692 1.00 0.00 O ATOM 851 CB LEU A 52 -8.230 4.591 7.814 1.00 0.00 C ATOM 852 CG LEU A 52 -7.082 5.557 8.101 1.00 0.00 C ATOM 853 CD1 LEU A 52 -5.950 5.337 7.116 1.00 0.00 C ATOM 854 CD2 LEU A 52 -7.567 6.998 8.045 1.00 0.00 C ATOM 0 H LEU A 52 -7.890 3.798 10.138 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.765 5.594 8.921 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.825 3.582 7.735 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.660 4.839 6.844 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.709 5.362 9.107 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.139 6.032 7.333 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.584 4.314 7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.312 5.506 6.102 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.735 7.670 8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.966 7.209 7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.349 7.148 8.790 1.00 0.00 H new ATOM 866 N ASP A 53 -11.503 4.152 7.838 1.00 0.00 N ATOM 867 CA ASP A 53 -12.645 3.342 7.456 1.00 0.00 C ATOM 868 C ASP A 53 -12.593 2.987 5.975 1.00 0.00 C ATOM 869 O ASP A 53 -13.115 1.952 5.558 1.00 0.00 O ATOM 870 CB ASP A 53 -13.946 4.086 7.760 1.00 0.00 C ATOM 871 CG ASP A 53 -14.149 5.304 6.881 1.00 0.00 C ATOM 872 OD1 ASP A 53 -13.696 6.403 7.267 1.00 0.00 O ATOM 873 OD2 ASP A 53 -14.761 5.175 5.803 1.00 0.00 O ATOM 0 H ASP A 53 -11.586 5.140 7.597 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.611 2.419 8.036 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.787 3.405 7.628 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.946 4.395 8.805 1.00 0.00 H new ATOM 878 N SER A 54 -11.964 3.841 5.184 1.00 0.00 N ATOM 879 CA SER A 54 -11.922 3.654 3.744 1.00 0.00 C ATOM 880 C SER A 54 -10.663 2.901 3.326 1.00 0.00 C ATOM 881 O SER A 54 -9.554 3.234 3.752 1.00 0.00 O ATOM 882 CB SER A 54 -11.994 5.016 3.054 1.00 0.00 C ATOM 883 OG SER A 54 -13.108 5.761 3.525 1.00 0.00 O ATOM 0 H SER A 54 -11.475 4.672 5.516 1.00 0.00 H new ATOM 0 HA SER A 54 -12.779 3.052 3.440 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.075 5.572 3.239 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.072 4.879 1.975 1.00 0.00 H new ATOM 0 HG SER A 54 -13.567 5.254 4.227 1.00 0.00 H new ATOM 889 N LEU A 55 -10.845 1.878 2.497 1.00 0.00 N ATOM 890 CA LEU A 55 -9.731 1.088 1.978 1.00 0.00 C ATOM 891 C LEU A 55 -8.739 1.961 1.192 1.00 0.00 C ATOM 892 O LEU A 55 -7.529 1.837 1.386 1.00 0.00 O ATOM 893 CB LEU A 55 -10.245 -0.061 1.098 1.00 0.00 C ATOM 894 CG LEU A 55 -9.166 -1.012 0.574 1.00 0.00 C ATOM 895 CD1 LEU A 55 -8.469 -1.727 1.723 1.00 0.00 C ATOM 896 CD2 LEU A 55 -9.770 -2.015 -0.394 1.00 0.00 C ATOM 0 H LEU A 55 -11.761 1.574 2.167 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.201 0.666 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.970 -0.640 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.777 0.364 0.247 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.419 -0.423 0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.707 -2.397 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.001 -0.992 2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.200 -2.304 2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.990 -2.684 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.538 -2.596 0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.216 -1.485 -1.236 1.00 0.00 H new ATOM 908 N PRO A 56 -9.217 2.857 0.292 1.00 0.00 N ATOM 909 CA PRO A 56 -8.331 3.776 -0.429 1.00 0.00 C ATOM 910 C PRO A 56 -7.535 4.660 0.526 1.00 0.00 C ATOM 911 O PRO A 56 -6.351 4.905 0.314 1.00 0.00 O ATOM 912 CB PRO A 56 -9.281 4.630 -1.274 1.00 0.00 C ATOM 913 CG PRO A 56 -10.533 3.835 -1.376 1.00 0.00 C ATOM 914 CD PRO A 56 -10.628 3.041 -0.110 1.00 0.00 C ATOM 0 HA PRO A 56 -7.592 3.240 -1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.465 5.596 -0.804 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.860 4.830 -2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.399 4.486 -1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.508 3.179 -2.246 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.197 3.571 0.654 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.126 2.085 -0.273 1.00 0.00 H new ATOM 922 N ALA A 57 -8.199 5.120 1.585 1.00 0.00 N ATOM 923 CA ALA A 57 -7.563 5.968 2.590 1.00 0.00 C ATOM 924 C ALA A 57 -6.457 5.213 3.316 1.00 0.00 C ATOM 925 O ALA A 57 -5.404 5.774 3.613 1.00 0.00 O ATOM 926 CB ALA A 57 -8.592 6.485 3.586 1.00 0.00 C ATOM 0 H ALA A 57 -9.182 4.918 1.769 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.117 6.821 2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.098 7.114 4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.347 7.069 3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.069 5.642 4.087 1.00 0.00 H new ATOM 932 N GLN A 58 -6.700 3.936 3.591 1.00 0.00 N ATOM 933 CA GLN A 58 -5.701 3.089 4.233 1.00 0.00 C ATOM 934 C GLN A 58 -4.448 2.985 3.365 1.00 0.00 C ATOM 935 O GLN A 58 -3.334 3.217 3.837 1.00 0.00 O ATOM 936 CB GLN A 58 -6.275 1.697 4.513 1.00 0.00 C ATOM 937 CG GLN A 58 -7.342 1.682 5.600 1.00 0.00 C ATOM 938 CD GLN A 58 -8.010 0.327 5.754 1.00 0.00 C ATOM 939 OE1 GLN A 58 -7.541 -0.528 6.501 1.00 0.00 O ATOM 940 NE2 GLN A 58 -9.123 0.128 5.068 1.00 0.00 N ATOM 0 H GLN A 58 -7.580 3.465 3.380 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.425 3.545 5.184 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.701 1.297 3.593 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.463 1.031 4.804 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.890 1.969 6.550 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.100 2.431 5.369 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.483 0.861 4.457 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.621 -0.758 5.150 1.00 0.00 H new ATOM 949 N ALA A 59 -4.644 2.670 2.088 1.00 0.00 N ATOM 950 CA ALA A 59 -3.536 2.558 1.144 1.00 0.00 C ATOM 951 C ALA A 59 -2.854 3.909 0.941 1.00 0.00 C ATOM 952 O ALA A 59 -1.624 3.999 0.865 1.00 0.00 O ATOM 953 CB ALA A 59 -4.032 2.007 -0.182 1.00 0.00 C ATOM 0 H ALA A 59 -5.562 2.487 1.682 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.800 1.868 1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.197 1.928 -0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.469 1.021 -0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.786 2.677 -0.595 1.00 0.00 H new ATOM 959 N GLN A 60 -3.660 4.964 0.865 1.00 0.00 N ATOM 960 CA GLN A 60 -3.138 6.311 0.695 1.00 0.00 C ATOM 961 C GLN A 60 -2.279 6.701 1.888 1.00 0.00 C ATOM 962 O GLN A 60 -1.221 7.300 1.724 1.00 0.00 O ATOM 963 CB GLN A 60 -4.278 7.321 0.514 1.00 0.00 C ATOM 964 CG GLN A 60 -3.806 8.758 0.338 1.00 0.00 C ATOM 965 CD GLN A 60 -2.930 8.947 -0.887 1.00 0.00 C ATOM 966 OE1 GLN A 60 -3.418 9.237 -1.978 1.00 0.00 O ATOM 967 NE2 GLN A 60 -1.627 8.788 -0.713 1.00 0.00 N ATOM 0 H GLN A 60 -4.677 4.909 0.919 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.521 6.324 -0.204 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.870 7.034 -0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.938 7.269 1.380 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.674 9.413 0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.252 9.064 1.225 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.261 8.547 0.208 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.989 8.906 -1.500 1.00 0.00 H new ATOM 976 N HIS A 61 -2.732 6.342 3.085 1.00 0.00 N ATOM 977 CA HIS A 61 -2.011 6.673 4.308 1.00 0.00 C ATOM 978 C HIS A 61 -0.685 5.921 4.375 1.00 0.00 C ATOM 979 O HIS A 61 0.258 6.373 5.025 1.00 0.00 O ATOM 980 CB HIS A 61 -2.866 6.364 5.541 1.00 0.00 C ATOM 981 CG HIS A 61 -2.284 6.873 6.828 1.00 0.00 C ATOM 982 ND1 HIS A 61 -2.300 8.202 7.188 1.00 0.00 N ATOM 983 CD2 HIS A 61 -1.673 6.222 7.846 1.00 0.00 C ATOM 984 CE1 HIS A 61 -1.726 8.345 8.366 1.00 0.00 C ATOM 985 NE2 HIS A 61 -1.337 7.160 8.790 1.00 0.00 N ATOM 0 H HIS A 61 -3.596 5.821 3.234 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.798 7.742 4.297 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.855 6.800 5.403 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.001 5.285 5.616 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.485 5.160 7.904 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.596 9.278 8.895 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -0.864 6.971 9.674 1.00 0.00 H new ATOM 994 N LEU A 62 -0.619 4.774 3.706 1.00 0.00 N ATOM 995 CA LEU A 62 0.636 4.039 3.576 1.00 0.00 C ATOM 996 C LEU A 62 1.658 4.901 2.843 1.00 0.00 C ATOM 997 O LEU A 62 2.675 5.289 3.415 1.00 0.00 O ATOM 998 CB LEU A 62 0.425 2.720 2.822 1.00 0.00 C ATOM 999 CG LEU A 62 -0.484 1.702 3.512 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -0.682 0.485 2.623 1.00 0.00 C ATOM 1001 CD2 LEU A 62 0.105 1.290 4.852 1.00 0.00 C ATOM 0 H LEU A 62 -1.416 4.334 3.247 1.00 0.00 H new ATOM 0 HA LEU A 62 1.005 3.803 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.008 2.946 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.398 2.258 2.656 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.455 2.165 3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.331 -0.232 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.140 0.792 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.283 0.021 2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.553 0.565 5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.086 0.842 4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.205 2.168 5.491 1.00 0.00 H new ATOM 1013 N ILE A 63 1.345 5.236 1.592 1.00 0.00 N ATOM 1014 CA ILE A 63 2.210 6.088 0.772 1.00 0.00 C ATOM 1015 C ILE A 63 2.458 7.423 1.470 1.00 0.00 C ATOM 1016 O ILE A 63 3.542 8.003 1.387 1.00 0.00 O ATOM 1017 CB ILE A 63 1.575 6.362 -0.611 1.00 0.00 C ATOM 1018 CG1 ILE A 63 1.160 5.053 -1.284 1.00 0.00 C ATOM 1019 CG2 ILE A 63 2.550 7.119 -1.503 1.00 0.00 C ATOM 1020 CD1 ILE A 63 0.387 5.250 -2.571 1.00 0.00 C ATOM 0 H ILE A 63 0.494 4.929 1.121 1.00 0.00 H new ATOM 0 HA ILE A 63 3.153 5.559 0.634 1.00 0.00 H new ATOM 0 HB ILE A 63 0.685 6.974 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.052 4.463 -1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.551 4.475 -0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.088 7.304 -2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.807 8.070 -1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.454 6.526 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.127 4.279 -2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.524 5.813 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.001 5.801 -3.284 1.00 0.00 H new ATOM 1032 N ASP A 64 1.430 7.885 2.166 1.00 0.00 N ATOM 1033 CA ASP A 64 1.456 9.153 2.880 1.00 0.00 C ATOM 1034 C ASP A 64 2.549 9.186 3.946 1.00 0.00 C ATOM 1035 O ASP A 64 3.211 10.211 4.126 1.00 0.00 O ATOM 1036 CB ASP A 64 0.085 9.391 3.515 1.00 0.00 C ATOM 1037 CG ASP A 64 0.029 10.602 4.419 1.00 0.00 C ATOM 1038 OD1 ASP A 64 0.165 11.734 3.917 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -0.185 10.424 5.636 1.00 0.00 O ATOM 0 H ASP A 64 0.545 7.385 2.252 1.00 0.00 H new ATOM 0 HA ASP A 64 1.683 9.947 2.168 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.656 9.506 2.724 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.197 8.508 4.089 1.00 0.00 H new ATOM 1044 N THR A 65 2.759 8.068 4.636 1.00 0.00 N ATOM 1045 CA THR A 65 3.686 8.052 5.760 1.00 0.00 C ATOM 1046 C THR A 65 4.704 6.912 5.685 1.00 0.00 C ATOM 1047 O THR A 65 5.902 7.150 5.507 1.00 0.00 O ATOM 1048 CB THR A 65 2.931 7.956 7.103 1.00 0.00 C ATOM 1049 OG1 THR A 65 1.949 6.911 7.046 1.00 0.00 O ATOM 1050 CG2 THR A 65 2.261 9.276 7.452 1.00 0.00 C ATOM 0 H THR A 65 2.307 7.175 4.440 1.00 0.00 H new ATOM 0 HA THR A 65 4.231 8.994 5.701 1.00 0.00 H new ATOM 0 HB THR A 65 3.658 7.725 7.881 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.322 7.091 6.314 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.737 9.178 8.403 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.017 10.057 7.533 1.00 0.00 H new ATOM 0 HG23 THR A 65 1.548 9.540 6.671 1.00 0.00 H new ATOM 1058 N SER A 66 4.228 5.682 5.795 1.00 0.00 N ATOM 1059 CA SER A 66 5.105 4.557 6.078 1.00 0.00 C ATOM 1060 C SER A 66 5.253 3.605 4.897 1.00 0.00 C ATOM 1061 O SER A 66 4.267 3.175 4.301 1.00 0.00 O ATOM 1062 CB SER A 66 4.571 3.790 7.287 1.00 0.00 C ATOM 1063 OG SER A 66 4.397 4.656 8.398 1.00 0.00 O ATOM 0 H SER A 66 3.243 5.438 5.693 1.00 0.00 H new ATOM 0 HA SER A 66 6.094 4.965 6.284 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.620 3.320 7.034 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.262 2.989 7.549 1.00 0.00 H new ATOM 0 HG SER A 66 4.053 4.145 9.160 1.00 0.00 H new ATOM 1069 N CYS A 67 6.494 3.253 4.592 1.00 0.00 N ATOM 1070 CA CYS A 67 6.769 2.244 3.587 1.00 0.00 C ATOM 1071 C CYS A 67 7.107 0.938 4.290 1.00 0.00 C ATOM 1072 O CYS A 67 8.210 0.761 4.807 1.00 0.00 O ATOM 1073 CB CYS A 67 7.927 2.693 2.691 1.00 0.00 C ATOM 1074 SG CYS A 67 8.434 1.478 1.448 1.00 0.00 S ATOM 0 H CYS A 67 7.325 3.653 5.028 1.00 0.00 H new ATOM 0 HA CYS A 67 5.893 2.099 2.954 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.640 3.614 2.184 1.00 0.00 H new ATOM 0 HB3 CYS A 67 8.785 2.929 3.320 1.00 0.00 H new ATOM 0 HG CYS A 67 8.660 2.081 0.319 1.00 0.00 H new ATOM 1080 N GLU A 68 6.135 0.038 4.318 1.00 0.00 N ATOM 1081 CA GLU A 68 6.248 -1.209 5.055 1.00 0.00 C ATOM 1082 C GLU A 68 5.052 -2.095 4.738 1.00 0.00 C ATOM 1083 O GLU A 68 3.911 -1.706 4.992 1.00 0.00 O ATOM 1084 CB GLU A 68 6.290 -0.927 6.562 1.00 0.00 C ATOM 1085 CG GLU A 68 6.376 -2.176 7.427 1.00 0.00 C ATOM 1086 CD GLU A 68 6.147 -1.879 8.895 1.00 0.00 C ATOM 1087 OE1 GLU A 68 7.043 -1.296 9.537 1.00 0.00 O ATOM 1088 OE2 GLU A 68 5.066 -2.218 9.415 1.00 0.00 O ATOM 0 H GLU A 68 5.247 0.153 3.830 1.00 0.00 H new ATOM 0 HA GLU A 68 7.168 -1.715 4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.147 -0.289 6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.398 -0.366 6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.638 -2.902 7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.356 -2.635 7.301 1.00 0.00 H new ATOM 1095 N LEU A 69 5.302 -3.264 4.168 1.00 0.00 N ATOM 1096 CA LEU A 69 4.235 -4.218 3.907 1.00 0.00 C ATOM 1097 C LEU A 69 4.806 -5.586 3.567 1.00 0.00 C ATOM 1098 O LEU A 69 5.414 -5.780 2.512 1.00 0.00 O ATOM 1099 CB LEU A 69 3.331 -3.727 2.768 1.00 0.00 C ATOM 1100 CG LEU A 69 2.039 -4.528 2.560 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.183 -4.497 3.816 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.262 -3.977 1.375 1.00 0.00 C ATOM 0 H LEU A 69 6.230 -3.574 3.879 1.00 0.00 H new ATOM 0 HA LEU A 69 3.636 -4.306 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.067 -2.687 2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.903 -3.745 1.840 1.00 0.00 H new ATOM 0 HG LEU A 69 2.305 -5.564 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.271 -5.070 3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.739 -4.933 4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.924 -3.465 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.348 -4.555 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.008 -2.933 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.873 -4.047 0.475 1.00 0.00 H new ATOM 1114 N ASP A 70 4.616 -6.531 4.470 1.00 0.00 N ATOM 1115 CA ASP A 70 4.991 -7.909 4.212 1.00 0.00 C ATOM 1116 C ASP A 70 3.789 -8.625 3.616 1.00 0.00 C ATOM 1117 O ASP A 70 2.851 -8.988 4.328 1.00 0.00 O ATOM 1118 CB ASP A 70 5.446 -8.605 5.497 1.00 0.00 C ATOM 1119 CG ASP A 70 6.136 -9.931 5.232 1.00 0.00 C ATOM 1120 OD1 ASP A 70 5.528 -10.814 4.589 1.00 0.00 O ATOM 1121 OD2 ASP A 70 7.293 -10.101 5.674 1.00 0.00 O ATOM 0 H ASP A 70 4.204 -6.369 5.389 1.00 0.00 H new ATOM 0 HA ASP A 70 5.829 -7.936 3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.126 -7.948 6.040 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.582 -8.772 6.141 1.00 0.00 H new ATOM 1126 N VAL A 71 3.810 -8.802 2.306 1.00 0.00 N ATOM 1127 CA VAL A 71 2.649 -9.304 1.585 1.00 0.00 C ATOM 1128 C VAL A 71 2.597 -10.827 1.584 1.00 0.00 C ATOM 1129 O VAL A 71 1.662 -11.421 1.048 1.00 0.00 O ATOM 1130 CB VAL A 71 2.632 -8.785 0.132 1.00 0.00 C ATOM 1131 CG1 VAL A 71 2.492 -7.273 0.111 1.00 0.00 C ATOM 1132 CG2 VAL A 71 3.888 -9.213 -0.609 1.00 0.00 C ATOM 0 H VAL A 71 4.619 -8.605 1.717 1.00 0.00 H new ATOM 0 HA VAL A 71 1.768 -8.931 2.108 1.00 0.00 H new ATOM 0 HB VAL A 71 1.772 -9.221 -0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.482 -6.923 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.561 -6.987 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.333 -6.822 0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.854 -8.836 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.765 -8.809 -0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.948 -10.301 -0.626 1.00 0.00 H new ATOM 1142 N GLY A 72 3.599 -11.450 2.192 1.00 0.00 N ATOM 1143 CA GLY A 72 3.619 -12.892 2.292 1.00 0.00 C ATOM 1144 C GLY A 72 3.893 -13.557 0.962 1.00 0.00 C ATOM 1145 O GLY A 72 4.416 -12.926 0.042 1.00 0.00 O ATOM 0 H GLY A 72 4.398 -10.979 2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.382 -13.193 3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.661 -13.240 2.679 1.00 0.00 H new ATOM 1149 N ALA A 73 3.559 -14.843 0.874 1.00 0.00 N ATOM 1150 CA ALA A 73 3.749 -15.630 -0.347 1.00 0.00 C ATOM 1151 C ALA A 73 5.223 -15.702 -0.751 1.00 0.00 C ATOM 1152 O ALA A 73 5.555 -16.130 -1.858 1.00 0.00 O ATOM 1153 CB ALA A 73 2.904 -15.069 -1.483 1.00 0.00 C ATOM 0 H ALA A 73 3.149 -15.370 1.645 1.00 0.00 H new ATOM 0 HA ALA A 73 3.419 -16.647 -0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.059 -15.667 -2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.851 -15.101 -1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.197 -14.037 -1.679 1.00 0.00 H new ATOM 1159 N GLY A 74 6.100 -15.284 0.150 1.00 0.00 N ATOM 1160 CA GLY A 74 7.519 -15.350 -0.108 1.00 0.00 C ATOM 1161 C GLY A 74 8.067 -14.096 -0.761 1.00 0.00 C ATOM 1162 O GLY A 74 9.260 -14.022 -1.061 1.00 0.00 O ATOM 0 H GLY A 74 5.849 -14.898 1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.045 -15.522 0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.725 -16.206 -0.750 1.00 0.00 H new ATOM 1166 N LYS A 75 7.215 -13.105 -0.980 1.00 0.00 N ATOM 1167 CA LYS A 75 7.654 -11.873 -1.622 1.00 0.00 C ATOM 1168 C LYS A 75 7.435 -10.670 -0.714 1.00 0.00 C ATOM 1169 O LYS A 75 6.629 -10.713 0.215 1.00 0.00 O ATOM 1170 CB LYS A 75 6.938 -11.657 -2.961 1.00 0.00 C ATOM 1171 CG LYS A 75 5.443 -11.419 -2.841 1.00 0.00 C ATOM 1172 CD LYS A 75 4.872 -10.843 -4.130 1.00 0.00 C ATOM 1173 CE LYS A 75 3.410 -10.452 -3.964 1.00 0.00 C ATOM 1174 NZ LYS A 75 2.878 -9.736 -5.155 1.00 0.00 N ATOM 0 H LYS A 75 6.227 -13.128 -0.726 1.00 0.00 H new ATOM 0 HA LYS A 75 8.722 -11.973 -1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.390 -10.804 -3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.105 -12.529 -3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.941 -12.357 -2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.246 -10.735 -2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.452 -9.970 -4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.965 -11.577 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.815 -11.347 -3.785 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.304 -9.818 -3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.838 -9.744 -5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.217 -8.753 -5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.206 -10.210 -6.020 1.00 0.00 H new ATOM 1188 N TYR A 76 8.167 -9.603 -0.987 1.00 0.00 N ATOM 1189 CA TYR A 76 8.037 -8.367 -0.232 1.00 0.00 C ATOM 1190 C TYR A 76 7.616 -7.234 -1.154 1.00 0.00 C ATOM 1191 O TYR A 76 7.597 -7.397 -2.376 1.00 0.00 O ATOM 1192 CB TYR A 76 9.358 -8.024 0.463 1.00 0.00 C ATOM 1193 CG TYR A 76 9.789 -9.070 1.460 1.00 0.00 C ATOM 1194 CD1 TYR A 76 10.590 -10.138 1.075 1.00 0.00 C ATOM 1195 CD2 TYR A 76 9.388 -8.995 2.786 1.00 0.00 C ATOM 1196 CE1 TYR A 76 10.973 -11.102 1.983 1.00 0.00 C ATOM 1197 CE2 TYR A 76 9.770 -9.954 3.698 1.00 0.00 C ATOM 1198 CZ TYR A 76 10.563 -11.004 3.293 1.00 0.00 C ATOM 1199 OH TYR A 76 10.941 -11.967 4.203 1.00 0.00 O ATOM 0 H TYR A 76 8.863 -9.568 -1.732 1.00 0.00 H new ATOM 0 HA TYR A 76 7.270 -8.502 0.531 1.00 0.00 H new ATOM 0 HB2 TYR A 76 10.138 -7.904 -0.289 1.00 0.00 H new ATOM 0 HB3 TYR A 76 9.256 -7.065 0.972 1.00 0.00 H new ATOM 0 HD1 TYR A 76 10.918 -10.214 0.049 1.00 0.00 H new ATOM 0 HD2 TYR A 76 8.767 -8.172 3.108 1.00 0.00 H new ATOM 0 HE1 TYR A 76 11.591 -11.930 1.668 1.00 0.00 H new ATOM 0 HE2 TYR A 76 9.449 -9.883 4.727 1.00 0.00 H new ATOM 0 HH TYR A 76 10.569 -11.749 5.083 1.00 0.00 H new ATOM 1209 N LEU A 77 7.277 -6.092 -0.568 1.00 0.00 N ATOM 1210 CA LEU A 77 6.826 -4.944 -1.336 1.00 0.00 C ATOM 1211 C LEU A 77 7.486 -3.665 -0.834 1.00 0.00 C ATOM 1212 O LEU A 77 7.333 -3.289 0.328 1.00 0.00 O ATOM 1213 CB LEU A 77 5.300 -4.822 -1.250 1.00 0.00 C ATOM 1214 CG LEU A 77 4.687 -3.664 -2.040 1.00 0.00 C ATOM 1215 CD1 LEU A 77 4.991 -3.801 -3.520 1.00 0.00 C ATOM 1216 CD2 LEU A 77 3.186 -3.605 -1.814 1.00 0.00 C ATOM 0 H LEU A 77 7.307 -5.939 0.440 1.00 0.00 H new ATOM 0 HA LEU A 77 7.113 -5.090 -2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.858 -5.754 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.020 -4.713 -0.202 1.00 0.00 H new ATOM 0 HG LEU A 77 5.132 -2.735 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.545 -2.967 -4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.070 -3.797 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.576 -4.738 -3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.765 -2.776 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.731 -4.539 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.983 -3.457 -0.753 1.00 0.00 H new ATOM 1228 N GLN A 78 8.226 -3.012 -1.716 1.00 0.00 N ATOM 1229 CA GLN A 78 8.888 -1.758 -1.390 1.00 0.00 C ATOM 1230 C GLN A 78 8.522 -0.696 -2.424 1.00 0.00 C ATOM 1231 O GLN A 78 8.464 -0.990 -3.617 1.00 0.00 O ATOM 1232 CB GLN A 78 10.407 -1.958 -1.365 1.00 0.00 C ATOM 1233 CG GLN A 78 11.181 -0.713 -0.963 1.00 0.00 C ATOM 1234 CD GLN A 78 12.671 -0.846 -1.209 1.00 0.00 C ATOM 1235 OE1 GLN A 78 13.231 -1.940 -1.157 1.00 0.00 O ATOM 1236 NE2 GLN A 78 13.327 0.274 -1.474 1.00 0.00 N ATOM 0 H GLN A 78 8.384 -3.333 -2.671 1.00 0.00 H new ATOM 0 HA GLN A 78 8.558 -1.428 -0.405 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.647 -2.764 -0.671 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.739 -2.278 -2.353 1.00 0.00 H new ATOM 0 HG2 GLN A 78 10.800 0.143 -1.520 1.00 0.00 H new ATOM 0 HG3 GLN A 78 11.008 -0.508 0.093 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.827 1.162 -1.508 1.00 0.00 H new ATOM 0 HE22 GLN A 78 14.332 0.248 -1.644 1.00 0.00 H new ATOM 1245 N TRP A 79 8.264 0.527 -1.976 1.00 0.00 N ATOM 1246 CA TRP A 79 7.956 1.614 -2.895 1.00 0.00 C ATOM 1247 C TRP A 79 8.612 2.912 -2.430 1.00 0.00 C ATOM 1248 O TRP A 79 8.463 3.322 -1.279 1.00 0.00 O ATOM 1249 CB TRP A 79 6.434 1.795 -3.049 1.00 0.00 C ATOM 1250 CG TRP A 79 5.721 2.231 -1.797 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.382 3.510 -1.454 1.00 0.00 C ATOM 1252 CD2 TRP A 79 5.250 1.393 -0.729 1.00 0.00 C ATOM 1253 NE1 TRP A 79 4.737 3.521 -0.241 1.00 0.00 N ATOM 1254 CE2 TRP A 79 4.641 2.235 0.223 1.00 0.00 C ATOM 1255 CE3 TRP A 79 5.282 0.013 -0.484 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 4.073 1.744 1.398 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 4.718 -0.471 0.682 1.00 0.00 C ATOM 1258 CH2 TRP A 79 4.118 0.392 1.610 1.00 0.00 C ATOM 0 H TRP A 79 8.262 0.789 -0.990 1.00 0.00 H new ATOM 0 HA TRP A 79 8.362 1.355 -3.873 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.247 2.530 -3.832 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.002 0.853 -3.387 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.591 4.386 -2.051 1.00 0.00 H new ATOM 0 HE1 TRP A 79 4.387 4.351 0.237 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.739 -0.660 -1.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 3.613 2.407 2.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.740 -1.532 0.881 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.683 -0.018 2.510 1.00 0.00 H new ATOM 1269 N TYR A 80 9.368 3.541 -3.317 1.00 0.00 N ATOM 1270 CA TYR A 80 9.965 4.830 -3.011 1.00 0.00 C ATOM 1271 C TYR A 80 9.921 5.742 -4.229 1.00 0.00 C ATOM 1272 O TYR A 80 9.939 5.278 -5.370 1.00 0.00 O ATOM 1273 CB TYR A 80 11.399 4.680 -2.478 1.00 0.00 C ATOM 1274 CG TYR A 80 12.387 4.031 -3.425 1.00 0.00 C ATOM 1275 CD1 TYR A 80 12.386 2.659 -3.638 1.00 0.00 C ATOM 1276 CD2 TYR A 80 13.344 4.795 -4.085 1.00 0.00 C ATOM 1277 CE1 TYR A 80 13.304 2.067 -4.483 1.00 0.00 C ATOM 1278 CE2 TYR A 80 14.263 4.210 -4.933 1.00 0.00 C ATOM 1279 CZ TYR A 80 14.240 2.846 -5.128 1.00 0.00 C ATOM 1280 OH TYR A 80 15.157 2.260 -5.969 1.00 0.00 O ATOM 0 H TYR A 80 9.581 3.182 -4.248 1.00 0.00 H new ATOM 0 HA TYR A 80 9.376 5.291 -2.218 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.774 5.669 -2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.366 4.095 -1.559 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.655 2.044 -3.134 1.00 0.00 H new ATOM 0 HD2 TYR A 80 13.368 5.864 -3.931 1.00 0.00 H new ATOM 0 HE1 TYR A 80 13.288 0.998 -4.638 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.996 4.818 -5.441 1.00 0.00 H new ATOM 0 HH TYR A 80 15.744 2.949 -6.344 1.00 0.00 H new ATOM 1290 N ALA A 81 9.850 7.039 -3.976 1.00 0.00 N ATOM 1291 CA ALA A 81 9.720 8.019 -5.039 1.00 0.00 C ATOM 1292 C ALA A 81 11.071 8.387 -5.622 1.00 0.00 C ATOM 1293 O ALA A 81 12.072 8.469 -4.908 1.00 0.00 O ATOM 1294 CB ALA A 81 9.028 9.271 -4.522 1.00 0.00 C ATOM 0 H ALA A 81 9.881 7.438 -3.038 1.00 0.00 H new ATOM 0 HA ALA A 81 9.117 7.571 -5.829 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.938 9.997 -5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.035 9.012 -4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.615 9.702 -3.711 1.00 0.00 H new ATOM 1300 N VAL A 82 11.089 8.592 -6.924 1.00 0.00 N ATOM 1301 CA VAL A 82 12.263 9.102 -7.603 1.00 0.00 C ATOM 1302 C VAL A 82 11.962 10.482 -8.173 1.00 0.00 C ATOM 1303 O VAL A 82 11.229 10.625 -9.154 1.00 0.00 O ATOM 1304 CB VAL A 82 12.758 8.147 -8.716 1.00 0.00 C ATOM 1305 CG1 VAL A 82 13.507 6.967 -8.111 1.00 0.00 C ATOM 1306 CG2 VAL A 82 11.599 7.646 -9.566 1.00 0.00 C ATOM 0 H VAL A 82 10.295 8.411 -7.538 1.00 0.00 H new ATOM 0 HA VAL A 82 13.068 9.176 -6.872 1.00 0.00 H new ATOM 0 HB VAL A 82 13.437 8.708 -9.358 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.848 6.306 -8.907 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.367 7.331 -7.549 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.843 6.418 -7.443 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.977 6.977 -10.339 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.891 7.108 -8.935 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.097 8.494 -10.033 1.00 0.00 H new ATOM 1316 N ARG A 83 12.501 11.502 -7.526 1.00 0.00 N ATOM 1317 CA ARG A 83 12.219 12.874 -7.908 1.00 0.00 C ATOM 1318 C ARG A 83 13.145 13.329 -9.028 1.00 0.00 C ATOM 1319 O ARG A 83 14.367 13.350 -8.870 1.00 0.00 O ATOM 1320 CB ARG A 83 12.369 13.803 -6.701 1.00 0.00 C ATOM 1321 CG ARG A 83 11.245 13.690 -5.675 1.00 0.00 C ATOM 1322 CD ARG A 83 10.011 14.490 -6.086 1.00 0.00 C ATOM 1323 NE ARG A 83 9.209 13.821 -7.111 1.00 0.00 N ATOM 1324 CZ ARG A 83 8.951 14.325 -8.316 1.00 0.00 C ATOM 1325 NH1 ARG A 83 9.442 15.511 -8.671 1.00 0.00 N ATOM 1326 NH2 ARG A 83 8.171 13.657 -9.154 1.00 0.00 N ATOM 0 H ARG A 83 13.136 11.405 -6.734 1.00 0.00 H new ATOM 0 HA ARG A 83 11.191 12.919 -8.269 1.00 0.00 H new ATOM 0 HB2 ARG A 83 13.317 13.588 -6.208 1.00 0.00 H new ATOM 0 HB3 ARG A 83 12.420 14.833 -7.055 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.972 12.642 -5.550 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.601 14.044 -4.707 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.391 14.668 -5.207 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.325 15.465 -6.458 1.00 0.00 H new ATOM 0 HE ARG A 83 8.821 12.905 -6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.020 16.040 -8.018 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.240 15.890 -9.596 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.771 12.761 -8.875 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.970 14.039 -10.078 1.00 0.00 H new ATOM 1340 N LEU A 84 12.553 13.688 -10.157 1.00 0.00 N ATOM 1341 CA LEU A 84 13.297 14.233 -11.282 1.00 0.00 C ATOM 1342 C LEU A 84 12.611 15.497 -11.781 1.00 0.00 C ATOM 1343 O LEU A 84 11.467 15.448 -12.236 1.00 0.00 O ATOM 1344 CB LEU A 84 13.407 13.223 -12.440 1.00 0.00 C ATOM 1345 CG LEU A 84 14.353 12.031 -12.222 1.00 0.00 C ATOM 1346 CD1 LEU A 84 13.722 10.976 -11.326 1.00 0.00 C ATOM 1347 CD2 LEU A 84 14.759 11.423 -13.558 1.00 0.00 C ATOM 0 H LEU A 84 11.549 13.610 -10.319 1.00 0.00 H new ATOM 0 HA LEU A 84 14.305 14.459 -10.935 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.411 12.834 -12.649 1.00 0.00 H new ATOM 0 HB3 LEU A 84 13.734 13.759 -13.331 1.00 0.00 H new ATOM 0 HG LEU A 84 15.246 12.402 -11.719 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.418 10.148 -11.193 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.490 11.414 -10.355 1.00 0.00 H new ATOM 0 HD13 LEU A 84 12.805 10.609 -11.787 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.429 10.580 -13.386 1.00 0.00 H new ATOM 0 HD22 LEU A 84 13.870 11.078 -14.086 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.269 12.175 -14.160 1.00 0.00 H new ATOM 1359 N GLU A 85 13.289 16.630 -11.678 1.00 0.00 N ATOM 1360 CA GLU A 85 12.740 17.880 -12.178 1.00 0.00 C ATOM 1361 C GLU A 85 13.156 18.084 -13.627 1.00 0.00 C ATOM 1362 O GLU A 85 14.128 17.487 -14.095 1.00 0.00 O ATOM 1363 CB GLU A 85 13.204 19.076 -11.333 1.00 0.00 C ATOM 1364 CG GLU A 85 14.690 19.395 -11.460 1.00 0.00 C ATOM 1365 CD GLU A 85 15.556 18.609 -10.499 1.00 0.00 C ATOM 1366 OE1 GLU A 85 15.693 17.378 -10.670 1.00 0.00 O ATOM 1367 OE2 GLU A 85 16.115 19.227 -9.571 1.00 0.00 O ATOM 0 H GLU A 85 14.214 16.709 -11.256 1.00 0.00 H new ATOM 0 HA GLU A 85 11.654 17.820 -12.111 1.00 0.00 H new ATOM 0 HB2 GLU A 85 12.629 19.956 -11.623 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.975 18.877 -10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 85 15.013 19.189 -12.481 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.842 20.460 -11.287 1.00 0.00 H new ATOM 1374 N LYS A 86 12.424 18.925 -14.339 1.00 0.00 N ATOM 1375 CA LYS A 86 12.766 19.244 -15.715 1.00 0.00 C ATOM 1376 C LYS A 86 13.819 20.350 -15.755 1.00 0.00 C ATOM 1377 O LYS A 86 13.554 21.471 -16.194 1.00 0.00 O ATOM 1378 CB LYS A 86 11.513 19.639 -16.509 1.00 0.00 C ATOM 1379 CG LYS A 86 10.649 20.688 -15.827 1.00 0.00 C ATOM 1380 CD LYS A 86 9.389 20.969 -16.627 1.00 0.00 C ATOM 1381 CE LYS A 86 8.476 21.950 -15.908 1.00 0.00 C ATOM 1382 NZ LYS A 86 8.016 21.425 -14.595 1.00 0.00 N ATOM 0 H LYS A 86 11.591 19.398 -13.988 1.00 0.00 H new ATOM 0 HA LYS A 86 13.188 18.356 -16.185 1.00 0.00 H new ATOM 0 HB2 LYS A 86 11.819 20.015 -17.485 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.912 18.747 -16.685 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.379 20.347 -14.828 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.219 21.609 -15.706 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.659 21.371 -17.603 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.854 20.036 -16.804 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.003 22.892 -15.757 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.611 22.166 -16.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.202 21.981 -14.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.736 20.429 -14.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.788 21.498 -13.902 1.00 0.00 H new ATOM 1396 N LEU A 87 15.014 20.027 -15.264 1.00 0.00 N ATOM 1397 CA LEU A 87 16.132 20.968 -15.271 1.00 0.00 C ATOM 1398 C LEU A 87 16.479 21.345 -16.706 1.00 0.00 C ATOM 1399 O LEU A 87 16.884 22.475 -16.988 1.00 0.00 O ATOM 1400 CB LEU A 87 17.367 20.380 -14.562 1.00 0.00 C ATOM 1401 CG LEU A 87 18.063 19.206 -15.270 1.00 0.00 C ATOM 1402 CD1 LEU A 87 19.456 18.998 -14.699 1.00 0.00 C ATOM 1403 CD2 LEU A 87 17.253 17.921 -15.135 1.00 0.00 C ATOM 0 H LEU A 87 15.233 19.118 -14.855 1.00 0.00 H new ATOM 0 HA LEU A 87 15.829 21.861 -14.724 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.096 21.179 -14.426 1.00 0.00 H new ATOM 0 HB3 LEU A 87 17.066 20.050 -13.568 1.00 0.00 H new ATOM 0 HG LEU A 87 18.140 19.453 -16.329 1.00 0.00 H new ATOM 0 HD11 LEU A 87 19.938 18.164 -15.209 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.047 19.902 -14.844 1.00 0.00 H new ATOM 0 HD13 LEU A 87 19.384 18.779 -13.634 1.00 0.00 H new ATOM 0 HD21 LEU A 87 17.771 17.109 -15.646 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.139 17.672 -14.080 1.00 0.00 H new ATOM 0 HD23 LEU A 87 16.269 18.062 -15.583 1.00 0.00 H new ATOM 1415 N GLU A 88 16.309 20.392 -17.610 1.00 0.00 N ATOM 1416 CA GLU A 88 16.479 20.653 -19.023 1.00 0.00 C ATOM 1417 C GLU A 88 15.138 20.540 -19.729 1.00 0.00 C ATOM 1418 O GLU A 88 14.633 19.442 -19.961 1.00 0.00 O ATOM 1419 CB GLU A 88 17.487 19.685 -19.644 1.00 0.00 C ATOM 1420 CG GLU A 88 17.782 19.989 -21.104 1.00 0.00 C ATOM 1421 CD GLU A 88 18.846 19.089 -21.691 1.00 0.00 C ATOM 1422 OE1 GLU A 88 20.042 19.314 -21.403 1.00 0.00 O ATOM 1423 OE2 GLU A 88 18.498 18.167 -22.453 1.00 0.00 O ATOM 0 H GLU A 88 16.053 19.431 -17.385 1.00 0.00 H new ATOM 0 HA GLU A 88 16.867 21.664 -19.144 1.00 0.00 H new ATOM 0 HB2 GLU A 88 18.416 19.723 -19.076 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.104 18.668 -19.561 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.865 19.884 -21.684 1.00 0.00 H new ATOM 0 HG3 GLU A 88 18.101 21.027 -21.196 1.00 0.00 H new ATOM 1430 N HIS A 89 14.549 21.685 -20.036 1.00 0.00 N ATOM 1431 CA HIS A 89 13.283 21.726 -20.755 1.00 0.00 C ATOM 1432 C HIS A 89 13.560 21.789 -22.251 1.00 0.00 C ATOM 1433 O HIS A 89 12.646 21.799 -23.074 1.00 0.00 O ATOM 1434 CB HIS A 89 12.451 22.933 -20.301 1.00 0.00 C ATOM 1435 CG HIS A 89 11.047 22.951 -20.834 1.00 0.00 C ATOM 1436 ND1 HIS A 89 10.548 23.975 -21.606 1.00 0.00 N ATOM 1437 CD2 HIS A 89 10.030 22.067 -20.685 1.00 0.00 C ATOM 1438 CE1 HIS A 89 9.288 23.723 -21.908 1.00 0.00 C ATOM 1439 NE2 HIS A 89 8.947 22.569 -21.362 1.00 0.00 N ATOM 0 H HIS A 89 14.928 22.602 -19.798 1.00 0.00 H new ATOM 0 HA HIS A 89 12.710 20.825 -20.538 1.00 0.00 H new ATOM 0 HB2 HIS A 89 12.414 22.945 -19.212 1.00 0.00 H new ATOM 0 HB3 HIS A 89 12.957 23.847 -20.613 1.00 0.00 H new ATOM 0 HD2 HIS A 89 10.066 21.138 -20.135 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.644 24.354 -22.502 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.031 22.125 -21.432 1.00 0.00 H new ATOM 1448 N HIS A 90 14.842 21.835 -22.579 1.00 0.00 N ATOM 1449 CA HIS A 90 15.304 21.816 -23.959 1.00 0.00 C ATOM 1450 C HIS A 90 15.039 20.440 -24.567 1.00 0.00 C ATOM 1451 O HIS A 90 15.840 19.520 -24.413 1.00 0.00 O ATOM 1452 CB HIS A 90 16.800 22.157 -23.988 1.00 0.00 C ATOM 1453 CG HIS A 90 17.447 22.118 -25.341 1.00 0.00 C ATOM 1454 ND1 HIS A 90 17.398 23.165 -26.232 1.00 0.00 N ATOM 1455 CD2 HIS A 90 18.203 21.162 -25.931 1.00 0.00 C ATOM 1456 CE1 HIS A 90 18.095 22.859 -27.309 1.00 0.00 C ATOM 1457 NE2 HIS A 90 18.593 21.650 -27.151 1.00 0.00 N ATOM 0 H HIS A 90 15.595 21.887 -21.893 1.00 0.00 H new ATOM 0 HA HIS A 90 14.765 22.557 -24.550 1.00 0.00 H new ATOM 0 HB2 HIS A 90 16.935 23.154 -23.569 1.00 0.00 H new ATOM 0 HB3 HIS A 90 17.326 21.462 -23.333 1.00 0.00 H new ATOM 0 HD2 HIS A 90 18.452 20.196 -25.518 1.00 0.00 H new ATOM 0 HE1 HIS A 90 18.234 23.492 -28.173 1.00 0.00 H new ATOM 0 HE2 HIS A 90 19.175 21.156 -27.828 1.00 0.00 H new ATOM 1466 N HIS A 91 13.902 20.306 -25.234 1.00 0.00 N ATOM 1467 CA HIS A 91 13.452 19.019 -25.748 1.00 0.00 C ATOM 1468 C HIS A 91 13.028 19.136 -27.206 1.00 0.00 C ATOM 1469 O HIS A 91 12.021 19.769 -27.523 1.00 0.00 O ATOM 1470 CB HIS A 91 12.291 18.496 -24.887 1.00 0.00 C ATOM 1471 CG HIS A 91 11.607 17.269 -25.422 1.00 0.00 C ATOM 1472 ND1 HIS A 91 10.339 17.298 -25.963 1.00 0.00 N ATOM 1473 CD2 HIS A 91 12.005 15.976 -25.480 1.00 0.00 C ATOM 1474 CE1 HIS A 91 9.987 16.082 -26.327 1.00 0.00 C ATOM 1475 NE2 HIS A 91 10.979 15.258 -26.047 1.00 0.00 N ATOM 0 H HIS A 91 13.269 21.080 -25.434 1.00 0.00 H new ATOM 0 HA HIS A 91 14.280 18.311 -25.697 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.669 18.277 -23.888 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.551 19.289 -24.781 1.00 0.00 H new ATOM 0 HD2 HIS A 91 12.953 15.582 -25.143 1.00 0.00 H new ATOM 0 HE1 HIS A 91 9.045 15.806 -26.778 1.00 0.00 H new ATOM 0 HE2 HIS A 91 10.984 14.253 -26.222 1.00 0.00 H new ATOM 1484 N HIS A 92 13.808 18.533 -28.088 1.00 0.00 N ATOM 1485 CA HIS A 92 13.482 18.507 -29.505 1.00 0.00 C ATOM 1486 C HIS A 92 13.356 17.070 -29.991 1.00 0.00 C ATOM 1487 O HIS A 92 14.357 16.401 -30.255 1.00 0.00 O ATOM 1488 CB HIS A 92 14.542 19.250 -30.331 1.00 0.00 C ATOM 1489 CG HIS A 92 14.267 19.250 -31.807 1.00 0.00 C ATOM 1490 ND1 HIS A 92 15.151 18.751 -32.740 1.00 0.00 N ATOM 1491 CD2 HIS A 92 13.194 19.684 -32.509 1.00 0.00 C ATOM 1492 CE1 HIS A 92 14.632 18.877 -33.946 1.00 0.00 C ATOM 1493 NE2 HIS A 92 13.444 19.439 -33.838 1.00 0.00 N ATOM 0 H HIS A 92 14.675 18.053 -27.847 1.00 0.00 H new ATOM 0 HA HIS A 92 12.527 19.015 -29.640 1.00 0.00 H new ATOM 0 HB2 HIS A 92 14.605 20.281 -29.982 1.00 0.00 H new ATOM 0 HB3 HIS A 92 15.515 18.793 -30.152 1.00 0.00 H new ATOM 0 HD2 HIS A 92 12.304 20.139 -32.100 1.00 0.00 H new ATOM 0 HE1 HIS A 92 15.102 18.571 -34.869 1.00 0.00 H new ATOM 0 HE2 HIS A 92 12.816 19.656 -34.612 1.00 0.00 H new ATOM 1502 N HIS A 93 12.125 16.594 -30.074 1.00 0.00 N ATOM 1503 CA HIS A 93 11.856 15.274 -30.623 1.00 0.00 C ATOM 1504 C HIS A 93 10.582 15.321 -31.459 1.00 0.00 C ATOM 1505 O HIS A 93 10.077 14.297 -31.917 1.00 0.00 O ATOM 1506 CB HIS A 93 11.741 14.232 -29.503 1.00 0.00 C ATOM 1507 CG HIS A 93 11.784 12.815 -29.993 1.00 0.00 C ATOM 1508 ND1 HIS A 93 12.896 12.259 -30.586 1.00 0.00 N ATOM 1509 CD2 HIS A 93 10.841 11.846 -29.986 1.00 0.00 C ATOM 1510 CE1 HIS A 93 12.635 11.010 -30.923 1.00 0.00 C ATOM 1511 NE2 HIS A 93 11.394 10.734 -30.569 1.00 0.00 N ATOM 0 H HIS A 93 11.295 17.102 -29.768 1.00 0.00 H new ATOM 0 HA HIS A 93 12.687 14.977 -31.263 1.00 0.00 H new ATOM 0 HB2 HIS A 93 12.552 14.386 -28.791 1.00 0.00 H new ATOM 0 HB3 HIS A 93 10.808 14.393 -28.963 1.00 0.00 H new ATOM 0 HD2 HIS A 93 9.838 11.932 -29.594 1.00 0.00 H new ATOM 0 HE1 HIS A 93 13.320 10.330 -31.406 1.00 0.00 H new ATOM 0 HE2 HIS A 93 10.923 9.840 -30.706 1.00 0.00 H new ATOM 1520 N HIS A 94 10.072 16.526 -31.660 1.00 0.00 N ATOM 1521 CA HIS A 94 8.895 16.732 -32.480 1.00 0.00 C ATOM 1522 C HIS A 94 9.285 17.505 -33.733 1.00 0.00 C ATOM 1523 O HIS A 94 9.664 16.864 -34.734 1.00 0.00 O ATOM 1524 CB HIS A 94 7.824 17.495 -31.694 1.00 0.00 C ATOM 1525 CG HIS A 94 6.524 17.650 -32.425 1.00 0.00 C ATOM 1526 ND1 HIS A 94 6.053 18.865 -32.873 1.00 0.00 N ATOM 1527 CD2 HIS A 94 5.588 16.736 -32.774 1.00 0.00 C ATOM 1528 CE1 HIS A 94 4.885 18.693 -33.465 1.00 0.00 C ATOM 1529 NE2 HIS A 94 4.581 17.409 -33.418 1.00 0.00 N ATOM 1530 OXT HIS A 94 9.238 18.746 -33.705 1.00 0.00 O ATOM 0 H HIS A 94 10.461 17.381 -31.262 1.00 0.00 H new ATOM 0 HA HIS A 94 8.482 15.765 -32.767 1.00 0.00 H new ATOM 0 HB2 HIS A 94 7.640 16.976 -30.753 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.208 18.484 -31.443 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.627 15.674 -32.581 1.00 0.00 H new ATOM 0 HE1 HIS A 94 4.282 19.470 -33.911 1.00 0.00 H new ATOM 0 HE2 HIS A 94 3.735 16.986 -33.799 1.00 0.00 H new TER 1539 HIS A 94