USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 653 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.746 USER MOD Single : A 13 THR OG1 : rot 72:sc= -0.382 USER MOD Single : A 21 HIS : no HD1:sc= -2.19 X(o=-2.2,f=-2.4) USER MOD Single : A 38 SER OG : rot -161:sc= -3.16! USER MOD Single : A 45 HIS : no HD1:sc= -0.0398 X(o=-0.04,f=-0.44) USER MOD Single : A 46 MET CE :methyl 177:sc= -5.49! (180deg=-5.87!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 56 ASN : amide:sc= 0.147 X(o=0.15,f=0) USER MOD Single : A 62 MET CE :methyl 176:sc= -3.41 (180deg=-3.5) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 152:sc= -0.321 (180deg=-1.29!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 72 ASN : amide:sc= 0.00234 K(o=0.0023,f=-3.7!) USER MOD Single : A 75 THR OG1 : rot -34:sc= 1.1 USER MOD Single : A 77 THR OG1 : rot 134:sc= 0.315 USER MOD Single : A 81 MET CE :methyl -148:sc= -4.19 (180deg=-6.24!) USER MOD Single : A 94 HIS : no HE2:sc= -0.0146 K(o=-0.015,f=-2.5) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HE2:sc= 0.07 X(o=0.07,f=-0.31) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.08 X(o=-0.08,f=-0.0015) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.302 -11.303 -15.979 1.00 42.33 N ATOM 2 CA MET A 1 -9.305 -11.761 -17.364 1.00 12.14 C ATOM 3 C MET A 1 -9.311 -10.578 -18.327 1.00 42.51 C ATOM 4 O MET A 1 -10.370 -10.111 -18.745 1.00 61.21 O ATOM 5 CB MET A 1 -10.519 -12.653 -17.627 1.00 74.51 C ATOM 6 CG MET A 1 -10.323 -14.093 -17.181 1.00 73.32 C ATOM 7 SD MET A 1 -11.853 -14.861 -16.616 1.00 52.53 S ATOM 8 CE MET A 1 -11.216 -16.114 -15.508 1.00 20.52 C ATOM 0 H1 MET A 1 -9.298 -12.125 -15.342 1.00 42.33 H new ATOM 0 H2 MET A 1 -8.454 -10.726 -15.806 1.00 42.33 H new ATOM 0 H3 MET A 1 -10.152 -10.731 -15.801 1.00 42.33 H new ATOM 0 HA MET A 1 -8.396 -12.339 -17.531 1.00 12.14 H new ATOM 0 HB2 MET A 1 -11.384 -12.236 -17.112 1.00 74.51 H new ATOM 0 HB3 MET A 1 -10.746 -12.639 -18.693 1.00 74.51 H new ATOM 0 HG2 MET A 1 -9.914 -14.673 -18.009 1.00 73.32 H new ATOM 0 HG3 MET A 1 -9.588 -14.123 -16.377 1.00 73.32 H new ATOM 0 HE1 MET A 1 -12.046 -16.675 -15.078 1.00 20.52 H new ATOM 0 HE2 MET A 1 -10.567 -16.793 -16.061 1.00 20.52 H new ATOM 0 HE3 MET A 1 -10.647 -15.638 -14.709 1.00 20.52 H new ATOM 16 N ALA A 2 -8.121 -10.098 -18.675 1.00 53.12 N ATOM 17 CA ALA A 2 -7.991 -8.971 -19.590 1.00 62.23 C ATOM 18 C ALA A 2 -6.543 -8.789 -20.034 1.00 75.33 C ATOM 19 O ALA A 2 -5.693 -9.642 -19.777 1.00 52.15 O ATOM 20 CB ALA A 2 -8.509 -7.698 -18.937 1.00 42.20 C ATOM 0 H ALA A 2 -7.234 -10.472 -18.337 1.00 53.12 H new ATOM 0 HA ALA A 2 -8.591 -9.182 -20.475 1.00 62.23 H new ATOM 0 HB1 ALA A 2 -8.406 -6.865 -19.632 1.00 42.20 H new ATOM 0 HB2 ALA A 2 -9.560 -7.825 -18.676 1.00 42.20 H new ATOM 0 HB3 ALA A 2 -7.933 -7.492 -18.035 1.00 42.20 H new ATOM 26 N ARG A 3 -6.269 -7.673 -20.700 1.00 2.52 N ATOM 27 CA ARG A 3 -4.924 -7.380 -21.181 1.00 53.43 C ATOM 28 C ARG A 3 -4.625 -5.886 -21.085 1.00 70.25 C ATOM 29 O ARG A 3 -3.788 -5.362 -21.818 1.00 60.41 O ATOM 30 CB ARG A 3 -4.763 -7.852 -22.627 1.00 11.22 C ATOM 31 CG ARG A 3 -5.926 -7.468 -23.526 1.00 42.02 C ATOM 32 CD ARG A 3 -5.547 -7.558 -24.996 1.00 13.21 C ATOM 33 NE ARG A 3 -6.167 -8.705 -25.653 1.00 32.02 N ATOM 34 CZ ARG A 3 -7.430 -8.721 -26.065 1.00 42.31 C ATOM 35 NH1 ARG A 3 -8.202 -7.658 -25.890 1.00 4.43 N ATOM 36 NH2 ARG A 3 -7.922 -9.803 -26.655 1.00 1.42 N ATOM 0 H ARG A 3 -6.961 -6.956 -20.919 1.00 2.52 H new ATOM 0 HA ARG A 3 -4.215 -7.916 -20.550 1.00 53.43 H new ATOM 0 HB2 ARG A 3 -3.844 -7.433 -23.037 1.00 11.22 H new ATOM 0 HB3 ARG A 3 -4.650 -8.936 -22.636 1.00 11.22 H new ATOM 0 HG2 ARG A 3 -6.773 -8.124 -23.327 1.00 42.02 H new ATOM 0 HG3 ARG A 3 -6.247 -6.453 -23.293 1.00 42.02 H new ATOM 0 HD2 ARG A 3 -5.849 -6.642 -25.505 1.00 13.21 H new ATOM 0 HD3 ARG A 3 -4.463 -7.631 -25.087 1.00 13.21 H new ATOM 0 HE ARG A 3 -5.600 -9.539 -25.804 1.00 32.02 H new ATOM 0 HH11 ARG A 3 -7.827 -6.824 -25.438 1.00 4.43 H new ATOM 0 HH12 ARG A 3 -9.171 -7.674 -26.208 1.00 4.43 H new ATOM 0 HH21 ARG A 3 -7.331 -10.623 -26.792 1.00 1.42 H new ATOM 0 HH22 ARG A 3 -8.892 -9.815 -26.971 1.00 1.42 H new ATOM 47 N ALA A 4 -5.318 -5.207 -20.177 1.00 51.52 N ATOM 48 CA ALA A 4 -5.126 -3.775 -19.985 1.00 14.31 C ATOM 49 C ALA A 4 -4.018 -3.500 -18.974 1.00 2.14 C ATOM 50 O ALA A 4 -3.372 -2.452 -19.016 1.00 62.11 O ATOM 51 CB ALA A 4 -6.426 -3.124 -19.534 1.00 42.20 C ATOM 0 H ALA A 4 -6.017 -5.625 -19.563 1.00 51.52 H new ATOM 0 HA ALA A 4 -4.827 -3.343 -20.940 1.00 14.31 H new ATOM 0 HB1 ALA A 4 -6.268 -2.055 -19.394 1.00 42.20 H new ATOM 0 HB2 ALA A 4 -7.194 -3.282 -20.292 1.00 42.20 H new ATOM 0 HB3 ALA A 4 -6.748 -3.569 -18.593 1.00 42.20 H new ATOM 57 N ASP A 5 -3.802 -4.446 -18.067 1.00 44.24 N ATOM 58 CA ASP A 5 -2.771 -4.306 -17.046 1.00 62.13 C ATOM 59 C ASP A 5 -1.548 -5.151 -17.390 1.00 2.20 C ATOM 60 O ASP A 5 -0.689 -5.392 -16.541 1.00 42.33 O ATOM 61 CB ASP A 5 -3.320 -4.714 -15.678 1.00 3.14 C ATOM 62 CG ASP A 5 -3.779 -6.158 -15.645 1.00 63.51 C ATOM 63 OD1 ASP A 5 -2.913 -7.058 -15.672 1.00 12.34 O ATOM 64 OD2 ASP A 5 -5.005 -6.390 -15.594 1.00 70.41 O ATOM 0 H ASP A 5 -4.328 -5.319 -18.018 1.00 44.24 H new ATOM 0 HA ASP A 5 -2.469 -3.259 -17.010 1.00 62.13 H new ATOM 0 HB2 ASP A 5 -2.550 -4.563 -14.921 1.00 3.14 H new ATOM 0 HB3 ASP A 5 -4.155 -4.064 -15.417 1.00 3.14 H new ATOM 68 N ASP A 6 -1.476 -5.599 -18.638 1.00 2.42 N ATOM 69 CA ASP A 6 -0.359 -6.417 -19.095 1.00 14.32 C ATOM 70 C ASP A 6 0.944 -5.623 -19.062 1.00 71.23 C ATOM 71 O ASP A 6 1.296 -4.945 -20.027 1.00 40.33 O ATOM 72 CB ASP A 6 -0.620 -6.931 -20.511 1.00 43.32 C ATOM 73 CG ASP A 6 -0.012 -8.298 -20.752 1.00 60.41 C ATOM 74 OD1 ASP A 6 1.219 -8.437 -20.593 1.00 35.12 O ATOM 75 OD2 ASP A 6 -0.768 -9.231 -21.097 1.00 65.10 O ATOM 0 H ASP A 6 -2.179 -5.409 -19.352 1.00 2.42 H new ATOM 0 HA ASP A 6 -0.264 -7.268 -18.420 1.00 14.32 H new ATOM 0 HB2 ASP A 6 -1.695 -6.979 -20.684 1.00 43.32 H new ATOM 0 HB3 ASP A 6 -0.212 -6.223 -21.232 1.00 43.32 H new ATOM 79 N THR A 7 1.657 -5.712 -17.943 1.00 14.30 N ATOM 80 CA THR A 7 2.919 -5.001 -17.782 1.00 62.00 C ATOM 81 C THR A 7 2.741 -3.506 -18.016 1.00 31.15 C ATOM 82 O THR A 7 1.646 -3.043 -18.331 1.00 23.03 O ATOM 83 CB THR A 7 3.992 -5.536 -18.750 1.00 1.20 C ATOM 84 OG1 THR A 7 3.459 -6.616 -19.524 1.00 51.41 O ATOM 85 CG2 THR A 7 5.220 -6.011 -17.987 1.00 51.44 C ATOM 0 H THR A 7 1.381 -6.270 -17.135 1.00 14.30 H new ATOM 0 HA THR A 7 3.248 -5.169 -16.757 1.00 62.00 H new ATOM 0 HB THR A 7 4.287 -4.724 -19.415 1.00 1.20 H new ATOM 0 HG1 THR A 7 4.147 -6.949 -20.138 1.00 51.41 H new ATOM 0 HG21 THR A 7 5.964 -6.384 -18.691 1.00 51.44 H new ATOM 0 HG22 THR A 7 5.641 -5.180 -17.421 1.00 51.44 H new ATOM 0 HG23 THR A 7 4.936 -6.810 -17.302 1.00 51.44 H new ATOM 93 N ALA A 8 3.827 -2.754 -17.858 1.00 44.44 N ATOM 94 CA ALA A 8 3.790 -1.310 -18.055 1.00 30.32 C ATOM 95 C ALA A 8 2.634 -0.680 -17.286 1.00 72.01 C ATOM 96 O ALA A 8 2.026 -1.319 -16.425 1.00 5.43 O ATOM 97 CB ALA A 8 3.683 -0.982 -19.536 1.00 45.41 C ATOM 0 H ALA A 8 4.742 -3.121 -17.595 1.00 44.44 H new ATOM 0 HA ALA A 8 4.719 -0.892 -17.668 1.00 30.32 H new ATOM 0 HB1 ALA A 8 3.656 0.100 -19.668 1.00 45.41 H new ATOM 0 HB2 ALA A 8 4.546 -1.391 -20.062 1.00 45.41 H new ATOM 0 HB3 ALA A 8 2.770 -1.420 -19.941 1.00 45.41 H new ATOM 103 N LEU A 9 2.335 0.575 -17.600 1.00 30.13 N ATOM 104 CA LEU A 9 1.251 1.293 -16.938 1.00 43.03 C ATOM 105 C LEU A 9 -0.099 0.660 -17.263 1.00 30.05 C ATOM 106 O LEU A 9 -0.490 0.533 -18.423 1.00 0.11 O ATOM 107 CB LEU A 9 1.253 2.763 -17.361 1.00 73.32 C ATOM 108 CG LEU A 9 0.924 3.040 -18.828 1.00 21.10 C ATOM 109 CD1 LEU A 9 -0.508 3.532 -18.971 1.00 71.43 C ATOM 110 CD2 LEU A 9 1.899 4.053 -19.411 1.00 52.32 C ATOM 0 H LEU A 9 2.828 1.117 -18.309 1.00 30.13 H new ATOM 0 HA LEU A 9 1.411 1.231 -15.862 1.00 43.03 H new ATOM 0 HB2 LEU A 9 0.535 3.300 -16.741 1.00 73.32 H new ATOM 0 HB3 LEU A 9 2.236 3.181 -17.145 1.00 73.32 H new ATOM 0 HG LEU A 9 1.023 2.108 -19.385 1.00 21.10 H new ATOM 0 HD11 LEU A 9 -0.724 3.724 -20.022 1.00 71.43 H new ATOM 0 HD12 LEU A 9 -1.193 2.773 -18.593 1.00 71.43 H new ATOM 0 HD13 LEU A 9 -0.635 4.452 -18.401 1.00 71.43 H new ATOM 0 HD21 LEU A 9 1.650 4.238 -20.456 1.00 52.32 H new ATOM 0 HD22 LEU A 9 1.832 4.986 -18.851 1.00 52.32 H new ATOM 0 HD23 LEU A 9 2.914 3.661 -19.344 1.00 52.32 H new ATOM 121 N PRO A 10 -0.830 0.255 -16.214 1.00 72.42 N ATOM 122 CA PRO A 10 -2.148 -0.369 -16.362 1.00 31.53 C ATOM 123 C PRO A 10 -3.206 0.618 -16.842 1.00 1.42 C ATOM 124 O PRO A 10 -3.947 0.340 -17.784 1.00 63.11 O ATOM 125 CB PRO A 10 -2.472 -0.854 -14.946 1.00 40.33 C ATOM 126 CG PRO A 10 -1.684 0.039 -14.050 1.00 44.24 C ATOM 127 CD PRO A 10 -0.426 0.373 -14.802 1.00 40.41 C ATOM 0 HA PRO A 10 -2.141 -1.163 -17.108 1.00 31.53 H new ATOM 0 HB2 PRO A 10 -3.539 -0.782 -14.737 1.00 40.33 H new ATOM 0 HB3 PRO A 10 -2.191 -1.898 -14.811 1.00 40.33 H new ATOM 0 HG2 PRO A 10 -2.245 0.942 -13.807 1.00 44.24 H new ATOM 0 HG3 PRO A 10 -1.455 -0.458 -13.107 1.00 44.24 H new ATOM 0 HD2 PRO A 10 -0.073 1.377 -14.568 1.00 40.41 H new ATOM 0 HD3 PRO A 10 0.383 -0.315 -14.557 1.00 40.41 H new ATOM 132 N ALA A 11 -3.271 1.774 -16.188 1.00 33.51 N ATOM 133 CA ALA A 11 -4.236 2.804 -16.550 1.00 62.24 C ATOM 134 C ALA A 11 -4.102 4.024 -15.646 1.00 53.12 C ATOM 135 O ALA A 11 -3.086 4.203 -14.976 1.00 42.21 O ATOM 136 CB ALA A 11 -5.651 2.247 -16.484 1.00 0.21 C ATOM 0 H ALA A 11 -2.666 2.020 -15.404 1.00 33.51 H new ATOM 0 HA ALA A 11 -4.029 3.119 -17.573 1.00 62.24 H new ATOM 0 HB1 ALA A 11 -6.362 3.027 -16.757 1.00 0.21 H new ATOM 0 HB2 ALA A 11 -5.746 1.411 -17.177 1.00 0.21 H new ATOM 0 HB3 ALA A 11 -5.860 1.904 -15.471 1.00 0.21 H new ATOM 142 N ALA A 12 -5.136 4.859 -15.632 1.00 2.44 N ATOM 143 CA ALA A 12 -5.134 6.062 -14.808 1.00 10.33 C ATOM 144 C ALA A 12 -5.367 5.723 -13.340 1.00 12.11 C ATOM 145 O ALA A 12 -5.389 6.607 -12.483 1.00 73.01 O ATOM 146 CB ALA A 12 -6.190 7.041 -15.300 1.00 42.12 C ATOM 0 H ALA A 12 -5.985 4.725 -16.181 1.00 2.44 H new ATOM 0 HA ALA A 12 -4.153 6.529 -14.894 1.00 10.33 H new ATOM 0 HB1 ALA A 12 -6.177 7.934 -14.676 1.00 42.12 H new ATOM 0 HB2 ALA A 12 -5.977 7.317 -16.333 1.00 42.12 H new ATOM 0 HB3 ALA A 12 -7.173 6.574 -15.245 1.00 42.12 H new ATOM 152 N THR A 13 -5.543 4.437 -13.056 1.00 75.25 N ATOM 153 CA THR A 13 -5.778 3.981 -11.692 1.00 34.10 C ATOM 154 C THR A 13 -5.188 4.954 -10.678 1.00 34.13 C ATOM 155 O THR A 13 -5.919 5.646 -9.969 1.00 30.35 O ATOM 156 CB THR A 13 -5.175 2.582 -11.455 1.00 13.52 C ATOM 157 OG1 THR A 13 -4.364 2.203 -12.573 1.00 71.20 O ATOM 158 CG2 THR A 13 -6.271 1.550 -11.242 1.00 4.11 C ATOM 0 H THR A 13 -5.527 3.692 -13.753 1.00 75.25 H new ATOM 0 HA THR A 13 -6.858 3.931 -11.557 1.00 34.10 H new ATOM 0 HB THR A 13 -4.558 2.623 -10.557 1.00 13.52 H new ATOM 0 HG1 THR A 13 -3.538 2.731 -12.572 1.00 71.20 H new ATOM 0 HG21 THR A 13 -5.822 0.571 -11.077 1.00 4.11 H new ATOM 0 HG22 THR A 13 -6.867 1.827 -10.373 1.00 4.11 H new ATOM 0 HG23 THR A 13 -6.911 1.511 -12.124 1.00 4.11 H new ATOM 166 N GLY A 14 -3.860 5.003 -10.614 1.00 53.24 N ATOM 167 CA GLY A 14 -3.195 5.897 -9.683 1.00 75.30 C ATOM 168 C GLY A 14 -2.991 5.266 -8.320 1.00 31.31 C ATOM 169 O GLY A 14 -2.065 4.478 -8.125 1.00 43.23 O ATOM 0 H GLY A 14 -3.234 4.440 -11.190 1.00 53.24 H new ATOM 0 HA2 GLY A 14 -2.228 6.190 -10.093 1.00 75.30 H new ATOM 0 HA3 GLY A 14 -3.784 6.807 -9.574 1.00 75.30 H new ATOM 173 N ALA A 15 -3.856 5.614 -7.373 1.00 0.15 N ATOM 174 CA ALA A 15 -3.766 5.076 -6.021 1.00 62.20 C ATOM 175 C ALA A 15 -3.950 3.562 -6.019 1.00 2.05 C ATOM 176 O ALA A 15 -3.235 2.840 -5.322 1.00 1.21 O ATOM 177 CB ALA A 15 -4.798 5.737 -5.121 1.00 55.10 C ATOM 0 H ALA A 15 -4.627 6.266 -7.517 1.00 0.15 H new ATOM 0 HA ALA A 15 -2.770 5.294 -5.635 1.00 62.20 H new ATOM 0 HB1 ALA A 15 -4.720 5.326 -4.115 1.00 55.10 H new ATOM 0 HB2 ALA A 15 -4.618 6.812 -5.089 1.00 55.10 H new ATOM 0 HB3 ALA A 15 -5.797 5.548 -5.513 1.00 55.10 H new ATOM 183 N LEU A 16 -4.913 3.087 -6.801 1.00 20.12 N ATOM 184 CA LEU A 16 -5.191 1.658 -6.889 1.00 72.05 C ATOM 185 C LEU A 16 -3.978 0.898 -7.416 1.00 43.12 C ATOM 186 O LEU A 16 -3.591 -0.131 -6.862 1.00 42.41 O ATOM 187 CB LEU A 16 -6.398 1.408 -7.796 1.00 12.25 C ATOM 188 CG LEU A 16 -7.433 0.411 -7.277 1.00 15.40 C ATOM 189 CD1 LEU A 16 -6.835 -0.984 -7.190 1.00 42.21 C ATOM 190 CD2 LEU A 16 -7.964 0.852 -5.919 1.00 23.22 C ATOM 0 H LEU A 16 -5.514 3.670 -7.383 1.00 20.12 H new ATOM 0 HA LEU A 16 -5.416 1.295 -5.886 1.00 72.05 H new ATOM 0 HB2 LEU A 16 -6.898 2.361 -7.973 1.00 12.25 H new ATOM 0 HB3 LEU A 16 -6.035 1.055 -8.761 1.00 12.25 H new ATOM 0 HG LEU A 16 -8.266 0.383 -7.979 1.00 15.40 H new ATOM 0 HD11 LEU A 16 -7.587 -1.680 -6.818 1.00 42.21 H new ATOM 0 HD12 LEU A 16 -6.505 -1.301 -8.179 1.00 42.21 H new ATOM 0 HD13 LEU A 16 -5.983 -0.973 -6.510 1.00 42.21 H new ATOM 0 HD21 LEU A 16 -8.700 0.130 -5.564 1.00 23.22 H new ATOM 0 HD22 LEU A 16 -7.140 0.910 -5.207 1.00 23.22 H new ATOM 0 HD23 LEU A 16 -8.432 1.832 -6.012 1.00 23.22 H new ATOM 201 N GLU A 17 -3.384 1.414 -8.487 1.00 23.44 N ATOM 202 CA GLU A 17 -2.214 0.783 -9.087 1.00 24.24 C ATOM 203 C GLU A 17 -0.988 0.948 -8.193 1.00 3.42 C ATOM 204 O GLU A 17 -0.117 0.077 -8.146 1.00 53.34 O ATOM 205 CB GLU A 17 -1.936 1.382 -10.468 1.00 21.10 C ATOM 206 CG GLU A 17 -1.308 2.764 -10.416 1.00 42.32 C ATOM 207 CD GLU A 17 -0.779 3.215 -11.764 1.00 22.32 C ATOM 208 OE1 GLU A 17 -1.594 3.648 -12.606 1.00 63.12 O ATOM 209 OE2 GLU A 17 0.449 3.134 -11.977 1.00 0.35 O ATOM 0 H GLU A 17 -3.693 2.265 -8.956 1.00 23.44 H new ATOM 0 HA GLU A 17 -2.423 -0.281 -9.195 1.00 24.24 H new ATOM 0 HB2 GLU A 17 -1.276 0.712 -11.019 1.00 21.10 H new ATOM 0 HB3 GLU A 17 -2.871 1.438 -11.026 1.00 21.10 H new ATOM 0 HG2 GLU A 17 -2.047 3.482 -10.061 1.00 42.32 H new ATOM 0 HG3 GLU A 17 -0.493 2.762 -9.692 1.00 42.32 H new ATOM 214 N LEU A 18 -0.925 2.071 -7.487 1.00 72.23 N ATOM 215 CA LEU A 18 0.193 2.353 -6.594 1.00 22.21 C ATOM 216 C LEU A 18 0.333 1.263 -5.535 1.00 73.23 C ATOM 217 O LEU A 18 1.408 0.691 -5.356 1.00 73.22 O ATOM 218 CB LEU A 18 0.005 3.712 -5.920 1.00 51.50 C ATOM 219 CG LEU A 18 1.256 4.334 -5.298 1.00 70.42 C ATOM 220 CD1 LEU A 18 1.184 5.851 -5.356 1.00 12.31 C ATOM 221 CD2 LEU A 18 1.428 3.860 -3.862 1.00 72.12 C ATOM 0 H LEU A 18 -1.636 2.802 -7.516 1.00 72.23 H new ATOM 0 HA LEU A 18 1.105 2.374 -7.191 1.00 22.21 H new ATOM 0 HB2 LEU A 18 -0.394 4.408 -6.658 1.00 51.50 H new ATOM 0 HB3 LEU A 18 -0.750 3.607 -5.140 1.00 51.50 H new ATOM 0 HG LEU A 18 2.124 4.011 -5.873 1.00 70.42 H new ATOM 0 HD11 LEU A 18 2.083 6.275 -4.909 1.00 12.31 H new ATOM 0 HD12 LEU A 18 1.109 6.172 -6.395 1.00 12.31 H new ATOM 0 HD13 LEU A 18 0.308 6.195 -4.806 1.00 12.31 H new ATOM 0 HD21 LEU A 18 2.323 4.312 -3.434 1.00 72.12 H new ATOM 0 HD22 LEU A 18 0.557 4.153 -3.275 1.00 72.12 H new ATOM 0 HD23 LEU A 18 1.527 2.775 -3.847 1.00 72.12 H new ATOM 232 N VAL A 19 -0.763 0.979 -4.837 1.00 41.44 N ATOM 233 CA VAL A 19 -0.764 -0.044 -3.799 1.00 51.43 C ATOM 234 C VAL A 19 -0.529 -1.428 -4.392 1.00 31.22 C ATOM 235 O VAL A 19 0.363 -2.158 -3.957 1.00 12.24 O ATOM 236 CB VAL A 19 -2.092 -0.050 -3.019 1.00 51.25 C ATOM 237 CG1 VAL A 19 -2.395 -1.444 -2.490 1.00 44.20 C ATOM 238 CG2 VAL A 19 -2.049 0.962 -1.884 1.00 62.31 C ATOM 0 H VAL A 19 -1.661 1.443 -4.972 1.00 41.44 H new ATOM 0 HA VAL A 19 0.049 0.198 -3.115 1.00 51.43 H new ATOM 0 HB VAL A 19 -2.894 0.236 -3.700 1.00 51.25 H new ATOM 0 HG11 VAL A 19 -3.337 -1.428 -1.942 1.00 44.20 H new ATOM 0 HG12 VAL A 19 -2.472 -2.141 -3.324 1.00 44.20 H new ATOM 0 HG13 VAL A 19 -1.593 -1.763 -1.824 1.00 44.20 H new ATOM 0 HG21 VAL A 19 -2.996 0.944 -1.344 1.00 62.31 H new ATOM 0 HG22 VAL A 19 -1.237 0.709 -1.202 1.00 62.31 H new ATOM 0 HG23 VAL A 19 -1.883 1.959 -2.292 1.00 62.31 H new ATOM 248 N ARG A 20 -1.334 -1.785 -5.387 1.00 64.50 N ATOM 249 CA ARG A 20 -1.214 -3.083 -6.039 1.00 71.30 C ATOM 250 C ARG A 20 0.207 -3.305 -6.550 1.00 53.33 C ATOM 251 O ARG A 20 0.741 -4.412 -6.471 1.00 31.32 O ATOM 252 CB ARG A 20 -2.206 -3.190 -7.198 1.00 12.01 C ATOM 253 CG ARG A 20 -3.610 -3.580 -6.764 1.00 4.11 C ATOM 254 CD ARG A 20 -4.637 -3.247 -7.835 1.00 33.05 C ATOM 255 NE ARG A 20 -4.594 -4.190 -8.949 1.00 30.35 N ATOM 256 CZ ARG A 20 -5.146 -3.955 -10.134 1.00 12.14 C ATOM 257 NH1 ARG A 20 -5.781 -2.812 -10.357 1.00 11.11 N ATOM 258 NH2 ARG A 20 -5.064 -4.862 -11.098 1.00 73.53 N ATOM 0 H ARG A 20 -2.077 -1.193 -5.759 1.00 64.50 H new ATOM 0 HA ARG A 20 -1.442 -3.853 -5.303 1.00 71.30 H new ATOM 0 HB2 ARG A 20 -2.248 -2.233 -7.718 1.00 12.01 H new ATOM 0 HB3 ARG A 20 -1.838 -3.926 -7.913 1.00 12.01 H new ATOM 0 HG2 ARG A 20 -3.642 -4.648 -6.548 1.00 4.11 H new ATOM 0 HG3 ARG A 20 -3.864 -3.060 -5.840 1.00 4.11 H new ATOM 0 HD2 ARG A 20 -5.634 -3.252 -7.395 1.00 33.05 H new ATOM 0 HD3 ARG A 20 -4.458 -2.238 -8.207 1.00 33.05 H new ATOM 0 HE ARG A 20 -4.113 -5.079 -8.809 1.00 30.35 H new ATOM 0 HH11 ARG A 20 -5.846 -2.112 -9.618 1.00 11.11 H new ATOM 0 HH12 ARG A 20 -6.204 -2.633 -11.268 1.00 11.11 H new ATOM 0 HH21 ARG A 20 -4.576 -5.742 -10.930 1.00 73.53 H new ATOM 0 HH22 ARG A 20 -5.489 -4.680 -12.007 1.00 73.53 H new ATOM 269 N HIS A 21 0.814 -2.246 -7.076 1.00 14.20 N ATOM 270 CA HIS A 21 2.173 -2.324 -7.600 1.00 61.45 C ATOM 271 C HIS A 21 3.172 -2.597 -6.480 1.00 73.02 C ATOM 272 O HIS A 21 3.982 -3.521 -6.568 1.00 54.30 O ATOM 273 CB HIS A 21 2.539 -1.028 -8.322 1.00 32.12 C ATOM 274 CG HIS A 21 3.863 -1.085 -9.021 1.00 34.44 C ATOM 275 ND1 HIS A 21 4.378 -2.243 -9.563 1.00 3.15 N ATOM 276 CD2 HIS A 21 4.777 -0.118 -9.265 1.00 13.34 C ATOM 277 CE1 HIS A 21 5.553 -1.986 -10.110 1.00 35.15 C ATOM 278 NE2 HIS A 21 5.818 -0.703 -9.943 1.00 1.43 N ATOM 0 H HIS A 21 0.386 -1.323 -7.151 1.00 14.20 H new ATOM 0 HA HIS A 21 2.216 -3.150 -8.310 1.00 61.45 H new ATOM 0 HB2 HIS A 21 1.762 -0.796 -9.051 1.00 32.12 H new ATOM 0 HB3 HIS A 21 2.553 -0.211 -7.600 1.00 32.12 H new ATOM 0 HD2 HIS A 21 4.702 0.921 -8.980 1.00 13.34 H new ATOM 0 HE1 HIS A 21 6.188 -2.703 -10.609 1.00 35.15 H new ATOM 0 HE2 HIS A 21 6.659 -0.224 -10.265 1.00 1.43 H new ATOM 285 N LEU A 22 3.110 -1.788 -5.428 1.00 44.42 N ATOM 286 CA LEU A 22 4.010 -1.942 -4.291 1.00 52.51 C ATOM 287 C LEU A 22 3.829 -3.306 -3.633 1.00 50.43 C ATOM 288 O LEU A 22 4.800 -3.946 -3.228 1.00 44.14 O ATOM 289 CB LEU A 22 3.763 -0.833 -3.266 1.00 40.01 C ATOM 290 CG LEU A 22 4.159 0.580 -3.698 1.00 62.25 C ATOM 291 CD1 LEU A 22 3.923 1.569 -2.568 1.00 51.42 C ATOM 292 CD2 LEU A 22 5.613 0.613 -4.145 1.00 14.03 C ATOM 0 H LEU A 22 2.446 -1.019 -5.339 1.00 44.42 H new ATOM 0 HA LEU A 22 5.034 -1.869 -4.658 1.00 52.51 H new ATOM 0 HB2 LEU A 22 2.703 -0.830 -3.012 1.00 40.01 H new ATOM 0 HB3 LEU A 22 4.309 -1.079 -2.355 1.00 40.01 H new ATOM 0 HG LEU A 22 3.534 0.870 -4.543 1.00 62.25 H new ATOM 0 HD11 LEU A 22 4.210 2.569 -2.894 1.00 51.42 H new ATOM 0 HD12 LEU A 22 2.868 1.565 -2.296 1.00 51.42 H new ATOM 0 HD13 LEU A 22 4.522 1.283 -1.703 1.00 51.42 H new ATOM 0 HD21 LEU A 22 5.877 1.626 -4.449 1.00 14.03 H new ATOM 0 HD22 LEU A 22 6.254 0.302 -3.320 1.00 14.03 H new ATOM 0 HD23 LEU A 22 5.750 -0.066 -4.987 1.00 14.03 H new ATOM 303 N VAL A 23 2.579 -3.748 -3.531 1.00 42.41 N ATOM 304 CA VAL A 23 2.271 -5.038 -2.927 1.00 52.55 C ATOM 305 C VAL A 23 2.724 -6.186 -3.821 1.00 31.25 C ATOM 306 O VAL A 23 3.382 -7.119 -3.363 1.00 73.34 O ATOM 307 CB VAL A 23 0.762 -5.182 -2.651 1.00 14.43 C ATOM 308 CG1 VAL A 23 0.457 -6.543 -2.045 1.00 22.14 C ATOM 309 CG2 VAL A 23 0.278 -4.064 -1.739 1.00 3.53 C ATOM 0 H VAL A 23 1.763 -3.231 -3.859 1.00 42.41 H new ATOM 0 HA VAL A 23 2.812 -5.082 -1.982 1.00 52.55 H new ATOM 0 HB VAL A 23 0.229 -5.105 -3.598 1.00 14.43 H new ATOM 0 HG11 VAL A 23 -0.613 -6.626 -1.857 1.00 22.14 H new ATOM 0 HG12 VAL A 23 0.766 -7.327 -2.737 1.00 22.14 H new ATOM 0 HG13 VAL A 23 1.000 -6.653 -1.106 1.00 22.14 H new ATOM 0 HG21 VAL A 23 -0.790 -4.181 -1.555 1.00 3.53 H new ATOM 0 HG22 VAL A 23 0.817 -4.108 -0.792 1.00 3.53 H new ATOM 0 HG23 VAL A 23 0.460 -3.101 -2.216 1.00 3.53 H new ATOM 319 N ALA A 24 2.368 -6.110 -5.098 1.00 24.32 N ATOM 320 CA ALA A 24 2.741 -7.142 -6.058 1.00 42.03 C ATOM 321 C ALA A 24 4.256 -7.291 -6.144 1.00 32.31 C ATOM 322 O ALA A 24 4.782 -8.403 -6.102 1.00 3.33 O ATOM 323 CB ALA A 24 2.162 -6.823 -7.428 1.00 62.33 C ATOM 0 H ALA A 24 1.822 -5.344 -5.493 1.00 24.32 H new ATOM 0 HA ALA A 24 2.328 -8.090 -5.713 1.00 42.03 H new ATOM 0 HB1 ALA A 24 2.449 -7.602 -8.135 1.00 62.33 H new ATOM 0 HB2 ALA A 24 1.075 -6.775 -7.362 1.00 62.33 H new ATOM 0 HB3 ALA A 24 2.547 -5.863 -7.771 1.00 62.33 H new ATOM 329 N GLU A 25 4.950 -6.165 -6.263 1.00 10.25 N ATOM 330 CA GLU A 25 6.406 -6.171 -6.356 1.00 52.22 C ATOM 331 C GLU A 25 7.032 -6.690 -5.064 1.00 53.23 C ATOM 332 O GLU A 25 8.126 -7.252 -5.074 1.00 4.25 O ATOM 333 CB GLU A 25 6.926 -4.764 -6.658 1.00 63.31 C ATOM 334 CG GLU A 25 6.416 -4.195 -7.972 1.00 75.41 C ATOM 335 CD GLU A 25 7.494 -4.120 -9.033 1.00 25.22 C ATOM 336 OE1 GLU A 25 8.444 -3.328 -8.859 1.00 14.10 O ATOM 337 OE2 GLU A 25 7.390 -4.852 -10.040 1.00 22.22 O ATOM 0 H GLU A 25 4.529 -5.237 -6.297 1.00 10.25 H new ATOM 0 HA GLU A 25 6.689 -6.838 -7.170 1.00 52.22 H new ATOM 0 HB2 GLU A 25 6.636 -4.097 -5.846 1.00 63.31 H new ATOM 0 HB3 GLU A 25 8.016 -4.785 -6.680 1.00 63.31 H new ATOM 0 HG2 GLU A 25 5.595 -4.813 -8.337 1.00 75.41 H new ATOM 0 HG3 GLU A 25 6.012 -3.198 -7.799 1.00 75.41 H new ATOM 342 N ARG A 26 6.327 -6.496 -3.953 1.00 44.10 N ATOM 343 CA ARG A 26 6.813 -6.942 -2.653 1.00 24.33 C ATOM 344 C ARG A 26 6.591 -8.442 -2.476 1.00 13.11 C ATOM 345 O ARG A 26 7.301 -9.098 -1.714 1.00 51.20 O ATOM 346 CB ARG A 26 6.111 -6.175 -1.532 1.00 74.14 C ATOM 347 CG ARG A 26 6.757 -4.838 -1.211 1.00 31.34 C ATOM 348 CD ARG A 26 7.556 -4.901 0.081 1.00 31.43 C ATOM 349 NE ARG A 26 8.977 -5.134 -0.165 1.00 23.24 N ATOM 350 CZ ARG A 26 9.928 -4.896 0.732 1.00 71.43 C ATOM 351 NH1 ARG A 26 9.610 -4.422 1.929 1.00 51.51 N ATOM 352 NH2 ARG A 26 11.198 -5.133 0.433 1.00 63.34 N ATOM 0 H ARG A 26 5.418 -6.033 -3.928 1.00 44.10 H new ATOM 0 HA ARG A 26 7.883 -6.742 -2.604 1.00 24.33 H new ATOM 0 HB2 ARG A 26 5.071 -6.008 -1.813 1.00 74.14 H new ATOM 0 HB3 ARG A 26 6.103 -6.790 -0.632 1.00 74.14 H new ATOM 0 HG2 ARG A 26 7.412 -4.543 -2.031 1.00 31.34 H new ATOM 0 HG3 ARG A 26 5.987 -4.071 -1.127 1.00 31.34 H new ATOM 0 HD2 ARG A 26 7.431 -3.968 0.630 1.00 31.43 H new ATOM 0 HD3 ARG A 26 7.162 -5.697 0.712 1.00 31.43 H new ATOM 0 HE ARG A 26 9.255 -5.500 -1.076 1.00 23.24 H new ATOM 0 HH11 ARG A 26 8.634 -4.240 2.162 1.00 51.51 H new ATOM 0 HH12 ARG A 26 10.341 -4.240 2.616 1.00 51.51 H new ATOM 0 HH21 ARG A 26 11.446 -5.498 -0.486 1.00 63.34 H new ATOM 0 HH22 ARG A 26 11.927 -4.950 1.122 1.00 63.34 H new ATOM 363 N ALA A 27 5.602 -8.976 -3.184 1.00 74.53 N ATOM 364 CA ALA A 27 5.288 -10.397 -3.105 1.00 72.11 C ATOM 365 C ALA A 27 6.085 -11.193 -4.132 1.00 65.50 C ATOM 366 O ALA A 27 5.828 -12.378 -4.347 1.00 5.41 O ATOM 367 CB ALA A 27 3.796 -10.620 -3.304 1.00 52.33 C ATOM 0 H ALA A 27 5.004 -8.446 -3.819 1.00 74.53 H new ATOM 0 HA ALA A 27 5.568 -10.751 -2.113 1.00 72.11 H new ATOM 0 HB1 ALA A 27 3.576 -11.686 -3.242 1.00 52.33 H new ATOM 0 HB2 ALA A 27 3.242 -10.090 -2.529 1.00 52.33 H new ATOM 0 HB3 ALA A 27 3.499 -10.244 -4.283 1.00 52.33 H new ATOM 373 N GLU A 28 7.051 -10.535 -4.764 1.00 32.23 N ATOM 374 CA GLU A 28 7.885 -11.182 -5.770 1.00 63.32 C ATOM 375 C GLU A 28 7.049 -11.616 -6.971 1.00 61.14 C ATOM 376 O GLU A 28 7.230 -12.713 -7.503 1.00 50.25 O ATOM 377 CB GLU A 28 8.601 -12.394 -5.169 1.00 61.32 C ATOM 378 CG GLU A 28 9.967 -12.657 -5.778 1.00 22.33 C ATOM 379 CD GLU A 28 11.033 -11.718 -5.247 1.00 65.22 C ATOM 380 OE1 GLU A 28 11.090 -11.522 -4.015 1.00 71.51 O ATOM 381 OE2 GLU A 28 11.811 -11.179 -6.063 1.00 74.24 O ATOM 0 H GLU A 28 7.276 -9.554 -4.597 1.00 32.23 H new ATOM 0 HA GLU A 28 8.629 -10.460 -6.107 1.00 63.32 H new ATOM 0 HB2 GLU A 28 8.714 -12.243 -4.095 1.00 61.32 H new ATOM 0 HB3 GLU A 28 7.977 -13.277 -5.303 1.00 61.32 H new ATOM 0 HG2 GLU A 28 10.260 -13.687 -5.573 1.00 22.33 H new ATOM 0 HG3 GLU A 28 9.904 -12.554 -6.861 1.00 22.33 H new ATOM 386 N LEU A 29 6.135 -10.750 -7.392 1.00 54.20 N ATOM 387 CA LEU A 29 5.269 -11.042 -8.530 1.00 22.33 C ATOM 388 C LEU A 29 4.926 -9.768 -9.295 1.00 21.55 C ATOM 389 O LEU A 29 5.004 -8.658 -8.767 1.00 63.42 O ATOM 390 CB LEU A 29 3.986 -11.728 -8.057 1.00 32.44 C ATOM 391 CG LEU A 29 3.342 -11.151 -6.796 1.00 11.23 C ATOM 392 CD1 LEU A 29 2.189 -10.230 -7.160 1.00 55.51 C ATOM 393 CD2 LEU A 29 2.866 -12.270 -5.881 1.00 33.11 C ATOM 0 H LEU A 29 5.974 -9.839 -6.963 1.00 54.20 H new ATOM 0 HA LEU A 29 5.806 -11.713 -9.201 1.00 22.33 H new ATOM 0 HB2 LEU A 29 3.256 -11.686 -8.865 1.00 32.44 H new ATOM 0 HB3 LEU A 29 4.205 -12.781 -7.880 1.00 32.44 H new ATOM 0 HG LEU A 29 4.092 -10.567 -6.262 1.00 11.23 H new ATOM 0 HD11 LEU A 29 1.743 -9.829 -6.250 1.00 55.51 H new ATOM 0 HD12 LEU A 29 2.559 -9.410 -7.775 1.00 55.51 H new ATOM 0 HD13 LEU A 29 1.437 -10.790 -7.716 1.00 55.51 H new ATOM 0 HD21 LEU A 29 2.410 -11.841 -4.988 1.00 33.11 H new ATOM 0 HD22 LEU A 29 2.132 -12.881 -6.405 1.00 33.11 H new ATOM 0 HD23 LEU A 29 3.715 -12.890 -5.593 1.00 33.11 H new ATOM 404 N PRO A 30 4.537 -9.929 -10.567 1.00 42.24 N ATOM 405 CA PRO A 30 4.171 -8.803 -11.432 1.00 51.44 C ATOM 406 C PRO A 30 2.859 -8.149 -11.009 1.00 62.51 C ATOM 407 O PRO A 30 1.946 -8.822 -10.529 1.00 33.05 O ATOM 408 CB PRO A 30 4.026 -9.447 -12.812 1.00 64.31 C ATOM 409 CG PRO A 30 3.698 -10.874 -12.533 1.00 54.40 C ATOM 410 CD PRO A 30 4.421 -11.222 -11.261 1.00 25.40 C ATOM 0 HA PRO A 30 4.912 -8.004 -11.395 1.00 51.44 H new ATOM 0 HB2 PRO A 30 3.238 -8.966 -13.392 1.00 64.31 H new ATOM 0 HB3 PRO A 30 4.947 -9.358 -13.389 1.00 64.31 H new ATOM 0 HG2 PRO A 30 2.623 -11.013 -12.422 1.00 54.40 H new ATOM 0 HG3 PRO A 30 4.019 -11.516 -13.353 1.00 54.40 H new ATOM 0 HD2 PRO A 30 3.864 -11.947 -10.668 1.00 25.40 H new ATOM 0 HD3 PRO A 30 5.399 -11.659 -11.462 1.00 25.40 H new ATOM 415 N VAL A 31 2.772 -6.836 -11.191 1.00 52.10 N ATOM 416 CA VAL A 31 1.571 -6.092 -10.830 1.00 64.25 C ATOM 417 C VAL A 31 0.414 -6.429 -11.764 1.00 25.01 C ATOM 418 O VAL A 31 -0.734 -6.078 -11.497 1.00 62.20 O ATOM 419 CB VAL A 31 1.820 -4.573 -10.867 1.00 20.02 C ATOM 420 CG1 VAL A 31 2.207 -4.128 -12.269 1.00 31.24 C ATOM 421 CG2 VAL A 31 0.591 -3.820 -10.381 1.00 50.24 C ATOM 0 H VAL A 31 3.519 -6.265 -11.586 1.00 52.10 H new ATOM 0 HA VAL A 31 1.311 -6.386 -9.813 1.00 64.25 H new ATOM 0 HB VAL A 31 2.649 -4.343 -10.197 1.00 20.02 H new ATOM 0 HG11 VAL A 31 2.379 -3.052 -12.275 1.00 31.24 H new ATOM 0 HG12 VAL A 31 3.118 -4.642 -12.576 1.00 31.24 H new ATOM 0 HG13 VAL A 31 1.402 -4.371 -12.963 1.00 31.24 H new ATOM 0 HG21 VAL A 31 0.785 -2.748 -10.414 1.00 50.24 H new ATOM 0 HG22 VAL A 31 -0.258 -4.055 -11.023 1.00 50.24 H new ATOM 0 HG23 VAL A 31 0.364 -4.117 -9.357 1.00 50.24 H new ATOM 431 N GLU A 32 0.726 -7.113 -12.861 1.00 72.23 N ATOM 432 CA GLU A 32 -0.289 -7.498 -13.834 1.00 24.52 C ATOM 433 C GLU A 32 -1.034 -8.749 -13.378 1.00 5.13 C ATOM 434 O GLU A 32 -2.148 -9.019 -13.827 1.00 72.12 O ATOM 435 CB GLU A 32 0.352 -7.743 -15.202 1.00 4.13 C ATOM 436 CG GLU A 32 1.098 -9.063 -15.297 1.00 2.52 C ATOM 437 CD GLU A 32 0.436 -10.040 -16.249 1.00 72.31 C ATOM 438 OE1 GLU A 32 -0.742 -10.386 -16.017 1.00 43.43 O ATOM 439 OE2 GLU A 32 1.094 -10.460 -17.223 1.00 62.02 O ATOM 0 H GLU A 32 1.672 -7.411 -13.097 1.00 72.23 H new ATOM 0 HA GLU A 32 -1.005 -6.680 -13.917 1.00 24.52 H new ATOM 0 HB2 GLU A 32 -0.424 -7.718 -15.967 1.00 4.13 H new ATOM 0 HB3 GLU A 32 1.042 -6.929 -15.421 1.00 4.13 H new ATOM 0 HG2 GLU A 32 2.120 -8.876 -15.627 1.00 2.52 H new ATOM 0 HG3 GLU A 32 1.161 -9.513 -14.306 1.00 2.52 H new ATOM 444 N VAL A 33 -0.410 -9.511 -12.486 1.00 34.23 N ATOM 445 CA VAL A 33 -1.012 -10.733 -11.967 1.00 42.35 C ATOM 446 C VAL A 33 -1.574 -10.518 -10.567 1.00 71.21 C ATOM 447 O VAL A 33 -2.147 -11.430 -9.969 1.00 42.14 O ATOM 448 CB VAL A 33 0.006 -11.888 -11.930 1.00 74.04 C ATOM 449 CG1 VAL A 33 0.877 -11.791 -10.686 1.00 65.13 C ATOM 450 CG2 VAL A 33 -0.709 -13.230 -11.986 1.00 43.43 C ATOM 0 H VAL A 33 0.514 -9.303 -12.107 1.00 34.23 H new ATOM 0 HA VAL A 33 -1.825 -10.997 -12.643 1.00 42.35 H new ATOM 0 HB VAL A 33 0.652 -11.809 -12.805 1.00 74.04 H new ATOM 0 HG11 VAL A 33 1.590 -12.615 -10.676 1.00 65.13 H new ATOM 0 HG12 VAL A 33 1.417 -10.844 -10.693 1.00 65.13 H new ATOM 0 HG13 VAL A 33 0.249 -11.845 -9.797 1.00 65.13 H new ATOM 0 HG21 VAL A 33 0.025 -14.035 -11.959 1.00 43.43 H new ATOM 0 HG22 VAL A 33 -1.379 -13.321 -11.131 1.00 43.43 H new ATOM 0 HG23 VAL A 33 -1.286 -13.296 -12.908 1.00 43.43 H new ATOM 460 N LEU A 34 -1.407 -9.307 -10.048 1.00 55.02 N ATOM 461 CA LEU A 34 -1.898 -8.971 -8.715 1.00 43.31 C ATOM 462 C LEU A 34 -3.423 -8.938 -8.690 1.00 35.42 C ATOM 463 O LEU A 34 -4.047 -8.129 -9.375 1.00 41.24 O ATOM 464 CB LEU A 34 -1.339 -7.618 -8.271 1.00 51.44 C ATOM 465 CG LEU A 34 -1.278 -7.380 -6.762 1.00 63.24 C ATOM 466 CD1 LEU A 34 -2.654 -7.020 -6.222 1.00 11.02 C ATOM 467 CD2 LEU A 34 -0.729 -8.608 -6.051 1.00 54.14 C ATOM 0 H LEU A 34 -0.936 -8.541 -10.529 1.00 55.02 H new ATOM 0 HA LEU A 34 -1.558 -9.742 -8.023 1.00 43.31 H new ATOM 0 HB2 LEU A 34 -0.333 -7.512 -8.676 1.00 51.44 H new ATOM 0 HB3 LEU A 34 -1.947 -6.832 -8.718 1.00 51.44 H new ATOM 0 HG LEU A 34 -0.606 -6.543 -6.572 1.00 63.24 H new ATOM 0 HD11 LEU A 34 -2.591 -6.854 -5.147 1.00 11.02 H new ATOM 0 HD12 LEU A 34 -3.010 -6.112 -6.709 1.00 11.02 H new ATOM 0 HD13 LEU A 34 -3.349 -7.836 -6.423 1.00 11.02 H new ATOM 0 HD21 LEU A 34 -0.692 -8.421 -4.978 1.00 54.14 H new ATOM 0 HD22 LEU A 34 -1.376 -9.463 -6.249 1.00 54.14 H new ATOM 0 HD23 LEU A 34 0.275 -8.821 -6.417 1.00 54.14 H new ATOM 478 N ARG A 35 -4.015 -9.821 -7.892 1.00 43.42 N ATOM 479 CA ARG A 35 -5.467 -9.892 -7.776 1.00 65.40 C ATOM 480 C ARG A 35 -5.973 -8.936 -6.701 1.00 64.01 C ATOM 481 O ARG A 35 -5.248 -8.596 -5.766 1.00 0.01 O ATOM 482 CB ARG A 35 -5.903 -11.321 -7.450 1.00 72.43 C ATOM 483 CG ARG A 35 -5.269 -12.372 -8.346 1.00 43.24 C ATOM 484 CD ARG A 35 -6.135 -13.619 -8.442 1.00 73.24 C ATOM 485 NE ARG A 35 -5.376 -14.835 -8.160 1.00 44.45 N ATOM 486 CZ ARG A 35 -5.939 -16.018 -7.937 1.00 2.23 C ATOM 487 NH1 ARG A 35 -7.259 -16.142 -7.962 1.00 63.33 N ATOM 488 NH2 ARG A 35 -5.181 -17.078 -7.689 1.00 1.10 N ATOM 0 H ARG A 35 -3.512 -10.497 -7.317 1.00 43.42 H new ATOM 0 HA ARG A 35 -5.899 -9.597 -8.732 1.00 65.40 H new ATOM 0 HB2 ARG A 35 -5.651 -11.541 -6.413 1.00 72.43 H new ATOM 0 HB3 ARG A 35 -6.987 -11.389 -7.536 1.00 72.43 H new ATOM 0 HG2 ARG A 35 -5.115 -11.957 -9.342 1.00 43.24 H new ATOM 0 HG3 ARG A 35 -4.287 -12.639 -7.956 1.00 43.24 H new ATOM 0 HD2 ARG A 35 -6.965 -13.539 -7.740 1.00 73.24 H new ATOM 0 HD3 ARG A 35 -6.567 -13.685 -9.441 1.00 73.24 H new ATOM 0 HE ARG A 35 -4.358 -14.773 -8.133 1.00 44.45 H new ATOM 0 HH11 ARG A 35 -7.844 -15.329 -8.153 1.00 63.33 H new ATOM 0 HH12 ARG A 35 -7.689 -17.051 -7.791 1.00 63.33 H new ATOM 0 HH21 ARG A 35 -4.165 -16.985 -7.669 1.00 1.10 H new ATOM 0 HH22 ARG A 35 -5.614 -17.986 -7.518 1.00 1.10 H new ATOM 499 N ASP A 36 -7.222 -8.505 -6.841 1.00 41.24 N ATOM 500 CA ASP A 36 -7.826 -7.588 -5.882 1.00 54.54 C ATOM 501 C ASP A 36 -8.198 -8.316 -4.594 1.00 15.44 C ATOM 502 O ASP A 36 -8.462 -7.688 -3.568 1.00 21.13 O ATOM 503 CB ASP A 36 -9.067 -6.928 -6.486 1.00 62.24 C ATOM 504 CG ASP A 36 -8.765 -6.207 -7.785 1.00 22.30 C ATOM 505 OD1 ASP A 36 -7.627 -5.718 -7.941 1.00 14.51 O ATOM 506 OD2 ASP A 36 -9.667 -6.133 -8.645 1.00 2.41 O ATOM 0 H ASP A 36 -7.836 -8.776 -7.609 1.00 41.24 H new ATOM 0 HA ASP A 36 -7.094 -6.817 -5.644 1.00 54.54 H new ATOM 0 HB2 ASP A 36 -9.829 -7.687 -6.664 1.00 62.24 H new ATOM 0 HB3 ASP A 36 -9.484 -6.220 -5.769 1.00 62.24 H new ATOM 510 N ASP A 37 -8.218 -9.643 -4.655 1.00 53.20 N ATOM 511 CA ASP A 37 -8.558 -10.457 -3.494 1.00 11.11 C ATOM 512 C ASP A 37 -7.299 -10.979 -2.809 1.00 45.24 C ATOM 513 O ASP A 37 -7.354 -11.930 -2.029 1.00 3.23 O ATOM 514 CB ASP A 37 -9.452 -11.627 -3.909 1.00 35.55 C ATOM 515 CG ASP A 37 -10.552 -11.207 -4.862 1.00 12.42 C ATOM 516 OD1 ASP A 37 -11.248 -10.213 -4.564 1.00 60.41 O ATOM 517 OD2 ASP A 37 -10.718 -11.870 -5.907 1.00 34.11 O ATOM 0 H ASP A 37 -8.003 -10.178 -5.496 1.00 53.20 H new ATOM 0 HA ASP A 37 -9.100 -9.829 -2.787 1.00 11.11 H new ATOM 0 HB2 ASP A 37 -8.842 -12.397 -4.381 1.00 35.55 H new ATOM 0 HB3 ASP A 37 -9.897 -12.073 -3.020 1.00 35.55 H new ATOM 521 N SER A 38 -6.166 -10.351 -3.108 1.00 31.11 N ATOM 522 CA SER A 38 -4.892 -10.756 -2.525 1.00 43.01 C ATOM 523 C SER A 38 -4.686 -10.103 -1.161 1.00 71.35 C ATOM 524 O SER A 38 -4.631 -8.878 -1.049 1.00 63.23 O ATOM 525 CB SER A 38 -3.738 -10.384 -3.459 1.00 62.54 C ATOM 526 OG SER A 38 -2.853 -9.470 -2.837 1.00 24.52 O ATOM 0 H SER A 38 -6.104 -9.561 -3.750 1.00 31.11 H new ATOM 0 HA SER A 38 -4.910 -11.838 -2.392 1.00 43.01 H new ATOM 0 HB2 SER A 38 -3.194 -11.284 -3.746 1.00 62.54 H new ATOM 0 HB3 SER A 38 -4.134 -9.945 -4.375 1.00 62.54 H new ATOM 0 HG SER A 38 -2.314 -9.020 -3.521 1.00 24.52 H new ATOM 531 N ARG A 39 -4.575 -10.931 -0.127 1.00 4.25 N ATOM 532 CA ARG A 39 -4.377 -10.435 1.230 1.00 4.30 C ATOM 533 C ARG A 39 -2.894 -10.412 1.589 1.00 60.01 C ATOM 534 O ARG A 39 -2.132 -11.290 1.182 1.00 14.44 O ATOM 535 CB ARG A 39 -5.142 -11.304 2.230 1.00 22.13 C ATOM 536 CG ARG A 39 -6.545 -11.665 1.773 1.00 52.32 C ATOM 537 CD ARG A 39 -7.447 -11.995 2.953 1.00 51.13 C ATOM 538 NE ARG A 39 -8.707 -11.258 2.901 1.00 32.31 N ATOM 539 CZ ARG A 39 -9.576 -11.217 3.906 1.00 63.34 C ATOM 540 NH1 ARG A 39 -9.323 -11.869 5.032 1.00 20.41 N ATOM 541 NH2 ARG A 39 -10.702 -10.525 3.783 1.00 32.31 N ATOM 0 H ARG A 39 -4.619 -11.947 -0.203 1.00 4.25 H new ATOM 0 HA ARG A 39 -4.760 -9.416 1.277 1.00 4.30 H new ATOM 0 HB2 ARG A 39 -4.579 -12.221 2.407 1.00 22.13 H new ATOM 0 HB3 ARG A 39 -5.203 -10.779 3.183 1.00 22.13 H new ATOM 0 HG2 ARG A 39 -6.970 -10.835 1.209 1.00 52.32 H new ATOM 0 HG3 ARG A 39 -6.500 -12.519 1.097 1.00 52.32 H new ATOM 0 HD2 ARG A 39 -7.653 -13.065 2.964 1.00 51.13 H new ATOM 0 HD3 ARG A 39 -6.928 -11.761 3.883 1.00 51.13 H new ATOM 0 HE ARG A 39 -8.932 -10.747 2.047 1.00 32.31 H new ATOM 0 HH11 ARG A 39 -8.460 -12.404 5.129 1.00 20.41 H new ATOM 0 HH12 ARG A 39 -9.991 -11.836 5.802 1.00 20.41 H new ATOM 0 HH21 ARG A 39 -10.901 -10.024 2.917 1.00 32.31 H new ATOM 0 HH22 ARG A 39 -11.368 -10.494 4.555 1.00 32.31 H new ATOM 552 N PHE A 40 -2.492 -9.402 2.354 1.00 1.04 N ATOM 553 CA PHE A 40 -1.100 -9.264 2.767 1.00 23.12 C ATOM 554 C PHE A 40 -0.809 -10.122 3.995 1.00 65.23 C ATOM 555 O PHE A 40 -0.344 -9.623 5.020 1.00 54.41 O ATOM 556 CB PHE A 40 -0.779 -7.798 3.068 1.00 3.14 C ATOM 557 CG PHE A 40 -1.686 -6.829 2.366 1.00 24.51 C ATOM 558 CD1 PHE A 40 -1.425 -6.434 1.063 1.00 70.11 C ATOM 559 CD2 PHE A 40 -2.800 -6.314 3.007 1.00 75.12 C ATOM 560 CE1 PHE A 40 -2.258 -5.542 0.414 1.00 72.03 C ATOM 561 CE2 PHE A 40 -3.637 -5.423 2.363 1.00 13.20 C ATOM 562 CZ PHE A 40 -3.366 -5.035 1.066 1.00 42.12 C ATOM 0 H PHE A 40 -3.110 -8.668 2.700 1.00 1.04 H new ATOM 0 HA PHE A 40 -0.468 -9.607 1.948 1.00 23.12 H new ATOM 0 HB2 PHE A 40 -0.847 -7.633 4.143 1.00 3.14 H new ATOM 0 HB3 PHE A 40 0.252 -7.593 2.779 1.00 3.14 H new ATOM 0 HD1 PHE A 40 -0.561 -6.828 0.549 1.00 70.11 H new ATOM 0 HD2 PHE A 40 -3.017 -6.612 4.022 1.00 75.12 H new ATOM 0 HE1 PHE A 40 -2.043 -5.242 -0.601 1.00 72.03 H new ATOM 0 HE2 PHE A 40 -4.503 -5.030 2.874 1.00 13.20 H new ATOM 0 HZ PHE A 40 -4.018 -4.337 0.562 1.00 42.12 H new ATOM 571 N LEU A 41 -1.087 -11.416 3.883 1.00 72.40 N ATOM 572 CA LEU A 41 -0.856 -12.346 4.984 1.00 3.12 C ATOM 573 C LEU A 41 -1.265 -13.763 4.594 1.00 13.42 C ATOM 574 O LEU A 41 -0.569 -14.729 4.910 1.00 14.32 O ATOM 575 CB LEU A 41 -1.633 -11.902 6.224 1.00 53.01 C ATOM 576 CG LEU A 41 -0.850 -11.885 7.537 1.00 10.33 C ATOM 577 CD1 LEU A 41 0.166 -13.015 7.566 1.00 74.43 C ATOM 578 CD2 LEU A 41 -0.160 -10.541 7.729 1.00 52.23 C ATOM 0 H LEU A 41 -1.472 -11.845 3.042 1.00 72.40 H new ATOM 0 HA LEU A 41 0.210 -12.344 5.211 1.00 3.12 H new ATOM 0 HB2 LEU A 41 -2.023 -10.900 6.044 1.00 53.01 H new ATOM 0 HB3 LEU A 41 -2.492 -12.562 6.345 1.00 53.01 H new ATOM 0 HG LEU A 41 -1.551 -12.032 8.358 1.00 10.33 H new ATOM 0 HD11 LEU A 41 0.714 -12.987 8.508 1.00 74.43 H new ATOM 0 HD12 LEU A 41 -0.350 -13.971 7.474 1.00 74.43 H new ATOM 0 HD13 LEU A 41 0.864 -12.898 6.737 1.00 74.43 H new ATOM 0 HD21 LEU A 41 0.393 -10.547 8.669 1.00 52.23 H new ATOM 0 HD22 LEU A 41 0.530 -10.365 6.903 1.00 52.23 H new ATOM 0 HD23 LEU A 41 -0.908 -9.748 7.753 1.00 52.23 H new ATOM 589 N ASP A 42 -2.395 -13.879 3.906 1.00 12.13 N ATOM 590 CA ASP A 42 -2.894 -15.178 3.470 1.00 41.03 C ATOM 591 C ASP A 42 -2.137 -15.667 2.240 1.00 43.50 C ATOM 592 O ASP A 42 -1.455 -16.690 2.283 1.00 33.44 O ATOM 593 CB ASP A 42 -4.390 -15.096 3.164 1.00 51.51 C ATOM 594 CG ASP A 42 -5.037 -16.464 3.062 1.00 30.12 C ATOM 595 OD1 ASP A 42 -4.494 -17.325 2.337 1.00 53.50 O ATOM 596 OD2 ASP A 42 -6.084 -16.674 3.708 1.00 20.31 O ATOM 0 H ASP A 42 -2.983 -13.090 3.638 1.00 12.13 H new ATOM 0 HA ASP A 42 -2.734 -15.891 4.279 1.00 41.03 H new ATOM 0 HB2 ASP A 42 -4.886 -14.520 3.945 1.00 51.51 H new ATOM 0 HB3 ASP A 42 -4.537 -14.557 2.228 1.00 51.51 H new ATOM 600 N ASP A 43 -2.262 -14.928 1.142 1.00 41.01 N ATOM 601 CA ASP A 43 -1.589 -15.286 -0.102 1.00 11.03 C ATOM 602 C ASP A 43 -0.203 -14.653 -0.170 1.00 24.22 C ATOM 603 O ASP A 43 0.809 -15.354 -0.208 1.00 4.03 O ATOM 604 CB ASP A 43 -2.425 -14.844 -1.304 1.00 73.22 C ATOM 605 CG ASP A 43 -3.061 -16.015 -2.028 1.00 23.14 C ATOM 606 OD1 ASP A 43 -2.312 -16.858 -2.566 1.00 34.35 O ATOM 607 OD2 ASP A 43 -4.307 -16.088 -2.057 1.00 5.41 O ATOM 0 H ASP A 43 -2.823 -14.078 1.088 1.00 41.01 H new ATOM 0 HA ASP A 43 -1.476 -16.370 -0.127 1.00 11.03 H new ATOM 0 HB2 ASP A 43 -3.205 -14.161 -0.969 1.00 73.22 H new ATOM 0 HB3 ASP A 43 -1.793 -14.291 -1.999 1.00 73.22 H new ATOM 611 N LEU A 44 -0.164 -13.326 -0.187 1.00 4.30 N ATOM 612 CA LEU A 44 1.099 -12.598 -0.253 1.00 12.45 C ATOM 613 C LEU A 44 2.052 -13.063 0.843 1.00 23.43 C ATOM 614 O LEU A 44 3.272 -12.939 0.714 1.00 45.15 O ATOM 615 CB LEU A 44 0.851 -11.094 -0.124 1.00 74.12 C ATOM 616 CG LEU A 44 -0.263 -10.520 -1.001 1.00 31.33 C ATOM 617 CD1 LEU A 44 -0.572 -9.086 -0.599 1.00 41.11 C ATOM 618 CD2 LEU A 44 0.125 -10.593 -2.470 1.00 41.41 C ATOM 0 H LEU A 44 -0.992 -12.731 -0.156 1.00 4.30 H new ATOM 0 HA LEU A 44 1.558 -12.803 -1.220 1.00 12.45 H new ATOM 0 HB2 LEU A 44 0.617 -10.873 0.917 1.00 74.12 H new ATOM 0 HB3 LEU A 44 1.778 -10.572 -0.360 1.00 74.12 H new ATOM 0 HG LEU A 44 -1.162 -11.119 -0.853 1.00 31.33 H new ATOM 0 HD11 LEU A 44 -1.367 -8.694 -1.233 1.00 41.11 H new ATOM 0 HD12 LEU A 44 -0.893 -9.061 0.442 1.00 41.11 H new ATOM 0 HD13 LEU A 44 0.322 -8.474 -0.717 1.00 41.11 H new ATOM 0 HD21 LEU A 44 -0.679 -10.180 -3.080 1.00 41.41 H new ATOM 0 HD22 LEU A 44 1.037 -10.018 -2.635 1.00 41.41 H new ATOM 0 HD23 LEU A 44 0.296 -11.632 -2.750 1.00 41.41 H new ATOM 629 N HIS A 45 1.491 -13.601 1.921 1.00 21.24 N ATOM 630 CA HIS A 45 2.292 -14.088 3.038 1.00 32.13 C ATOM 631 C HIS A 45 3.098 -12.954 3.664 1.00 11.20 C ATOM 632 O HIS A 45 4.067 -13.191 4.384 1.00 71.31 O ATOM 633 CB HIS A 45 3.233 -15.200 2.572 1.00 63.02 C ATOM 634 CG HIS A 45 3.509 -16.230 3.623 1.00 61.25 C ATOM 635 ND1 HIS A 45 3.322 -16.001 4.970 1.00 60.40 N ATOM 636 CD2 HIS A 45 3.959 -17.503 3.518 1.00 15.21 C ATOM 637 CE1 HIS A 45 3.646 -17.087 5.648 1.00 33.24 C ATOM 638 NE2 HIS A 45 4.036 -18.013 4.791 1.00 30.12 N ATOM 0 H HIS A 45 0.484 -13.711 2.045 1.00 21.24 H new ATOM 0 HA HIS A 45 1.614 -14.488 3.792 1.00 32.13 H new ATOM 0 HB2 HIS A 45 2.800 -15.690 1.700 1.00 63.02 H new ATOM 0 HB3 HIS A 45 4.176 -14.757 2.253 1.00 63.02 H new ATOM 0 HD2 HIS A 45 4.210 -18.021 2.604 1.00 15.21 H new ATOM 0 HE1 HIS A 45 3.600 -17.199 6.721 1.00 33.24 H new ATOM 0 HE2 HIS A 45 4.344 -18.954 5.035 1.00 30.12 H new ATOM 645 N MET A 46 2.690 -11.720 3.384 1.00 72.12 N ATOM 646 CA MET A 46 3.374 -10.549 3.920 1.00 72.21 C ATOM 647 C MET A 46 3.064 -10.371 5.403 1.00 74.05 C ATOM 648 O MET A 46 2.005 -9.861 5.769 1.00 70.22 O ATOM 649 CB MET A 46 2.964 -9.295 3.147 1.00 10.41 C ATOM 650 CG MET A 46 2.930 -9.493 1.640 1.00 54.31 C ATOM 651 SD MET A 46 4.139 -8.471 0.778 1.00 0.33 S ATOM 652 CE MET A 46 3.082 -7.590 -0.369 1.00 73.40 C ATOM 0 H MET A 46 1.890 -11.506 2.789 1.00 72.12 H new ATOM 0 HA MET A 46 4.447 -10.702 3.807 1.00 72.21 H new ATOM 0 HB2 MET A 46 1.978 -8.976 3.485 1.00 10.41 H new ATOM 0 HB3 MET A 46 3.659 -8.489 3.384 1.00 10.41 H new ATOM 0 HG2 MET A 46 3.118 -10.542 1.411 1.00 54.31 H new ATOM 0 HG3 MET A 46 1.932 -9.259 1.269 1.00 54.31 H new ATOM 0 HE1 MET A 46 3.678 -6.877 -0.939 1.00 73.40 H new ATOM 0 HE2 MET A 46 2.615 -8.300 -1.052 1.00 73.40 H new ATOM 0 HE3 MET A 46 2.309 -7.057 0.185 1.00 73.40 H new ATOM 660 N SER A 47 3.995 -10.793 6.253 1.00 62.34 N ATOM 661 CA SER A 47 3.819 -10.684 7.696 1.00 14.10 C ATOM 662 C SER A 47 3.479 -9.251 8.095 1.00 3.33 C ATOM 663 O SER A 47 3.741 -8.309 7.347 1.00 12.44 O ATOM 664 CB SER A 47 5.085 -11.141 8.422 1.00 33.03 C ATOM 665 OG SER A 47 5.495 -12.423 7.977 1.00 54.45 O ATOM 0 H SER A 47 4.879 -11.214 5.967 1.00 62.34 H new ATOM 0 HA SER A 47 2.990 -11.330 7.986 1.00 14.10 H new ATOM 0 HB2 SER A 47 5.885 -10.421 8.252 1.00 33.03 H new ATOM 0 HB3 SER A 47 4.902 -11.167 9.496 1.00 33.03 H new ATOM 0 HG SER A 47 6.307 -12.691 8.455 1.00 54.45 H new ATOM 670 N SER A 48 2.895 -9.095 9.279 1.00 1.11 N ATOM 671 CA SER A 48 2.516 -7.778 9.777 1.00 61.13 C ATOM 672 C SER A 48 3.656 -6.780 9.595 1.00 53.54 C ATOM 673 O SER A 48 3.426 -5.609 9.288 1.00 1.12 O ATOM 674 CB SER A 48 2.126 -7.861 11.254 1.00 44.31 C ATOM 675 OG SER A 48 2.981 -8.744 11.959 1.00 45.32 O ATOM 0 H SER A 48 2.674 -9.864 9.911 1.00 1.11 H new ATOM 0 HA SER A 48 1.658 -7.432 9.201 1.00 61.13 H new ATOM 0 HB2 SER A 48 2.174 -6.869 11.702 1.00 44.31 H new ATOM 0 HB3 SER A 48 1.094 -8.201 11.342 1.00 44.31 H new ATOM 0 HG SER A 48 2.712 -8.778 12.901 1.00 45.32 H new ATOM 680 N ILE A 49 4.882 -7.251 9.785 1.00 35.43 N ATOM 681 CA ILE A 49 6.058 -6.400 9.642 1.00 64.53 C ATOM 682 C ILE A 49 6.352 -6.113 8.174 1.00 54.13 C ATOM 683 O ILE A 49 6.698 -4.990 7.806 1.00 35.22 O ATOM 684 CB ILE A 49 7.300 -7.045 10.286 1.00 2.33 C ATOM 685 CG1 ILE A 49 7.048 -7.318 11.771 1.00 10.55 C ATOM 686 CG2 ILE A 49 8.515 -6.148 10.105 1.00 11.51 C ATOM 687 CD1 ILE A 49 6.474 -8.690 12.043 1.00 33.45 C ATOM 0 H ILE A 49 5.089 -8.217 10.038 1.00 35.43 H new ATOM 0 HA ILE A 49 5.836 -5.465 10.156 1.00 64.53 H new ATOM 0 HB ILE A 49 7.497 -7.995 9.790 1.00 2.33 H new ATOM 0 HG12 ILE A 49 7.986 -7.211 12.316 1.00 10.55 H new ATOM 0 HG13 ILE A 49 6.365 -6.563 12.160 1.00 10.55 H new ATOM 0 HG21 ILE A 49 9.385 -6.617 10.565 1.00 11.51 H new ATOM 0 HG22 ILE A 49 8.703 -6.000 9.042 1.00 11.51 H new ATOM 0 HG23 ILE A 49 8.329 -5.184 10.579 1.00 11.51 H new ATOM 0 HD11 ILE A 49 6.321 -8.814 13.115 1.00 33.45 H new ATOM 0 HD12 ILE A 49 5.520 -8.794 11.526 1.00 33.45 H new ATOM 0 HD13 ILE A 49 7.166 -9.452 11.684 1.00 33.45 H new ATOM 698 N THR A 50 6.209 -7.135 7.336 1.00 20.10 N ATOM 699 CA THR A 50 6.458 -6.992 5.906 1.00 74.33 C ATOM 700 C THR A 50 5.463 -6.030 5.269 1.00 53.32 C ATOM 701 O THR A 50 5.830 -5.209 4.427 1.00 53.24 O ATOM 702 CB THR A 50 6.378 -8.350 5.184 1.00 41.52 C ATOM 703 OG1 THR A 50 7.377 -9.238 5.696 1.00 34.40 O ATOM 704 CG2 THR A 50 6.566 -8.176 3.684 1.00 32.34 C ATOM 0 H THR A 50 5.922 -8.071 7.623 1.00 20.10 H new ATOM 0 HA THR A 50 7.466 -6.591 5.798 1.00 74.33 H new ATOM 0 HB THR A 50 5.390 -8.775 5.364 1.00 41.52 H new ATOM 0 HG1 THR A 50 7.318 -10.099 5.232 1.00 34.40 H new ATOM 0 HG21 THR A 50 6.506 -9.148 3.195 1.00 32.34 H new ATOM 0 HG22 THR A 50 5.785 -7.524 3.293 1.00 32.34 H new ATOM 0 HG23 THR A 50 7.542 -7.731 3.489 1.00 32.34 H new ATOM 712 N VAL A 51 4.202 -6.134 5.675 1.00 61.21 N ATOM 713 CA VAL A 51 3.154 -5.271 5.144 1.00 73.34 C ATOM 714 C VAL A 51 3.477 -3.801 5.386 1.00 50.52 C ATOM 715 O VAL A 51 3.412 -2.982 4.470 1.00 35.15 O ATOM 716 CB VAL A 51 1.787 -5.596 5.775 1.00 54.42 C ATOM 717 CG1 VAL A 51 0.661 -4.989 4.951 1.00 70.04 C ATOM 718 CG2 VAL A 51 1.606 -7.100 5.913 1.00 21.14 C ATOM 0 H VAL A 51 3.881 -6.808 6.370 1.00 61.21 H new ATOM 0 HA VAL A 51 3.104 -5.457 4.071 1.00 73.34 H new ATOM 0 HB VAL A 51 1.754 -5.157 6.772 1.00 54.42 H new ATOM 0 HG11 VAL A 51 -0.297 -5.229 5.412 1.00 70.04 H new ATOM 0 HG12 VAL A 51 0.783 -3.907 4.910 1.00 70.04 H new ATOM 0 HG13 VAL A 51 0.690 -5.396 3.940 1.00 70.04 H new ATOM 0 HG21 VAL A 51 0.635 -7.310 6.361 1.00 21.14 H new ATOM 0 HG22 VAL A 51 1.660 -7.565 4.929 1.00 21.14 H new ATOM 0 HG23 VAL A 51 2.394 -7.504 6.549 1.00 21.14 H new ATOM 728 N GLY A 52 3.825 -3.474 6.627 1.00 3.04 N ATOM 729 CA GLY A 52 4.154 -2.102 6.968 1.00 44.40 C ATOM 730 C GLY A 52 5.306 -1.560 6.145 1.00 22.53 C ATOM 731 O GLY A 52 5.345 -0.372 5.827 1.00 52.13 O ATOM 0 H GLY A 52 3.885 -4.134 7.402 1.00 3.04 H new ATOM 0 HA2 GLY A 52 3.277 -1.473 6.817 1.00 44.40 H new ATOM 0 HA3 GLY A 52 4.409 -2.045 8.026 1.00 44.40 H new ATOM 735 N GLN A 53 6.248 -2.433 5.802 1.00 40.01 N ATOM 736 CA GLN A 53 7.408 -2.035 5.014 1.00 64.02 C ATOM 737 C GLN A 53 6.979 -1.449 3.672 1.00 23.54 C ATOM 738 O GLN A 53 7.480 -0.406 3.250 1.00 4.31 O ATOM 739 CB GLN A 53 8.334 -3.231 4.789 1.00 24.11 C ATOM 740 CG GLN A 53 8.756 -3.924 6.075 1.00 5.52 C ATOM 741 CD GLN A 53 10.214 -3.684 6.416 1.00 64.32 C ATOM 742 OE1 GLN A 53 10.710 -2.562 6.317 1.00 54.41 O ATOM 743 NE2 GLN A 53 10.910 -4.741 6.818 1.00 54.34 N ATOM 0 H GLN A 53 6.230 -3.420 6.058 1.00 40.01 H new ATOM 0 HA GLN A 53 7.947 -1.268 5.570 1.00 64.02 H new ATOM 0 HB2 GLN A 53 7.832 -3.953 4.145 1.00 24.11 H new ATOM 0 HB3 GLN A 53 9.225 -2.896 4.258 1.00 24.11 H new ATOM 0 HG2 GLN A 53 8.132 -3.570 6.896 1.00 5.52 H new ATOM 0 HG3 GLN A 53 8.581 -4.996 5.980 1.00 5.52 H new ATOM 0 HE21 GLN A 53 10.459 -5.653 6.886 1.00 54.34 H new ATOM 0 HE22 GLN A 53 11.896 -4.641 7.059 1.00 54.34 H new ATOM 750 N LEU A 54 6.051 -2.127 3.007 1.00 43.52 N ATOM 751 CA LEU A 54 5.555 -1.674 1.712 1.00 45.02 C ATOM 752 C LEU A 54 4.502 -0.584 1.883 1.00 61.20 C ATOM 753 O LEU A 54 4.393 0.324 1.058 1.00 70.32 O ATOM 754 CB LEU A 54 4.966 -2.849 0.929 1.00 73.34 C ATOM 755 CG LEU A 54 3.491 -3.159 1.191 1.00 54.21 C ATOM 756 CD1 LEU A 54 2.606 -2.404 0.212 1.00 5.32 C ATOM 757 CD2 LEU A 54 3.236 -4.655 1.101 1.00 45.05 C ATOM 0 H LEU A 54 5.627 -2.992 3.342 1.00 43.52 H new ATOM 0 HA LEU A 54 6.395 -1.259 1.155 1.00 45.02 H new ATOM 0 HB2 LEU A 54 5.091 -2.649 -0.135 1.00 73.34 H new ATOM 0 HB3 LEU A 54 5.550 -3.741 1.157 1.00 73.34 H new ATOM 0 HG LEU A 54 3.244 -2.830 2.200 1.00 54.21 H new ATOM 0 HD11 LEU A 54 1.560 -2.636 0.413 1.00 5.32 H new ATOM 0 HD12 LEU A 54 2.768 -1.332 0.327 1.00 5.32 H new ATOM 0 HD13 LEU A 54 2.854 -2.701 -0.807 1.00 5.32 H new ATOM 0 HD21 LEU A 54 2.182 -4.856 1.290 1.00 45.05 H new ATOM 0 HD22 LEU A 54 3.500 -5.010 0.105 1.00 45.05 H new ATOM 0 HD23 LEU A 54 3.843 -5.173 1.843 1.00 45.05 H new ATOM 768 N VAL A 55 3.730 -0.678 2.961 1.00 14.02 N ATOM 769 CA VAL A 55 2.687 0.302 3.243 1.00 23.35 C ATOM 770 C VAL A 55 3.274 1.701 3.391 1.00 22.14 C ATOM 771 O VAL A 55 2.659 2.689 2.993 1.00 71.35 O ATOM 772 CB VAL A 55 1.913 -0.056 4.525 1.00 21.42 C ATOM 773 CG1 VAL A 55 1.154 1.155 5.046 1.00 43.35 C ATOM 774 CG2 VAL A 55 0.966 -1.218 4.267 1.00 21.33 C ATOM 0 H VAL A 55 3.807 -1.423 3.654 1.00 14.02 H new ATOM 0 HA VAL A 55 2.000 0.287 2.397 1.00 23.35 H new ATOM 0 HB VAL A 55 2.629 -0.362 5.288 1.00 21.42 H new ATOM 0 HG11 VAL A 55 0.613 0.883 5.952 1.00 43.35 H new ATOM 0 HG12 VAL A 55 1.858 1.957 5.270 1.00 43.35 H new ATOM 0 HG13 VAL A 55 0.447 1.494 4.289 1.00 43.35 H new ATOM 0 HG21 VAL A 55 0.427 -1.458 5.183 1.00 21.33 H new ATOM 0 HG22 VAL A 55 0.254 -0.942 3.489 1.00 21.33 H new ATOM 0 HG23 VAL A 55 1.537 -2.088 3.944 1.00 21.33 H new ATOM 784 N ASN A 56 4.471 1.778 3.965 1.00 24.42 N ATOM 785 CA ASN A 56 5.142 3.056 4.166 1.00 41.51 C ATOM 786 C ASN A 56 5.525 3.686 2.830 1.00 62.40 C ATOM 787 O ASN A 56 5.514 4.907 2.682 1.00 14.05 O ATOM 788 CB ASN A 56 6.391 2.871 5.031 1.00 43.03 C ATOM 789 CG ASN A 56 6.155 3.263 6.478 1.00 44.32 C ATOM 790 OD1 ASN A 56 6.087 4.447 6.808 1.00 64.13 O ATOM 791 ND2 ASN A 56 6.030 2.267 7.347 1.00 20.43 N ATOM 0 H ASN A 56 4.996 0.969 4.299 1.00 24.42 H new ATOM 0 HA ASN A 56 4.449 3.724 4.678 1.00 41.51 H new ATOM 0 HB2 ASN A 56 6.709 1.829 4.987 1.00 43.03 H new ATOM 0 HB3 ASN A 56 7.205 3.471 4.623 1.00 43.03 H new ATOM 0 HD21 ASN A 56 5.870 2.468 8.334 1.00 20.43 H new ATOM 0 HD22 ASN A 56 6.093 1.300 7.027 1.00 20.43 H new ATOM 797 N GLU A 57 5.861 2.842 1.859 1.00 51.42 N ATOM 798 CA GLU A 57 6.248 3.316 0.535 1.00 54.12 C ATOM 799 C GLU A 57 5.048 3.905 -0.203 1.00 30.25 C ATOM 800 O GLU A 57 5.179 4.881 -0.941 1.00 13.45 O ATOM 801 CB GLU A 57 6.853 2.174 -0.283 1.00 42.01 C ATOM 802 CG GLU A 57 7.613 2.643 -1.513 1.00 14.33 C ATOM 803 CD GLU A 57 8.821 3.492 -1.163 1.00 42.14 C ATOM 804 OE1 GLU A 57 8.668 4.727 -1.057 1.00 63.13 O ATOM 805 OE2 GLU A 57 9.918 2.920 -0.996 1.00 61.10 O ATOM 0 H GLU A 57 5.873 1.828 1.964 1.00 51.42 H new ATOM 0 HA GLU A 57 6.996 4.099 0.661 1.00 54.12 H new ATOM 0 HB2 GLU A 57 7.527 1.600 0.353 1.00 42.01 H new ATOM 0 HB3 GLU A 57 6.056 1.499 -0.594 1.00 42.01 H new ATOM 0 HG2 GLU A 57 7.937 1.776 -2.088 1.00 14.33 H new ATOM 0 HG3 GLU A 57 6.943 3.217 -2.153 1.00 14.33 H new ATOM 810 N ALA A 58 3.881 3.304 0.003 1.00 53.43 N ATOM 811 CA ALA A 58 2.658 3.770 -0.640 1.00 4.23 C ATOM 812 C ALA A 58 2.214 5.113 -0.071 1.00 33.24 C ATOM 813 O ALA A 58 2.003 6.072 -0.810 1.00 4.32 O ATOM 814 CB ALA A 58 1.553 2.736 -0.483 1.00 54.51 C ATOM 0 H ALA A 58 3.756 2.494 0.610 1.00 53.43 H new ATOM 0 HA ALA A 58 2.865 3.907 -1.701 1.00 4.23 H new ATOM 0 HB1 ALA A 58 0.646 3.097 -0.968 1.00 54.51 H new ATOM 0 HB2 ALA A 58 1.863 1.799 -0.945 1.00 54.51 H new ATOM 0 HB3 ALA A 58 1.357 2.571 0.576 1.00 54.51 H new ATOM 820 N ALA A 59 2.075 5.172 1.250 1.00 1.23 N ATOM 821 CA ALA A 59 1.658 6.398 1.919 1.00 54.24 C ATOM 822 C ALA A 59 2.476 7.592 1.439 1.00 61.20 C ATOM 823 O ALA A 59 1.932 8.662 1.168 1.00 41.43 O ATOM 824 CB ALA A 59 1.780 6.244 3.428 1.00 53.12 C ATOM 0 H ALA A 59 2.245 4.386 1.877 1.00 1.23 H new ATOM 0 HA ALA A 59 0.614 6.582 1.667 1.00 54.24 H new ATOM 0 HB1 ALA A 59 1.465 7.167 3.915 1.00 53.12 H new ATOM 0 HB2 ALA A 59 1.146 5.423 3.762 1.00 53.12 H new ATOM 0 HB3 ALA A 59 2.817 6.031 3.689 1.00 53.12 H new ATOM 830 N ARG A 60 3.788 7.402 1.338 1.00 62.50 N ATOM 831 CA ARG A 60 4.682 8.464 0.893 1.00 34.30 C ATOM 832 C ARG A 60 4.306 8.941 -0.507 1.00 74.34 C ATOM 833 O ARG A 60 4.322 10.138 -0.790 1.00 4.14 O ATOM 834 CB ARG A 60 6.132 7.976 0.904 1.00 20.10 C ATOM 835 CG ARG A 60 7.124 9.004 0.385 1.00 1.42 C ATOM 836 CD ARG A 60 7.622 8.645 -1.007 1.00 71.43 C ATOM 837 NE ARG A 60 9.032 8.265 -1.003 1.00 12.32 N ATOM 838 CZ ARG A 60 9.672 7.803 -2.071 1.00 51.33 C ATOM 839 NH1 ARG A 60 9.031 7.665 -3.223 1.00 61.42 N ATOM 840 NH2 ARG A 60 10.957 7.480 -1.988 1.00 70.24 N ATOM 0 H ARG A 60 4.255 6.522 1.558 1.00 62.50 H new ATOM 0 HA ARG A 60 4.582 9.302 1.583 1.00 34.30 H new ATOM 0 HB2 ARG A 60 6.406 7.701 1.922 1.00 20.10 H new ATOM 0 HB3 ARG A 60 6.207 7.073 0.298 1.00 20.10 H new ATOM 0 HG2 ARG A 60 6.653 9.987 0.362 1.00 1.42 H new ATOM 0 HG3 ARG A 60 7.970 9.072 1.069 1.00 1.42 H new ATOM 0 HD2 ARG A 60 7.026 7.823 -1.404 1.00 71.43 H new ATOM 0 HD3 ARG A 60 7.478 9.495 -1.674 1.00 71.43 H new ATOM 0 HE ARG A 60 9.554 8.360 -0.132 1.00 12.32 H new ATOM 0 HH11 ARG A 60 8.044 7.914 -3.291 1.00 61.42 H new ATOM 0 HH12 ARG A 60 9.525 7.310 -4.042 1.00 61.42 H new ATOM 0 HH21 ARG A 60 11.454 7.587 -1.103 1.00 70.24 H new ATOM 0 HH22 ARG A 60 11.448 7.125 -2.809 1.00 70.24 H new ATOM 851 N ALA A 61 3.966 7.996 -1.377 1.00 64.52 N ATOM 852 CA ALA A 61 3.584 8.319 -2.745 1.00 3.44 C ATOM 853 C ALA A 61 2.236 9.031 -2.786 1.00 0.01 C ATOM 854 O ALA A 61 2.035 9.955 -3.573 1.00 74.11 O ATOM 855 CB ALA A 61 3.542 7.058 -3.595 1.00 23.53 C ATOM 0 H ALA A 61 3.947 7.000 -1.158 1.00 64.52 H new ATOM 0 HA ALA A 61 4.335 8.994 -3.154 1.00 3.44 H new ATOM 0 HB1 ALA A 61 3.255 7.316 -4.614 1.00 23.53 H new ATOM 0 HB2 ALA A 61 4.527 6.591 -3.602 1.00 23.53 H new ATOM 0 HB3 ALA A 61 2.814 6.362 -3.178 1.00 23.53 H new ATOM 861 N MET A 62 1.316 8.594 -1.932 1.00 60.21 N ATOM 862 CA MET A 62 -0.014 9.190 -1.871 1.00 33.14 C ATOM 863 C MET A 62 0.044 10.584 -1.254 1.00 60.22 C ATOM 864 O MET A 62 -0.847 11.405 -1.468 1.00 43.32 O ATOM 865 CB MET A 62 -0.958 8.300 -1.060 1.00 32.14 C ATOM 866 CG MET A 62 -1.056 6.878 -1.587 1.00 31.52 C ATOM 867 SD MET A 62 -1.385 6.816 -3.359 1.00 25.43 S ATOM 868 CE MET A 62 -2.690 8.033 -3.504 1.00 60.30 C ATOM 0 H MET A 62 1.467 7.830 -1.273 1.00 60.21 H new ATOM 0 HA MET A 62 -0.394 9.277 -2.889 1.00 33.14 H new ATOM 0 HB2 MET A 62 -0.618 8.272 -0.025 1.00 32.14 H new ATOM 0 HB3 MET A 62 -1.952 8.747 -1.057 1.00 32.14 H new ATOM 0 HG2 MET A 62 -0.126 6.351 -1.375 1.00 31.52 H new ATOM 0 HG3 MET A 62 -1.849 6.351 -1.055 1.00 31.52 H new ATOM 0 HE1 MET A 62 -2.953 8.161 -4.554 1.00 60.30 H new ATOM 0 HE2 MET A 62 -3.566 7.695 -2.950 1.00 60.30 H new ATOM 0 HE3 MET A 62 -2.347 8.984 -3.097 1.00 60.30 H new ATOM 876 N GLY A 63 1.099 10.845 -0.489 1.00 31.44 N ATOM 877 CA GLY A 63 1.253 12.141 0.147 1.00 70.14 C ATOM 878 C GLY A 63 1.180 12.058 1.659 1.00 43.10 C ATOM 879 O GLY A 63 1.503 13.020 2.357 1.00 41.45 O ATOM 0 H GLY A 63 1.850 10.182 -0.298 1.00 31.44 H new ATOM 0 HA2 GLY A 63 2.210 12.574 -0.144 1.00 70.14 H new ATOM 0 HA3 GLY A 63 0.476 12.814 -0.215 1.00 70.14 H new ATOM 883 N LEU A 64 0.754 10.906 2.166 1.00 41.30 N ATOM 884 CA LEU A 64 0.638 10.702 3.606 1.00 20.21 C ATOM 885 C LEU A 64 1.997 10.833 4.286 1.00 53.30 C ATOM 886 O LEU A 64 2.950 11.343 3.697 1.00 31.31 O ATOM 887 CB LEU A 64 0.040 9.325 3.898 1.00 63.43 C ATOM 888 CG LEU A 64 -1.131 8.899 3.011 1.00 34.12 C ATOM 889 CD1 LEU A 64 -1.763 7.620 3.539 1.00 51.41 C ATOM 890 CD2 LEU A 64 -2.166 10.011 2.923 1.00 75.10 C ATOM 0 H LEU A 64 0.484 10.100 1.602 1.00 41.30 H new ATOM 0 HA LEU A 64 -0.023 11.471 4.005 1.00 20.21 H new ATOM 0 HB2 LEU A 64 0.831 8.580 3.804 1.00 63.43 H new ATOM 0 HB3 LEU A 64 -0.292 9.308 4.936 1.00 63.43 H new ATOM 0 HG LEU A 64 -0.750 8.705 2.008 1.00 34.12 H new ATOM 0 HD11 LEU A 64 -2.594 7.332 2.895 1.00 51.41 H new ATOM 0 HD12 LEU A 64 -1.019 6.824 3.549 1.00 51.41 H new ATOM 0 HD13 LEU A 64 -2.129 7.786 4.552 1.00 51.41 H new ATOM 0 HD21 LEU A 64 -2.992 9.690 2.288 1.00 75.10 H new ATOM 0 HD22 LEU A 64 -2.542 10.238 3.921 1.00 75.10 H new ATOM 0 HD23 LEU A 64 -1.706 10.903 2.497 1.00 75.10 H new ATOM 901 N SER A 65 2.078 10.368 5.529 1.00 23.03 N ATOM 902 CA SER A 65 3.320 10.435 6.289 1.00 14.33 C ATOM 903 C SER A 65 3.224 9.598 7.561 1.00 22.34 C ATOM 904 O SER A 65 3.924 8.597 7.712 1.00 73.23 O ATOM 905 CB SER A 65 3.648 11.887 6.645 1.00 61.24 C ATOM 906 OG SER A 65 5.014 12.031 6.992 1.00 43.34 O ATOM 0 H SER A 65 1.299 9.941 6.030 1.00 23.03 H new ATOM 0 HA SER A 65 4.119 10.031 5.667 1.00 14.33 H new ATOM 0 HB2 SER A 65 3.414 12.534 5.799 1.00 61.24 H new ATOM 0 HB3 SER A 65 3.022 12.211 7.477 1.00 61.24 H new ATOM 0 HG SER A 65 5.198 12.968 7.213 1.00 43.34 H new ATOM 911 N ALA A 66 2.353 10.015 8.473 1.00 55.43 N ATOM 912 CA ALA A 66 2.162 9.304 9.731 1.00 61.44 C ATOM 913 C ALA A 66 1.049 8.269 9.613 1.00 50.42 C ATOM 914 O ALA A 66 0.862 7.439 10.503 1.00 42.14 O ATOM 915 CB ALA A 66 1.856 10.286 10.852 1.00 10.21 C ATOM 0 H ALA A 66 1.767 10.843 8.364 1.00 55.43 H new ATOM 0 HA ALA A 66 3.087 8.779 9.967 1.00 61.44 H new ATOM 0 HB1 ALA A 66 1.716 9.741 11.785 1.00 10.21 H new ATOM 0 HB2 ALA A 66 2.686 10.984 10.961 1.00 10.21 H new ATOM 0 HB3 ALA A 66 0.947 10.838 10.614 1.00 10.21 H new ATOM 921 N VAL A 67 0.310 8.324 8.509 1.00 5.22 N ATOM 922 CA VAL A 67 -0.785 7.391 8.274 1.00 71.43 C ATOM 923 C VAL A 67 -0.270 5.963 8.129 1.00 4.41 C ATOM 924 O VAL A 67 -1.049 5.011 8.096 1.00 13.20 O ATOM 925 CB VAL A 67 -1.584 7.768 7.013 1.00 3.31 C ATOM 926 CG1 VAL A 67 -2.846 6.926 6.907 1.00 12.02 C ATOM 927 CG2 VAL A 67 -1.922 9.251 7.021 1.00 42.42 C ATOM 0 H VAL A 67 0.450 9.006 7.763 1.00 5.22 H new ATOM 0 HA VAL A 67 -1.442 7.450 9.142 1.00 71.43 H new ATOM 0 HB VAL A 67 -0.966 7.563 6.139 1.00 3.31 H new ATOM 0 HG11 VAL A 67 -3.397 7.207 6.010 1.00 12.02 H new ATOM 0 HG12 VAL A 67 -2.576 5.871 6.851 1.00 12.02 H new ATOM 0 HG13 VAL A 67 -3.471 7.095 7.784 1.00 12.02 H new ATOM 0 HG21 VAL A 67 -2.487 9.500 6.123 1.00 42.42 H new ATOM 0 HG22 VAL A 67 -2.521 9.483 7.902 1.00 42.42 H new ATOM 0 HG23 VAL A 67 -1.001 9.834 7.044 1.00 42.42 H new ATOM 937 N ALA A 68 1.049 5.823 8.040 1.00 33.12 N ATOM 938 CA ALA A 68 1.669 4.511 7.900 1.00 43.31 C ATOM 939 C ALA A 68 0.859 3.441 8.624 1.00 20.02 C ATOM 940 O ALA A 68 0.831 3.396 9.853 1.00 14.23 O ATOM 941 CB ALA A 68 3.096 4.543 8.427 1.00 53.20 C ATOM 0 H ALA A 68 1.708 6.601 8.062 1.00 33.12 H new ATOM 0 HA ALA A 68 1.691 4.258 6.840 1.00 43.31 H new ATOM 0 HB1 ALA A 68 3.547 3.557 8.316 1.00 53.20 H new ATOM 0 HB2 ALA A 68 3.676 5.273 7.862 1.00 53.20 H new ATOM 0 HB3 ALA A 68 3.089 4.822 9.481 1.00 53.20 H new ATOM 947 N MET A 69 0.202 2.580 7.853 1.00 2.05 N ATOM 948 CA MET A 69 -0.608 1.509 8.422 1.00 14.21 C ATOM 949 C MET A 69 -1.837 2.074 9.128 1.00 60.40 C ATOM 950 O MET A 69 -1.839 2.297 10.339 1.00 41.22 O ATOM 951 CB MET A 69 0.222 0.680 9.404 1.00 65.24 C ATOM 952 CG MET A 69 1.620 0.359 8.898 1.00 53.43 C ATOM 953 SD MET A 69 2.244 -1.209 9.529 1.00 61.43 S ATOM 954 CE MET A 69 1.040 -2.351 8.853 1.00 12.44 C ATOM 0 H MET A 69 0.215 2.603 6.833 1.00 2.05 H new ATOM 0 HA MET A 69 -0.942 0.867 7.607 1.00 14.21 H new ATOM 0 HB2 MET A 69 0.301 1.221 10.347 1.00 65.24 H new ATOM 0 HB3 MET A 69 -0.303 -0.252 9.614 1.00 65.24 H new ATOM 0 HG2 MET A 69 1.610 0.329 7.808 1.00 53.43 H new ATOM 0 HG3 MET A 69 2.300 1.160 9.189 1.00 53.43 H new ATOM 0 HE1 MET A 69 1.504 -3.327 8.710 1.00 12.44 H new ATOM 0 HE2 MET A 69 0.201 -2.446 9.543 1.00 12.44 H new ATOM 0 HE3 MET A 69 0.681 -1.976 7.895 1.00 12.44 H new ATOM 962 N PRO A 70 -2.908 2.310 8.355 1.00 12.03 N ATOM 963 CA PRO A 70 -4.162 2.852 8.886 1.00 61.24 C ATOM 964 C PRO A 70 -4.898 1.849 9.768 1.00 54.10 C ATOM 965 O PRO A 70 -5.364 2.189 10.856 1.00 54.15 O ATOM 966 CB PRO A 70 -4.978 3.155 7.626 1.00 74.12 C ATOM 967 CG PRO A 70 -4.438 2.228 6.593 1.00 11.53 C ATOM 968 CD PRO A 70 -2.976 2.067 6.904 1.00 13.02 C ATOM 0 HA PRO A 70 -3.994 3.721 9.522 1.00 61.24 H new ATOM 0 HB2 PRO A 70 -6.042 2.985 7.793 1.00 74.12 H new ATOM 0 HB3 PRO A 70 -4.865 4.196 7.322 1.00 74.12 H new ATOM 0 HG2 PRO A 70 -4.952 1.267 6.624 1.00 11.53 H new ATOM 0 HG3 PRO A 70 -4.581 2.634 5.592 1.00 11.53 H new ATOM 0 HD2 PRO A 70 -2.618 1.070 6.646 1.00 13.02 H new ATOM 0 HD3 PRO A 70 -2.366 2.779 6.348 1.00 13.02 H new ATOM 973 N THR A 71 -4.999 0.611 9.295 1.00 44.42 N ATOM 974 CA THR A 71 -5.679 -0.440 10.039 1.00 34.42 C ATOM 975 C THR A 71 -5.069 -1.805 9.746 1.00 62.50 C ATOM 976 O THR A 71 -4.145 -1.923 8.941 1.00 53.23 O ATOM 977 CB THR A 71 -7.183 -0.481 9.710 1.00 0.22 C ATOM 978 OG1 THR A 71 -7.863 -1.345 10.627 1.00 1.43 O ATOM 979 CG2 THR A 71 -7.411 -0.966 8.285 1.00 15.23 C ATOM 0 H THR A 71 -4.617 0.312 8.398 1.00 44.42 H new ATOM 0 HA THR A 71 -5.553 -0.208 11.097 1.00 34.42 H new ATOM 0 HB THR A 71 -7.580 0.530 9.802 1.00 0.22 H new ATOM 0 HG1 THR A 71 -8.819 -1.364 10.411 1.00 1.43 H new ATOM 0 HG21 THR A 71 -8.480 -0.987 8.075 1.00 15.23 H new ATOM 0 HG22 THR A 71 -6.917 -0.290 7.587 1.00 15.23 H new ATOM 0 HG23 THR A 71 -6.999 -1.969 8.172 1.00 15.23 H new ATOM 987 N ASN A 72 -5.590 -2.836 10.404 1.00 63.40 N ATOM 988 CA ASN A 72 -5.095 -4.194 10.212 1.00 62.04 C ATOM 989 C ASN A 72 -5.032 -4.546 8.728 1.00 71.21 C ATOM 990 O ASN A 72 -5.908 -4.167 7.952 1.00 45.54 O ATOM 991 CB ASN A 72 -5.991 -5.194 10.946 1.00 52.05 C ATOM 992 CG ASN A 72 -5.305 -6.528 11.173 1.00 44.54 C ATOM 993 OD1 ASN A 72 -4.119 -6.684 10.886 1.00 23.22 O ATOM 994 ND2 ASN A 72 -6.051 -7.497 11.690 1.00 54.45 N ATOM 0 H ASN A 72 -6.355 -2.757 11.075 1.00 63.40 H new ATOM 0 HA ASN A 72 -4.087 -4.248 10.624 1.00 62.04 H new ATOM 0 HB2 ASN A 72 -6.289 -4.774 11.907 1.00 52.05 H new ATOM 0 HB3 ASN A 72 -6.903 -5.351 10.370 1.00 52.05 H new ATOM 0 HD21 ASN A 72 -5.644 -8.416 11.864 1.00 54.45 H new ATOM 0 HD22 ASN A 72 -7.031 -7.322 11.913 1.00 54.45 H new ATOM 1000 N PHE A 73 -3.989 -5.274 8.342 1.00 14.33 N ATOM 1001 CA PHE A 73 -3.810 -5.676 6.953 1.00 5.33 C ATOM 1002 C PHE A 73 -3.758 -7.196 6.829 1.00 53.13 C ATOM 1003 O PHE A 73 -3.952 -7.748 5.746 1.00 32.40 O ATOM 1004 CB PHE A 73 -2.528 -5.064 6.383 1.00 41.15 C ATOM 1005 CG PHE A 73 -2.693 -3.640 5.934 1.00 23.14 C ATOM 1006 CD1 PHE A 73 -3.648 -3.303 4.988 1.00 34.51 C ATOM 1007 CD2 PHE A 73 -1.892 -2.637 6.457 1.00 75.41 C ATOM 1008 CE1 PHE A 73 -3.800 -1.994 4.574 1.00 42.44 C ATOM 1009 CE2 PHE A 73 -2.040 -1.326 6.047 1.00 42.32 C ATOM 1010 CZ PHE A 73 -2.997 -1.004 5.104 1.00 32.14 C ATOM 0 H PHE A 73 -3.255 -5.597 8.972 1.00 14.33 H new ATOM 0 HA PHE A 73 -4.664 -5.311 6.383 1.00 5.33 H new ATOM 0 HB2 PHE A 73 -1.745 -5.110 7.140 1.00 41.15 H new ATOM 0 HB3 PHE A 73 -2.191 -5.666 5.539 1.00 41.15 H new ATOM 0 HD1 PHE A 73 -4.280 -4.072 4.570 1.00 34.51 H new ATOM 0 HD2 PHE A 73 -1.143 -2.883 7.195 1.00 75.41 H new ATOM 0 HE1 PHE A 73 -4.547 -1.745 3.835 1.00 42.44 H new ATOM 0 HE2 PHE A 73 -1.409 -0.554 6.463 1.00 42.32 H new ATOM 0 HZ PHE A 73 -3.117 0.020 4.782 1.00 32.14 H new ATOM 1019 N ALA A 74 -3.496 -7.867 7.947 1.00 4.34 N ATOM 1020 CA ALA A 74 -3.421 -9.321 7.965 1.00 61.42 C ATOM 1021 C ALA A 74 -4.711 -9.945 7.442 1.00 62.11 C ATOM 1022 O ALA A 74 -4.733 -11.110 7.043 1.00 45.40 O ATOM 1023 CB ALA A 74 -3.125 -9.817 9.372 1.00 34.41 C ATOM 0 H ALA A 74 -3.332 -7.425 8.852 1.00 4.34 H new ATOM 0 HA ALA A 74 -2.608 -9.626 7.306 1.00 61.42 H new ATOM 0 HB1 ALA A 74 -3.072 -10.906 9.370 1.00 34.41 H new ATOM 0 HB2 ALA A 74 -2.173 -9.408 9.709 1.00 34.41 H new ATOM 0 HB3 ALA A 74 -3.918 -9.494 10.046 1.00 34.41 H new ATOM 1029 N THR A 75 -5.785 -9.162 7.448 1.00 41.11 N ATOM 1030 CA THR A 75 -7.080 -9.637 6.976 1.00 33.52 C ATOM 1031 C THR A 75 -7.624 -8.743 5.869 1.00 44.22 C ATOM 1032 O THR A 75 -8.777 -8.877 5.459 1.00 32.43 O ATOM 1033 CB THR A 75 -8.107 -9.698 8.122 1.00 73.41 C ATOM 1034 OG1 THR A 75 -9.372 -10.151 7.624 1.00 11.05 O ATOM 1035 CG2 THR A 75 -8.272 -8.335 8.775 1.00 10.11 C ATOM 0 H THR A 75 -5.784 -8.196 7.775 1.00 41.11 H new ATOM 0 HA THR A 75 -6.924 -10.642 6.583 1.00 33.52 H new ATOM 0 HB THR A 75 -7.740 -10.399 8.871 1.00 73.41 H new ATOM 0 HG1 THR A 75 -9.503 -9.816 6.712 1.00 11.05 H new ATOM 0 HG21 THR A 75 -9.002 -8.404 9.581 1.00 10.11 H new ATOM 0 HG22 THR A 75 -7.315 -8.007 9.180 1.00 10.11 H new ATOM 0 HG23 THR A 75 -8.618 -7.615 8.033 1.00 10.11 H new ATOM 1043 N ALA A 76 -6.787 -7.830 5.387 1.00 1.03 N ATOM 1044 CA ALA A 76 -7.183 -6.915 4.324 1.00 54.11 C ATOM 1045 C ALA A 76 -6.524 -7.290 3.002 1.00 62.22 C ATOM 1046 O ALA A 76 -5.451 -7.895 2.980 1.00 23.33 O ATOM 1047 CB ALA A 76 -6.834 -5.483 4.702 1.00 74.24 C ATOM 0 H ALA A 76 -5.830 -7.705 5.716 1.00 1.03 H new ATOM 0 HA ALA A 76 -8.263 -6.993 4.196 1.00 54.11 H new ATOM 0 HB1 ALA A 76 -7.136 -4.811 3.899 1.00 74.24 H new ATOM 0 HB2 ALA A 76 -7.357 -5.211 5.619 1.00 74.24 H new ATOM 0 HB3 ALA A 76 -5.759 -5.400 4.860 1.00 74.24 H new ATOM 1053 N THR A 77 -7.172 -6.929 1.899 1.00 24.03 N ATOM 1054 CA THR A 77 -6.649 -7.230 0.571 1.00 14.22 C ATOM 1055 C THR A 77 -6.054 -5.987 -0.079 1.00 21.53 C ATOM 1056 O THR A 77 -6.199 -4.877 0.431 1.00 13.14 O ATOM 1057 CB THR A 77 -7.744 -7.803 -0.348 1.00 12.14 C ATOM 1058 OG1 THR A 77 -8.651 -6.763 -0.736 1.00 22.44 O ATOM 1059 CG2 THR A 77 -8.510 -8.916 0.351 1.00 14.21 C ATOM 0 H THR A 77 -8.060 -6.428 1.899 1.00 24.03 H new ATOM 0 HA THR A 77 -5.867 -7.978 0.701 1.00 14.22 H new ATOM 0 HB THR A 77 -7.264 -8.216 -1.235 1.00 12.14 H new ATOM 0 HG1 THR A 77 -8.815 -6.815 -1.701 1.00 22.44 H new ATOM 0 HG21 THR A 77 -9.278 -9.305 -0.318 1.00 14.21 H new ATOM 0 HG22 THR A 77 -7.822 -9.718 0.619 1.00 14.21 H new ATOM 0 HG23 THR A 77 -8.979 -8.524 1.253 1.00 14.21 H new ATOM 1067 N VAL A 78 -5.382 -6.181 -1.210 1.00 51.22 N ATOM 1068 CA VAL A 78 -4.766 -5.074 -1.932 1.00 2.31 C ATOM 1069 C VAL A 78 -5.769 -3.953 -2.179 1.00 2.34 C ATOM 1070 O VAL A 78 -5.421 -2.772 -2.127 1.00 74.24 O ATOM 1071 CB VAL A 78 -4.189 -5.537 -3.284 1.00 31.51 C ATOM 1072 CG1 VAL A 78 -3.132 -6.612 -3.072 1.00 2.11 C ATOM 1073 CG2 VAL A 78 -5.299 -6.042 -4.192 1.00 13.32 C ATOM 0 H VAL A 78 -5.251 -7.094 -1.646 1.00 51.22 H new ATOM 0 HA VAL A 78 -3.955 -4.701 -1.307 1.00 2.31 H new ATOM 0 HB VAL A 78 -3.715 -4.684 -3.769 1.00 31.51 H new ATOM 0 HG11 VAL A 78 -2.735 -6.927 -4.037 1.00 2.11 H new ATOM 0 HG12 VAL A 78 -2.323 -6.212 -2.460 1.00 2.11 H new ATOM 0 HG13 VAL A 78 -3.580 -7.468 -2.567 1.00 2.11 H new ATOM 0 HG21 VAL A 78 -4.873 -6.365 -5.142 1.00 13.32 H new ATOM 0 HG22 VAL A 78 -5.804 -6.883 -3.716 1.00 13.32 H new ATOM 0 HG23 VAL A 78 -6.017 -5.241 -4.369 1.00 13.32 H new ATOM 1083 N ARG A 79 -7.015 -4.328 -2.449 1.00 22.24 N ATOM 1084 CA ARG A 79 -8.069 -3.354 -2.704 1.00 22.20 C ATOM 1085 C ARG A 79 -8.358 -2.526 -1.456 1.00 11.11 C ATOM 1086 O ARG A 79 -8.581 -1.319 -1.539 1.00 14.21 O ATOM 1087 CB ARG A 79 -9.344 -4.060 -3.167 1.00 64.44 C ATOM 1088 CG ARG A 79 -10.533 -3.128 -3.326 1.00 4.50 C ATOM 1089 CD ARG A 79 -11.409 -3.125 -2.083 1.00 53.42 C ATOM 1090 NE ARG A 79 -12.293 -1.963 -2.038 1.00 23.14 N ATOM 1091 CZ ARG A 79 -13.146 -1.726 -1.048 1.00 62.45 C ATOM 1092 NH1 ARG A 79 -13.229 -2.567 -0.026 1.00 54.31 N ATOM 1093 NH2 ARG A 79 -13.917 -0.647 -1.079 1.00 63.01 N ATOM 0 H ARG A 79 -7.319 -5.300 -2.497 1.00 22.24 H new ATOM 0 HA ARG A 79 -7.726 -2.684 -3.492 1.00 22.20 H new ATOM 0 HB2 ARG A 79 -9.150 -4.554 -4.119 1.00 64.44 H new ATOM 0 HB3 ARG A 79 -9.598 -4.840 -2.449 1.00 64.44 H new ATOM 0 HG2 ARG A 79 -10.180 -2.116 -3.526 1.00 4.50 H new ATOM 0 HG3 ARG A 79 -11.125 -3.435 -4.189 1.00 4.50 H new ATOM 0 HD2 ARG A 79 -12.007 -4.036 -2.059 1.00 53.42 H new ATOM 0 HD3 ARG A 79 -10.777 -3.134 -1.195 1.00 53.42 H new ATOM 0 HE ARG A 79 -12.253 -1.297 -2.809 1.00 23.14 H new ATOM 0 HH11 ARG A 79 -12.637 -3.397 0.001 1.00 54.31 H new ATOM 0 HH12 ARG A 79 -13.885 -2.383 0.734 1.00 54.31 H new ATOM 0 HH21 ARG A 79 -13.855 0.002 -1.864 1.00 63.01 H new ATOM 0 HH22 ARG A 79 -14.572 -0.466 -0.318 1.00 63.01 H new ATOM 1104 N GLU A 80 -8.352 -3.184 -0.301 1.00 30.30 N ATOM 1105 CA GLU A 80 -8.615 -2.509 0.964 1.00 13.31 C ATOM 1106 C GLU A 80 -7.526 -1.485 1.271 1.00 52.03 C ATOM 1107 O GLU A 80 -7.815 -0.334 1.596 1.00 42.13 O ATOM 1108 CB GLU A 80 -8.709 -3.527 2.103 1.00 4.44 C ATOM 1109 CG GLU A 80 -9.950 -4.401 2.037 1.00 25.24 C ATOM 1110 CD GLU A 80 -9.966 -5.472 3.110 1.00 71.05 C ATOM 1111 OE1 GLU A 80 -9.730 -5.136 4.289 1.00 1.21 O ATOM 1112 OE2 GLU A 80 -10.216 -6.648 2.770 1.00 3.24 O ATOM 0 H GLU A 80 -8.168 -4.184 -0.215 1.00 30.30 H new ATOM 0 HA GLU A 80 -9.567 -1.986 0.875 1.00 13.31 H new ATOM 0 HB2 GLU A 80 -7.825 -4.164 2.084 1.00 4.44 H new ATOM 0 HB3 GLU A 80 -8.699 -2.996 3.055 1.00 4.44 H new ATOM 0 HG2 GLU A 80 -10.837 -3.775 2.140 1.00 25.24 H new ATOM 0 HG3 GLU A 80 -10.006 -4.873 1.056 1.00 25.24 H new ATOM 1117 N MET A 81 -6.273 -1.913 1.166 1.00 42.12 N ATOM 1118 CA MET A 81 -5.140 -1.034 1.431 1.00 21.12 C ATOM 1119 C MET A 81 -5.113 0.130 0.447 1.00 42.50 C ATOM 1120 O MET A 81 -4.786 1.258 0.815 1.00 10.22 O ATOM 1121 CB MET A 81 -3.828 -1.818 1.347 1.00 1.52 C ATOM 1122 CG MET A 81 -2.594 -0.968 1.606 1.00 41.45 C ATOM 1123 SD MET A 81 -1.080 -1.741 1.005 1.00 55.51 S ATOM 1124 CE MET A 81 -0.779 -2.944 2.297 1.00 62.01 C ATOM 0 H MET A 81 -6.016 -2.863 0.899 1.00 42.12 H new ATOM 0 HA MET A 81 -5.252 -0.633 2.438 1.00 21.12 H new ATOM 0 HB2 MET A 81 -3.855 -2.634 2.069 1.00 1.52 H new ATOM 0 HB3 MET A 81 -3.747 -2.270 0.358 1.00 1.52 H new ATOM 0 HG2 MET A 81 -2.718 0.002 1.124 1.00 41.45 H new ATOM 0 HG3 MET A 81 -2.503 -0.783 2.676 1.00 41.45 H new ATOM 0 HE1 MET A 81 0.295 -3.089 2.416 1.00 62.01 H new ATOM 0 HE2 MET A 81 -1.203 -2.584 3.235 1.00 62.01 H new ATOM 0 HE3 MET A 81 -1.246 -3.892 2.028 1.00 62.01 H new ATOM 1132 N ALA A 82 -5.459 -0.150 -0.805 1.00 74.05 N ATOM 1133 CA ALA A 82 -5.477 0.876 -1.841 1.00 72.22 C ATOM 1134 C ALA A 82 -6.630 1.851 -1.628 1.00 51.25 C ATOM 1135 O ALA A 82 -6.437 3.066 -1.639 1.00 21.00 O ATOM 1136 CB ALA A 82 -5.573 0.234 -3.217 1.00 43.33 C ATOM 0 H ALA A 82 -5.731 -1.079 -1.127 1.00 74.05 H new ATOM 0 HA ALA A 82 -4.545 1.438 -1.778 1.00 72.22 H new ATOM 0 HB1 ALA A 82 -5.586 1.011 -3.981 1.00 43.33 H new ATOM 0 HB2 ALA A 82 -4.713 -0.417 -3.376 1.00 43.33 H new ATOM 0 HB3 ALA A 82 -6.489 -0.353 -3.282 1.00 43.33 H new ATOM 1142 N GLU A 83 -7.829 1.310 -1.437 1.00 74.15 N ATOM 1143 CA GLU A 83 -9.013 2.134 -1.223 1.00 61.20 C ATOM 1144 C GLU A 83 -8.836 3.037 -0.006 1.00 35.21 C ATOM 1145 O GLU A 83 -9.299 4.176 0.007 1.00 2.21 O ATOM 1146 CB GLU A 83 -10.250 1.251 -1.042 1.00 11.20 C ATOM 1147 CG GLU A 83 -11.025 1.018 -2.328 1.00 72.03 C ATOM 1148 CD GLU A 83 -11.428 2.311 -3.009 1.00 63.02 C ATOM 1149 OE1 GLU A 83 -11.416 3.364 -2.337 1.00 60.24 O ATOM 1150 OE2 GLU A 83 -11.755 2.271 -4.214 1.00 34.24 O ATOM 0 H GLU A 83 -8.006 0.306 -1.426 1.00 74.15 H new ATOM 0 HA GLU A 83 -9.150 2.763 -2.103 1.00 61.20 H new ATOM 0 HB2 GLU A 83 -9.942 0.288 -0.634 1.00 11.20 H new ATOM 0 HB3 GLU A 83 -10.911 1.712 -0.308 1.00 11.20 H new ATOM 0 HG2 GLU A 83 -10.417 0.426 -3.012 1.00 72.03 H new ATOM 0 HG3 GLU A 83 -11.919 0.434 -2.108 1.00 72.03 H new ATOM 1155 N ALA A 84 -8.163 2.517 1.016 1.00 2.22 N ATOM 1156 CA ALA A 84 -7.922 3.275 2.237 1.00 1.23 C ATOM 1157 C ALA A 84 -6.943 4.419 1.989 1.00 72.12 C ATOM 1158 O ALA A 84 -7.094 5.509 2.543 1.00 34.30 O ATOM 1159 CB ALA A 84 -7.400 2.359 3.333 1.00 24.23 C ATOM 0 H ALA A 84 -7.775 1.574 1.022 1.00 2.22 H new ATOM 0 HA ALA A 84 -8.869 3.706 2.560 1.00 1.23 H new ATOM 0 HB1 ALA A 84 -7.225 2.939 4.239 1.00 24.23 H new ATOM 0 HB2 ALA A 84 -8.135 1.580 3.537 1.00 24.23 H new ATOM 0 HB3 ALA A 84 -6.466 1.900 3.009 1.00 24.23 H new ATOM 1165 N LEU A 85 -5.942 4.163 1.155 1.00 13.13 N ATOM 1166 CA LEU A 85 -4.937 5.172 0.835 1.00 31.02 C ATOM 1167 C LEU A 85 -5.517 6.248 -0.077 1.00 72.40 C ATOM 1168 O LEU A 85 -5.325 7.441 0.155 1.00 24.32 O ATOM 1169 CB LEU A 85 -3.726 4.519 0.167 1.00 51.21 C ATOM 1170 CG LEU A 85 -2.551 4.184 1.087 1.00 32.40 C ATOM 1171 CD1 LEU A 85 -1.748 3.021 0.525 1.00 0.31 C ATOM 1172 CD2 LEU A 85 -1.662 5.403 1.284 1.00 41.55 C ATOM 0 H LEU A 85 -5.804 3.267 0.688 1.00 13.13 H new ATOM 0 HA LEU A 85 -4.621 5.643 1.766 1.00 31.02 H new ATOM 0 HB2 LEU A 85 -4.055 3.600 -0.318 1.00 51.21 H new ATOM 0 HB3 LEU A 85 -3.368 5.183 -0.619 1.00 51.21 H new ATOM 0 HG LEU A 85 -2.948 3.889 2.058 1.00 32.40 H new ATOM 0 HD11 LEU A 85 -0.916 2.797 1.193 1.00 0.31 H new ATOM 0 HD12 LEU A 85 -2.390 2.144 0.438 1.00 0.31 H new ATOM 0 HD13 LEU A 85 -1.362 3.287 -0.459 1.00 0.31 H new ATOM 0 HD21 LEU A 85 -0.832 5.145 1.941 1.00 41.55 H new ATOM 0 HD22 LEU A 85 -1.273 5.730 0.319 1.00 41.55 H new ATOM 0 HD23 LEU A 85 -2.243 6.209 1.733 1.00 41.55 H new ATOM 1183 N GLU A 86 -6.230 5.816 -1.113 1.00 4.34 N ATOM 1184 CA GLU A 86 -6.838 6.744 -2.060 1.00 52.24 C ATOM 1185 C GLU A 86 -7.865 7.635 -1.365 1.00 24.50 C ATOM 1186 O GLU A 86 -8.038 8.798 -1.725 1.00 44.03 O ATOM 1187 CB GLU A 86 -7.505 5.977 -3.203 1.00 24.52 C ATOM 1188 CG GLU A 86 -8.916 5.515 -2.886 1.00 52.13 C ATOM 1189 CD GLU A 86 -9.590 4.842 -4.067 1.00 35.40 C ATOM 1190 OE1 GLU A 86 -9.162 3.729 -4.438 1.00 71.03 O ATOM 1191 OE2 GLU A 86 -10.544 5.428 -4.618 1.00 14.44 O ATOM 0 H GLU A 86 -6.401 4.831 -1.318 1.00 4.34 H new ATOM 0 HA GLU A 86 -6.049 7.376 -2.467 1.00 52.24 H new ATOM 0 HB2 GLU A 86 -7.530 6.612 -4.089 1.00 24.52 H new ATOM 0 HB3 GLU A 86 -6.895 5.108 -3.451 1.00 24.52 H new ATOM 0 HG2 GLU A 86 -8.887 4.821 -2.046 1.00 52.13 H new ATOM 0 HG3 GLU A 86 -9.513 6.371 -2.572 1.00 52.13 H new ATOM 1196 N ALA A 87 -8.542 7.078 -0.366 1.00 72.11 N ATOM 1197 CA ALA A 87 -9.550 7.820 0.380 1.00 73.41 C ATOM 1198 C ALA A 87 -8.922 8.979 1.148 1.00 44.14 C ATOM 1199 O ALA A 87 -9.532 10.037 1.301 1.00 33.25 O ATOM 1200 CB ALA A 87 -10.291 6.893 1.333 1.00 1.22 C ATOM 0 H ALA A 87 -8.410 6.116 -0.055 1.00 72.11 H new ATOM 0 HA ALA A 87 -10.262 8.234 -0.333 1.00 73.41 H new ATOM 0 HB1 ALA A 87 -11.041 7.461 1.884 1.00 1.22 H new ATOM 0 HB2 ALA A 87 -10.780 6.102 0.764 1.00 1.22 H new ATOM 0 HB3 ALA A 87 -9.583 6.451 2.034 1.00 1.22 H new ATOM 1206 N ARG A 88 -7.701 8.770 1.629 1.00 12.55 N ATOM 1207 CA ARG A 88 -6.991 9.798 2.382 1.00 63.10 C ATOM 1208 C ARG A 88 -6.704 11.014 1.506 1.00 22.23 C ATOM 1209 O ARG A 88 -7.111 12.130 1.825 1.00 53.01 O ATOM 1210 CB ARG A 88 -5.682 9.237 2.940 1.00 35.45 C ATOM 1211 CG ARG A 88 -5.812 7.833 3.507 1.00 43.15 C ATOM 1212 CD ARG A 88 -5.277 7.751 4.927 1.00 22.13 C ATOM 1213 NE ARG A 88 -5.832 8.797 5.782 1.00 0.11 N ATOM 1214 CZ ARG A 88 -7.087 8.800 6.217 1.00 14.52 C ATOM 1215 NH1 ARG A 88 -7.912 7.819 5.880 1.00 11.40 N ATOM 1216 NH2 ARG A 88 -7.518 9.787 6.993 1.00 53.13 N ATOM 0 H ARG A 88 -7.183 7.899 1.511 1.00 12.55 H new ATOM 0 HA ARG A 88 -7.627 10.111 3.210 1.00 63.10 H new ATOM 0 HB2 ARG A 88 -4.933 9.232 2.149 1.00 35.45 H new ATOM 0 HB3 ARG A 88 -5.316 9.903 3.722 1.00 35.45 H new ATOM 0 HG2 ARG A 88 -6.859 7.530 3.494 1.00 43.15 H new ATOM 0 HG3 ARG A 88 -5.270 7.132 2.872 1.00 43.15 H new ATOM 0 HD2 ARG A 88 -5.515 6.774 5.348 1.00 22.13 H new ATOM 0 HD3 ARG A 88 -4.190 7.835 4.910 1.00 22.13 H new ATOM 0 HE ARG A 88 -5.223 9.567 6.060 1.00 0.11 H new ATOM 0 HH11 ARG A 88 -7.584 7.058 5.285 1.00 11.40 H new ATOM 0 HH12 ARG A 88 -8.875 7.825 6.216 1.00 11.40 H new ATOM 0 HH21 ARG A 88 -6.885 10.543 7.255 1.00 53.13 H new ATOM 0 HH22 ARG A 88 -8.482 9.789 7.327 1.00 53.13 H new ATOM 1227 N GLU A 89 -5.999 10.788 0.402 1.00 41.40 N ATOM 1228 CA GLU A 89 -5.656 11.866 -0.518 1.00 45.44 C ATOM 1229 C GLU A 89 -6.914 12.508 -1.097 1.00 31.51 C ATOM 1230 O GLU A 89 -6.936 13.704 -1.387 1.00 61.24 O ATOM 1231 CB GLU A 89 -4.773 11.338 -1.651 1.00 42.14 C ATOM 1232 CG GLU A 89 -5.374 10.155 -2.391 1.00 75.42 C ATOM 1233 CD GLU A 89 -6.380 10.575 -3.445 1.00 32.41 C ATOM 1234 OE1 GLU A 89 -6.446 11.784 -3.751 1.00 62.53 O ATOM 1235 OE2 GLU A 89 -7.099 9.696 -3.964 1.00 31.15 O ATOM 0 H GLU A 89 -5.655 9.869 0.123 1.00 41.40 H new ATOM 0 HA GLU A 89 -5.105 12.624 0.040 1.00 45.44 H new ATOM 0 HB2 GLU A 89 -4.588 12.144 -2.361 1.00 42.14 H new ATOM 0 HB3 GLU A 89 -3.806 11.046 -1.241 1.00 42.14 H new ATOM 0 HG2 GLU A 89 -4.575 9.584 -2.864 1.00 75.42 H new ATOM 0 HG3 GLU A 89 -5.859 9.492 -1.675 1.00 75.42 H new ATOM 1240 N ARG A 90 -7.959 11.704 -1.261 1.00 64.45 N ATOM 1241 CA ARG A 90 -9.221 12.192 -1.807 1.00 21.23 C ATOM 1242 C ARG A 90 -9.834 13.251 -0.895 1.00 21.25 C ATOM 1243 O ARG A 90 -10.606 14.097 -1.343 1.00 74.21 O ATOM 1244 CB ARG A 90 -10.203 11.034 -1.993 1.00 4.31 C ATOM 1245 CG ARG A 90 -11.601 11.479 -2.390 1.00 21.34 C ATOM 1246 CD ARG A 90 -12.571 10.309 -2.415 1.00 51.22 C ATOM 1247 NE ARG A 90 -13.917 10.704 -2.007 1.00 14.54 N ATOM 1248 CZ ARG A 90 -14.940 9.862 -1.934 1.00 42.33 C ATOM 1249 NH1 ARG A 90 -14.774 8.582 -2.241 1.00 4.42 N ATOM 1250 NH2 ARG A 90 -16.135 10.298 -1.555 1.00 35.50 N ATOM 0 H ARG A 90 -7.958 10.712 -1.024 1.00 64.45 H new ATOM 0 HA ARG A 90 -9.017 12.646 -2.777 1.00 21.23 H new ATOM 0 HB2 ARG A 90 -9.815 10.359 -2.756 1.00 4.31 H new ATOM 0 HB3 ARG A 90 -10.262 10.466 -1.065 1.00 4.31 H new ATOM 0 HG2 ARG A 90 -11.957 12.233 -1.688 1.00 21.34 H new ATOM 0 HG3 ARG A 90 -11.569 11.948 -3.373 1.00 21.34 H new ATOM 0 HD2 ARG A 90 -12.606 9.889 -3.420 1.00 51.22 H new ATOM 0 HD3 ARG A 90 -12.208 9.523 -1.753 1.00 51.22 H new ATOM 0 HE ARG A 90 -14.079 11.681 -1.765 1.00 14.54 H new ATOM 0 HH11 ARG A 90 -13.858 8.243 -2.534 1.00 4.42 H new ATOM 0 HH12 ARG A 90 -15.562 7.937 -2.184 1.00 4.42 H new ATOM 0 HH21 ARG A 90 -16.268 11.281 -1.319 1.00 35.50 H new ATOM 0 HH22 ARG A 90 -16.920 9.650 -1.499 1.00 35.50 H new ATOM 1261 N GLU A 91 -9.482 13.197 0.386 1.00 44.02 N ATOM 1262 CA GLU A 91 -9.998 14.150 1.360 1.00 52.42 C ATOM 1263 C GLU A 91 -8.957 15.219 1.681 1.00 10.41 C ATOM 1264 O GLU A 91 -9.295 16.316 2.126 1.00 65.50 O ATOM 1265 CB GLU A 91 -10.415 13.428 2.643 1.00 41.54 C ATOM 1266 CG GLU A 91 -11.921 13.288 2.801 1.00 4.15 C ATOM 1267 CD GLU A 91 -12.304 12.231 3.818 1.00 31.55 C ATOM 1268 OE1 GLU A 91 -11.951 11.051 3.611 1.00 21.41 O ATOM 1269 OE2 GLU A 91 -12.958 12.583 4.822 1.00 50.02 O ATOM 0 H GLU A 91 -8.842 12.503 0.773 1.00 44.02 H new ATOM 0 HA GLU A 91 -10.871 14.636 0.925 1.00 52.42 H new ATOM 0 HB2 GLU A 91 -9.963 12.436 2.655 1.00 41.54 H new ATOM 0 HB3 GLU A 91 -10.017 13.970 3.501 1.00 41.54 H new ATOM 0 HG2 GLU A 91 -12.342 14.247 3.103 1.00 4.15 H new ATOM 0 HG3 GLU A 91 -12.362 13.036 1.837 1.00 4.15 H new ATOM 1274 N ALA A 92 -7.691 14.890 1.452 1.00 5.13 N ATOM 1275 CA ALA A 92 -6.600 15.820 1.715 1.00 4.53 C ATOM 1276 C ALA A 92 -6.858 17.169 1.052 1.00 15.30 C ATOM 1277 O ALA A 92 -7.661 17.290 0.128 1.00 41.41 O ATOM 1278 CB ALA A 92 -5.280 15.237 1.231 1.00 41.40 C ATOM 0 H ALA A 92 -7.395 13.986 1.085 1.00 5.13 H new ATOM 0 HA ALA A 92 -6.542 15.978 2.792 1.00 4.53 H new ATOM 0 HB1 ALA A 92 -4.474 15.943 1.434 1.00 41.40 H new ATOM 0 HB2 ALA A 92 -5.083 14.301 1.753 1.00 41.40 H new ATOM 0 HB3 ALA A 92 -5.336 15.050 0.159 1.00 41.40 H new ATOM 1284 N PRO A 93 -6.163 18.210 1.536 1.00 62.14 N ATOM 1285 CA PRO A 93 -6.300 19.569 1.006 1.00 50.23 C ATOM 1286 C PRO A 93 -5.718 19.706 -0.397 1.00 30.42 C ATOM 1287 O PRO A 93 -4.536 19.438 -0.618 1.00 11.30 O ATOM 1288 CB PRO A 93 -5.506 20.421 2.000 1.00 64.45 C ATOM 1289 CG PRO A 93 -4.514 19.481 2.593 1.00 13.24 C ATOM 1290 CD PRO A 93 -5.188 18.138 2.638 1.00 51.24 C ATOM 0 HA PRO A 93 -7.345 19.865 0.910 1.00 50.23 H new ATOM 0 HB2 PRO A 93 -5.013 21.255 1.501 1.00 64.45 H new ATOM 0 HB3 PRO A 93 -6.156 20.846 2.765 1.00 64.45 H new ATOM 0 HG2 PRO A 93 -3.606 19.442 1.991 1.00 13.24 H new ATOM 0 HG3 PRO A 93 -4.220 19.803 3.592 1.00 13.24 H new ATOM 0 HD2 PRO A 93 -4.476 17.326 2.492 1.00 51.24 H new ATOM 0 HD3 PRO A 93 -5.677 17.965 3.597 1.00 51.24 H new ATOM 1295 N HIS A 94 -6.554 20.125 -1.341 1.00 2.40 N ATOM 1296 CA HIS A 94 -6.121 20.299 -2.724 1.00 22.24 C ATOM 1297 C HIS A 94 -6.877 21.444 -3.390 1.00 44.05 C ATOM 1298 O HIS A 94 -7.594 22.196 -2.730 1.00 32.53 O ATOM 1299 CB HIS A 94 -6.330 19.006 -3.512 1.00 44.02 C ATOM 1300 CG HIS A 94 -7.772 18.668 -3.736 1.00 45.10 C ATOM 1301 ND1 HIS A 94 -8.645 18.378 -2.710 1.00 50.22 N ATOM 1302 CD2 HIS A 94 -8.492 18.577 -4.880 1.00 34.13 C ATOM 1303 CE1 HIS A 94 -9.841 18.121 -3.211 1.00 25.03 C ATOM 1304 NE2 HIS A 94 -9.774 18.236 -4.526 1.00 75.23 N ATOM 0 H HIS A 94 -7.535 20.350 -1.175 1.00 2.40 H new ATOM 0 HA HIS A 94 -5.059 20.544 -2.719 1.00 22.24 H new ATOM 0 HB2 HIS A 94 -5.832 19.094 -4.477 1.00 44.02 H new ATOM 0 HB3 HIS A 94 -5.851 18.184 -2.980 1.00 44.02 H new ATOM 0 HD1 HIS A 94 -8.406 18.364 -1.719 1.00 50.22 H new ATOM 0 HD2 HIS A 94 -8.126 18.742 -5.883 1.00 34.13 H new ATOM 0 HE1 HIS A 94 -10.722 17.861 -2.643 1.00 25.03 H new ATOM 1311 N LEU A 95 -6.712 21.569 -4.703 1.00 14.32 N ATOM 1312 CA LEU A 95 -7.379 22.624 -5.460 1.00 72.23 C ATOM 1313 C LEU A 95 -8.886 22.591 -5.226 1.00 44.52 C ATOM 1314 O LEU A 95 -9.422 21.612 -4.709 1.00 63.13 O ATOM 1315 CB LEU A 95 -7.080 22.474 -6.952 1.00 24.21 C ATOM 1316 CG LEU A 95 -6.221 23.574 -7.578 1.00 61.13 C ATOM 1317 CD1 LEU A 95 -5.982 23.290 -9.053 1.00 11.33 C ATOM 1318 CD2 LEU A 95 -6.880 24.933 -7.394 1.00 34.04 C ATOM 0 H LEU A 95 -6.123 20.954 -5.265 1.00 14.32 H new ATOM 0 HA LEU A 95 -6.997 23.584 -5.114 1.00 72.23 H new ATOM 0 HB2 LEU A 95 -6.581 21.518 -7.108 1.00 24.21 H new ATOM 0 HB3 LEU A 95 -8.027 22.430 -7.489 1.00 24.21 H new ATOM 0 HG LEU A 95 -5.256 23.589 -7.071 1.00 61.13 H new ATOM 0 HD11 LEU A 95 -5.369 24.083 -9.482 1.00 11.33 H new ATOM 0 HD12 LEU A 95 -5.467 22.335 -9.161 1.00 11.33 H new ATOM 0 HD13 LEU A 95 -6.938 23.248 -9.575 1.00 11.33 H new ATOM 0 HD21 LEU A 95 -6.256 25.704 -7.845 1.00 34.04 H new ATOM 0 HD22 LEU A 95 -7.858 24.931 -7.875 1.00 34.04 H new ATOM 0 HD23 LEU A 95 -6.999 25.139 -6.330 1.00 34.04 H new ATOM 1329 N GLU A 96 -9.563 23.668 -5.613 1.00 15.01 N ATOM 1330 CA GLU A 96 -11.008 23.761 -5.446 1.00 44.43 C ATOM 1331 C GLU A 96 -11.705 22.539 -6.038 1.00 25.21 C ATOM 1332 O GLU A 96 -11.505 22.202 -7.206 1.00 31.13 O ATOM 1333 CB GLU A 96 -11.540 25.035 -6.109 1.00 24.23 C ATOM 1334 CG GLU A 96 -12.195 25.999 -5.135 1.00 5.25 C ATOM 1335 CD GLU A 96 -11.230 26.512 -4.084 1.00 33.31 C ATOM 1336 OE1 GLU A 96 -10.005 26.429 -4.313 1.00 13.34 O ATOM 1337 OE2 GLU A 96 -11.700 26.995 -3.033 1.00 14.02 O ATOM 0 H GLU A 96 -9.134 24.487 -6.044 1.00 15.01 H new ATOM 0 HA GLU A 96 -11.222 23.798 -4.378 1.00 44.43 H new ATOM 0 HB2 GLU A 96 -10.718 25.543 -6.613 1.00 24.23 H new ATOM 0 HB3 GLU A 96 -12.263 24.760 -6.877 1.00 24.23 H new ATOM 0 HG2 GLU A 96 -12.607 26.843 -5.687 1.00 5.25 H new ATOM 0 HG3 GLU A 96 -13.031 25.501 -4.643 1.00 5.25 H new ATOM 1342 N HIS A 97 -12.522 21.879 -5.225 1.00 71.21 N ATOM 1343 CA HIS A 97 -13.247 20.693 -5.666 1.00 41.42 C ATOM 1344 C HIS A 97 -14.232 20.229 -4.598 1.00 41.34 C ATOM 1345 O HIS A 97 -15.436 20.141 -4.844 1.00 64.30 O ATOM 1346 CB HIS A 97 -12.271 19.566 -6.000 1.00 62.11 C ATOM 1347 CG HIS A 97 -12.530 18.920 -7.327 1.00 55.25 C ATOM 1348 ND1 HIS A 97 -12.879 17.593 -7.463 1.00 33.12 N ATOM 1349 CD2 HIS A 97 -12.494 19.428 -8.581 1.00 51.14 C ATOM 1350 CE1 HIS A 97 -13.043 17.312 -8.742 1.00 50.24 C ATOM 1351 NE2 HIS A 97 -12.816 18.408 -9.442 1.00 0.43 N ATOM 0 H HIS A 97 -12.699 22.145 -4.256 1.00 71.21 H new ATOM 0 HA HIS A 97 -13.808 20.955 -6.563 1.00 41.42 H new ATOM 0 HB2 HIS A 97 -11.255 19.962 -5.990 1.00 62.11 H new ATOM 0 HB3 HIS A 97 -12.325 18.807 -5.219 1.00 62.11 H new ATOM 0 HD2 HIS A 97 -12.256 20.446 -8.854 1.00 51.14 H new ATOM 0 HE1 HIS A 97 -13.316 16.349 -9.147 1.00 50.24 H new ATOM 0 HE2 HIS A 97 -12.871 18.485 -10.458 1.00 0.43 H new ATOM 1358 N HIS A 98 -13.714 19.934 -3.410 1.00 34.10 N ATOM 1359 CA HIS A 98 -14.548 19.479 -2.303 1.00 21.22 C ATOM 1360 C HIS A 98 -14.006 19.986 -0.970 1.00 43.24 C ATOM 1361 O HIS A 98 -13.025 20.729 -0.929 1.00 51.32 O ATOM 1362 CB HIS A 98 -14.624 17.952 -2.289 1.00 12.04 C ATOM 1363 CG HIS A 98 -16.008 17.419 -2.500 1.00 31.33 C ATOM 1364 ND1 HIS A 98 -16.719 17.614 -3.665 1.00 61.41 N ATOM 1365 CD2 HIS A 98 -16.811 16.694 -1.687 1.00 23.21 C ATOM 1366 CE1 HIS A 98 -17.900 17.032 -3.560 1.00 71.20 C ATOM 1367 NE2 HIS A 98 -17.981 16.466 -2.369 1.00 71.22 N ATOM 0 H HIS A 98 -12.721 20.002 -3.189 1.00 34.10 H new ATOM 0 HA HIS A 98 -15.550 19.884 -2.445 1.00 21.22 H new ATOM 0 HB2 HIS A 98 -13.969 17.557 -3.065 1.00 12.04 H new ATOM 0 HB3 HIS A 98 -14.244 17.586 -1.335 1.00 12.04 H new ATOM 0 HD1 HIS A 98 -16.385 18.128 -4.481 1.00 61.41 H new ATOM 0 HD2 HIS A 98 -16.576 16.357 -0.688 1.00 23.21 H new ATOM 0 HE1 HIS A 98 -18.669 17.021 -4.319 1.00 71.20 H new ATOM 1374 N HIS A 99 -14.651 19.580 0.119 1.00 63.44 N ATOM 1375 CA HIS A 99 -14.233 19.993 1.453 1.00 52.04 C ATOM 1376 C HIS A 99 -14.755 19.023 2.510 1.00 22.24 C ATOM 1377 O HIS A 99 -15.887 18.547 2.426 1.00 71.03 O ATOM 1378 CB HIS A 99 -14.733 21.407 1.752 1.00 11.05 C ATOM 1379 CG HIS A 99 -16.222 21.544 1.677 1.00 1.44 C ATOM 1380 ND1 HIS A 99 -16.892 21.845 0.510 1.00 70.54 N ATOM 1381 CD2 HIS A 99 -17.173 21.421 2.633 1.00 22.44 C ATOM 1382 CE1 HIS A 99 -18.190 21.901 0.752 1.00 45.12 C ATOM 1383 NE2 HIS A 99 -18.386 21.646 2.032 1.00 34.31 N ATOM 0 H HIS A 99 -15.465 18.966 0.103 1.00 63.44 H new ATOM 0 HA HIS A 99 -13.143 19.986 1.484 1.00 52.04 H new ATOM 0 HB2 HIS A 99 -14.399 21.698 2.748 1.00 11.05 H new ATOM 0 HB3 HIS A 99 -14.277 22.102 1.047 1.00 11.05 H new ATOM 0 HD2 HIS A 99 -17.008 21.189 3.675 1.00 22.44 H new ATOM 0 HE1 HIS A 99 -18.959 22.118 0.026 1.00 45.12 H new ATOM 0 HE2 HIS A 99 -19.292 21.620 2.499 1.00 34.31 H new ATOM 1390 N HIS A 100 -13.921 18.735 3.504 1.00 41.12 N ATOM 1391 CA HIS A 100 -14.297 17.821 4.577 1.00 51.12 C ATOM 1392 C HIS A 100 -13.168 17.682 5.594 1.00 54.23 C ATOM 1393 O HIS A 100 -12.015 17.453 5.229 1.00 62.23 O ATOM 1394 CB HIS A 100 -14.656 16.450 4.006 1.00 64.34 C ATOM 1395 CG HIS A 100 -15.988 15.940 4.463 1.00 44.41 C ATOM 1396 ND1 HIS A 100 -16.135 15.019 5.478 1.00 21.14 N ATOM 1397 CD2 HIS A 100 -17.240 16.230 4.037 1.00 51.01 C ATOM 1398 CE1 HIS A 100 -17.417 14.763 5.657 1.00 45.24 C ATOM 1399 NE2 HIS A 100 -18.111 15.485 4.795 1.00 2.11 N ATOM 0 H HIS A 100 -12.981 19.121 3.589 1.00 41.12 H new ATOM 0 HA HIS A 100 -15.169 18.235 5.083 1.00 51.12 H new ATOM 0 HB2 HIS A 100 -14.652 16.507 2.917 1.00 64.34 H new ATOM 0 HB3 HIS A 100 -13.885 15.734 4.291 1.00 64.34 H new ATOM 0 HD2 HIS A 100 -17.505 16.919 3.248 1.00 51.01 H new ATOM 0 HE1 HIS A 100 -17.829 14.079 6.385 1.00 45.24 H new ATOM 0 HE2 HIS A 100 -19.127 15.489 4.707 1.00 2.11 H new ATOM 1406 N HIS A 101 -13.507 17.825 6.871 1.00 75.44 N ATOM 1407 CA HIS A 101 -12.522 17.714 7.941 1.00 13.13 C ATOM 1408 C HIS A 101 -12.379 16.267 8.403 1.00 44.33 C ATOM 1409 O HIS A 101 -11.315 15.663 8.261 1.00 72.34 O ATOM 1410 CB HIS A 101 -12.919 18.602 9.122 1.00 64.51 C ATOM 1411 CG HIS A 101 -11.749 19.152 9.877 1.00 5.31 C ATOM 1412 ND1 HIS A 101 -11.199 18.526 10.975 1.00 54.41 N ATOM 1413 CD2 HIS A 101 -11.021 20.277 9.685 1.00 41.40 C ATOM 1414 CE1 HIS A 101 -10.186 19.243 11.428 1.00 51.31 C ATOM 1415 NE2 HIS A 101 -10.056 20.311 10.661 1.00 74.13 N ATOM 0 H HIS A 101 -14.456 18.018 7.190 1.00 75.44 H new ATOM 0 HA HIS A 101 -11.560 18.048 7.551 1.00 13.13 H new ATOM 0 HB2 HIS A 101 -13.526 19.430 8.756 1.00 64.51 H new ATOM 0 HB3 HIS A 101 -13.544 18.026 9.805 1.00 64.51 H new ATOM 0 HD2 HIS A 101 -11.171 21.012 8.908 1.00 41.40 H new ATOM 0 HE1 HIS A 101 -9.569 18.998 12.280 1.00 51.31 H new ATOM 0 HE2 HIS A 101 -9.353 21.042 10.775 1.00 74.13 H new ATOM 1422 N HIS A 102 -13.457 15.718 8.953 1.00 23.55 N ATOM 1423 CA HIS A 102 -13.450 14.341 9.435 1.00 52.25 C ATOM 1424 C HIS A 102 -14.857 13.749 9.406 1.00 10.25 C ATOM 1425 O HIS A 102 -15.814 14.417 9.013 1.00 2.41 O ATOM 1426 CB HIS A 102 -12.888 14.278 10.856 1.00 4.15 C ATOM 1427 CG HIS A 102 -12.374 12.924 11.237 1.00 44.23 C ATOM 1428 ND1 HIS A 102 -11.102 12.710 11.722 1.00 21.24 N ATOM 1429 CD2 HIS A 102 -12.971 11.709 11.204 1.00 43.13 C ATOM 1430 CE1 HIS A 102 -10.937 11.423 11.969 1.00 30.12 C ATOM 1431 NE2 HIS A 102 -12.057 10.794 11.663 1.00 63.40 N ATOM 0 H HIS A 102 -14.345 16.204 9.076 1.00 23.55 H new ATOM 0 HA HIS A 102 -12.813 13.754 8.774 1.00 52.25 H new ATOM 0 HB2 HIS A 102 -12.081 15.004 10.951 1.00 4.15 H new ATOM 0 HB3 HIS A 102 -13.667 14.573 11.559 1.00 4.15 H new ATOM 0 HD2 HIS A 102 -13.979 11.499 10.877 1.00 43.13 H new ATOM 0 HE1 HIS A 102 -10.039 10.964 12.355 1.00 30.12 H new ATOM 0 HE2 HIS A 102 -12.217 9.791 11.753 1.00 63.40 H new TER 1438 HIS A 102