USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 753 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 29 HIS : no HD1:sc= -4.78 K(o=-4.7,f=-14!) USER MOD Set 1.2: A 49 LYS NZ :NH3+ -142:sc= 0.0526 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.133 (180deg=-0.751) USER MOD Single : A 4 THR OG1 : rot 81:sc= 1.87 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.15) USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= -0.505 (180deg=-0.625) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -3.05! C(o=-3!,f=-6!) USER MOD Single : A 55 ASN : amide:sc= -1.79 K(o=-1.8,f=-3.7!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0463 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.5) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 157:sc= -0.791 (180deg=-0.796) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 89 LYS NZ :NH3+ -161:sc= 0.443 (180deg=0.297) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.777 -19.368 -7.018 1.00 0.00 N ATOM 2 CA MET A 1 -2.514 -19.673 -8.452 1.00 0.00 C ATOM 3 C MET A 1 -1.277 -18.907 -8.905 1.00 0.00 C ATOM 4 O MET A 1 -1.366 -17.990 -9.722 1.00 0.00 O ATOM 5 CB MET A 1 -3.727 -19.249 -9.290 1.00 0.00 C ATOM 6 CG MET A 1 -4.963 -20.049 -8.863 1.00 0.00 C ATOM 7 SD MET A 1 -4.754 -21.796 -9.322 1.00 0.00 S ATOM 8 CE MET A 1 -6.388 -22.084 -10.054 1.00 0.00 C ATOM 0 H1 MET A 1 -3.380 -20.111 -6.610 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.876 -19.330 -6.500 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.259 -18.450 -6.941 1.00 0.00 H new ATOM 0 HA MET A 1 -2.345 -20.742 -8.582 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.912 -18.182 -9.163 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.524 -19.414 -10.348 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.110 -19.961 -7.787 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.854 -19.642 -9.341 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.455 -23.115 -10.400 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.159 -21.901 -9.306 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.533 -21.408 -10.897 1.00 0.00 H new ATOM 20 N GLU A 2 -0.122 -19.286 -8.362 1.00 0.00 N ATOM 21 CA GLU A 2 1.135 -18.624 -8.707 1.00 0.00 C ATOM 22 C GLU A 2 0.997 -17.102 -8.576 1.00 0.00 C ATOM 23 O GLU A 2 1.093 -16.378 -9.567 1.00 0.00 O ATOM 24 CB GLU A 2 1.538 -18.991 -10.145 1.00 0.00 C ATOM 25 CG GLU A 2 2.996 -18.584 -10.398 1.00 0.00 C ATOM 26 CD GLU A 2 3.380 -18.875 -11.846 1.00 0.00 C ATOM 27 OE1 GLU A 2 2.806 -19.786 -12.419 1.00 0.00 O ATOM 28 OE2 GLU A 2 4.246 -18.184 -12.358 1.00 0.00 O ATOM 0 H GLU A 2 -0.030 -20.044 -7.685 1.00 0.00 H new ATOM 0 HA GLU A 2 1.908 -18.962 -8.017 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.418 -20.063 -10.304 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.882 -18.488 -10.856 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.127 -17.523 -10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.656 -19.129 -9.723 1.00 0.00 H new ATOM 35 N PRO A 3 0.764 -16.605 -7.382 1.00 0.00 N ATOM 36 CA PRO A 3 0.603 -15.138 -7.143 1.00 0.00 C ATOM 37 C PRO A 3 1.941 -14.401 -7.195 1.00 0.00 C ATOM 38 O PRO A 3 3.003 -15.020 -7.231 1.00 0.00 O ATOM 39 CB PRO A 3 -0.042 -15.070 -5.746 1.00 0.00 C ATOM 40 CG PRO A 3 0.469 -16.291 -5.041 1.00 0.00 C ATOM 41 CD PRO A 3 0.628 -17.376 -6.125 1.00 0.00 C ATOM 0 HA PRO A 3 -0.002 -14.650 -7.907 1.00 0.00 H new ATOM 0 HB2 PRO A 3 0.243 -14.159 -5.220 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.130 -15.074 -5.810 1.00 0.00 H new ATOM 0 HG2 PRO A 3 1.421 -16.088 -4.550 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -0.227 -16.613 -4.266 1.00 0.00 H new ATOM 0 HD2 PRO A 3 1.503 -17.999 -5.942 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.236 -18.040 -6.155 1.00 0.00 H new ATOM 49 N THR A 4 1.872 -13.073 -7.209 1.00 0.00 N ATOM 50 CA THR A 4 3.075 -12.245 -7.265 1.00 0.00 C ATOM 51 C THR A 4 3.725 -12.163 -5.887 1.00 0.00 C ATOM 52 O THR A 4 3.473 -11.237 -5.117 1.00 0.00 O ATOM 53 CB THR A 4 2.704 -10.836 -7.751 1.00 0.00 C ATOM 54 OG1 THR A 4 2.065 -10.123 -6.703 1.00 0.00 O ATOM 55 CG2 THR A 4 1.753 -10.943 -8.944 1.00 0.00 C ATOM 0 H THR A 4 0.998 -12.547 -7.182 1.00 0.00 H new ATOM 0 HA THR A 4 3.785 -12.695 -7.960 1.00 0.00 H new ATOM 0 HB THR A 4 3.609 -10.307 -8.050 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.742 -9.762 -6.093 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.489 -9.944 -9.290 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.242 -11.489 -9.751 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.849 -11.473 -8.643 1.00 0.00 H new ATOM 63 N ALA A 5 4.567 -13.146 -5.582 1.00 0.00 N ATOM 64 CA ALA A 5 5.251 -13.185 -4.293 1.00 0.00 C ATOM 65 C ALA A 5 6.378 -12.161 -4.257 1.00 0.00 C ATOM 66 O ALA A 5 7.458 -12.393 -4.801 1.00 0.00 O ATOM 67 CB ALA A 5 5.823 -14.582 -4.047 1.00 0.00 C ATOM 0 H ALA A 5 4.791 -13.922 -6.205 1.00 0.00 H new ATOM 0 HA ALA A 5 4.529 -12.945 -3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.332 -14.602 -3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.013 -15.312 -4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.532 -14.829 -4.837 1.00 0.00 H new ATOM 73 N PHE A 6 6.119 -11.026 -3.612 1.00 0.00 N ATOM 74 CA PHE A 6 7.121 -9.965 -3.507 1.00 0.00 C ATOM 75 C PHE A 6 8.131 -10.293 -2.413 1.00 0.00 C ATOM 76 O PHE A 6 7.768 -10.793 -1.349 1.00 0.00 O ATOM 77 CB PHE A 6 6.438 -8.634 -3.189 1.00 0.00 C ATOM 78 CG PHE A 6 5.415 -8.317 -4.264 1.00 0.00 C ATOM 79 CD1 PHE A 6 4.040 -8.368 -3.985 1.00 0.00 C ATOM 80 CD2 PHE A 6 5.850 -7.965 -5.549 1.00 0.00 C ATOM 81 CE1 PHE A 6 3.110 -8.069 -4.987 1.00 0.00 C ATOM 82 CE2 PHE A 6 4.917 -7.668 -6.549 1.00 0.00 C ATOM 83 CZ PHE A 6 3.547 -7.720 -6.267 1.00 0.00 C ATOM 0 H PHE A 6 5.231 -10.817 -3.157 1.00 0.00 H new ATOM 0 HA PHE A 6 7.644 -9.887 -4.460 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.952 -8.687 -2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 6 7.180 -7.837 -3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.700 -8.638 -2.996 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.907 -7.923 -5.768 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.053 -8.108 -4.770 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.254 -7.399 -7.539 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.828 -7.490 -7.039 1.00 0.00 H new ATOM 93 N SER A 7 9.405 -10.009 -2.684 1.00 0.00 N ATOM 94 CA SER A 7 10.482 -10.274 -1.722 1.00 0.00 C ATOM 95 C SER A 7 10.760 -9.039 -0.870 1.00 0.00 C ATOM 96 O SER A 7 10.061 -8.034 -0.970 1.00 0.00 O ATOM 97 CB SER A 7 11.756 -10.666 -2.470 1.00 0.00 C ATOM 98 OG SER A 7 11.519 -11.859 -3.207 1.00 0.00 O ATOM 0 H SER A 7 9.720 -9.595 -3.562 1.00 0.00 H new ATOM 0 HA SER A 7 10.168 -11.089 -1.070 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.058 -9.863 -3.143 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.574 -10.816 -1.765 1.00 0.00 H new ATOM 0 HG SER A 7 12.333 -12.113 -3.690 1.00 0.00 H new ATOM 104 N GLY A 8 11.785 -9.123 -0.028 1.00 0.00 N ATOM 105 CA GLY A 8 12.148 -8.003 0.833 1.00 0.00 C ATOM 106 C GLY A 8 12.703 -6.835 0.019 1.00 0.00 C ATOM 107 O GLY A 8 12.431 -5.671 0.317 1.00 0.00 O ATOM 0 H GLY A 8 12.375 -9.948 0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.273 -7.675 1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.891 -8.327 1.561 1.00 0.00 H new ATOM 111 N SER A 9 13.490 -7.156 -1.005 1.00 0.00 N ATOM 112 CA SER A 9 14.095 -6.134 -1.857 1.00 0.00 C ATOM 113 C SER A 9 13.044 -5.471 -2.737 1.00 0.00 C ATOM 114 O SER A 9 13.270 -4.391 -3.282 1.00 0.00 O ATOM 115 CB SER A 9 15.170 -6.765 -2.740 1.00 0.00 C ATOM 116 OG SER A 9 16.085 -7.483 -1.922 1.00 0.00 O ATOM 0 H SER A 9 13.724 -8.114 -1.265 1.00 0.00 H new ATOM 0 HA SER A 9 14.544 -5.376 -1.215 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.712 -7.434 -3.468 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.695 -5.993 -3.302 1.00 0.00 H new ATOM 0 HG SER A 9 16.776 -7.891 -2.485 1.00 0.00 H new ATOM 122 N ASP A 10 11.891 -6.117 -2.865 1.00 0.00 N ATOM 123 CA ASP A 10 10.813 -5.568 -3.676 1.00 0.00 C ATOM 124 C ASP A 10 10.285 -4.301 -3.029 1.00 0.00 C ATOM 125 O ASP A 10 10.205 -4.219 -1.804 1.00 0.00 O ATOM 126 CB ASP A 10 9.674 -6.577 -3.794 1.00 0.00 C ATOM 127 CG ASP A 10 8.574 -6.015 -4.686 1.00 0.00 C ATOM 128 OD1 ASP A 10 7.685 -5.367 -4.158 1.00 0.00 O ATOM 129 OD2 ASP A 10 8.635 -6.239 -5.879 1.00 0.00 O ATOM 0 H ASP A 10 11.680 -7.012 -2.423 1.00 0.00 H new ATOM 0 HA ASP A 10 11.201 -5.345 -4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.047 -7.513 -4.208 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.273 -6.803 -2.806 1.00 0.00 H new ATOM 134 N VAL A 11 9.928 -3.311 -3.853 1.00 0.00 N ATOM 135 CA VAL A 11 9.403 -2.039 -3.344 1.00 0.00 C ATOM 136 C VAL A 11 8.088 -1.673 -4.071 1.00 0.00 C ATOM 137 O VAL A 11 8.086 -1.520 -5.292 1.00 0.00 O ATOM 138 CB VAL A 11 10.458 -0.921 -3.544 1.00 0.00 C ATOM 139 CG1 VAL A 11 11.125 -1.045 -4.922 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.794 0.469 -3.414 1.00 0.00 C ATOM 0 H VAL A 11 9.992 -3.364 -4.870 1.00 0.00 H new ATOM 0 HA VAL A 11 9.191 -2.141 -2.280 1.00 0.00 H new ATOM 0 HB VAL A 11 11.220 -1.031 -2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.862 -0.251 -5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.619 -2.014 -5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.368 -0.959 -5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.545 1.246 -3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.016 0.573 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.351 0.570 -2.423 1.00 0.00 H new ATOM 150 N PRO A 12 6.973 -1.513 -3.371 1.00 0.00 N ATOM 151 CA PRO A 12 5.686 -1.147 -4.032 1.00 0.00 C ATOM 152 C PRO A 12 5.644 0.341 -4.392 1.00 0.00 C ATOM 153 O PRO A 12 6.245 1.170 -3.710 1.00 0.00 O ATOM 154 CB PRO A 12 4.628 -1.511 -2.970 1.00 0.00 C ATOM 155 CG PRO A 12 5.323 -1.286 -1.662 1.00 0.00 C ATOM 156 CD PRO A 12 6.797 -1.653 -1.901 1.00 0.00 C ATOM 0 HA PRO A 12 5.529 -1.665 -4.978 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.741 -0.885 -3.062 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.300 -2.545 -3.073 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.226 -0.249 -1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.888 -1.905 -0.877 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.467 -0.989 -1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.014 -2.668 -1.569 1.00 0.00 H new ATOM 164 N ARG A 13 4.915 0.669 -5.460 1.00 0.00 N ATOM 165 CA ARG A 13 4.772 2.060 -5.905 1.00 0.00 C ATOM 166 C ARG A 13 3.417 2.247 -6.569 1.00 0.00 C ATOM 167 O ARG A 13 2.956 1.382 -7.310 1.00 0.00 O ATOM 168 CB ARG A 13 5.890 2.424 -6.890 1.00 0.00 C ATOM 169 CG ARG A 13 5.773 3.898 -7.293 1.00 0.00 C ATOM 170 CD ARG A 13 6.896 4.253 -8.263 1.00 0.00 C ATOM 171 NE ARG A 13 6.774 5.649 -8.671 1.00 0.00 N ATOM 172 CZ ARG A 13 7.185 6.639 -7.883 1.00 0.00 C ATOM 173 NH1 ARG A 13 7.053 7.876 -8.271 1.00 0.00 N ATOM 174 NH2 ARG A 13 7.715 6.371 -6.721 1.00 0.00 N ATOM 0 H ARG A 13 4.414 -0.009 -6.034 1.00 0.00 H new ATOM 0 HA ARG A 13 4.844 2.717 -5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.863 2.239 -6.434 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.827 1.790 -7.775 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.805 4.083 -7.758 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.828 4.533 -6.409 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.864 4.086 -7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.852 3.604 -9.138 1.00 0.00 H new ATOM 0 HE ARG A 13 6.365 5.870 -9.579 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.635 8.084 -9.178 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.368 8.636 -7.668 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.814 5.402 -6.417 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.030 7.130 -6.117 1.00 0.00 H new ATOM 188 N LEU A 14 2.783 3.382 -6.292 1.00 0.00 N ATOM 189 CA LEU A 14 1.476 3.680 -6.865 1.00 0.00 C ATOM 190 C LEU A 14 1.596 3.986 -8.371 1.00 0.00 C ATOM 191 O LEU A 14 2.265 4.948 -8.741 1.00 0.00 O ATOM 192 CB LEU A 14 0.868 4.886 -6.142 1.00 0.00 C ATOM 193 CG LEU A 14 0.844 4.631 -4.621 1.00 0.00 C ATOM 194 CD1 LEU A 14 0.306 5.875 -3.913 1.00 0.00 C ATOM 195 CD2 LEU A 14 -0.055 3.411 -4.288 1.00 0.00 C ATOM 0 H LEU A 14 3.151 4.107 -5.677 1.00 0.00 H new ATOM 0 HA LEU A 14 0.832 2.809 -6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.449 5.782 -6.360 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.144 5.066 -6.505 1.00 0.00 H new ATOM 0 HG LEU A 14 1.857 4.418 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.286 5.701 -2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.951 6.726 -4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.704 6.086 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.060 3.246 -3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.072 3.604 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.334 2.525 -4.789 1.00 0.00 H new ATOM 207 N PRO A 15 0.980 3.213 -9.253 1.00 0.00 N ATOM 208 CA PRO A 15 1.071 3.473 -10.721 1.00 0.00 C ATOM 209 C PRO A 15 0.172 4.630 -11.154 1.00 0.00 C ATOM 210 O PRO A 15 -0.762 5.002 -10.450 1.00 0.00 O ATOM 211 CB PRO A 15 0.636 2.134 -11.345 1.00 0.00 C ATOM 212 CG PRO A 15 -0.346 1.569 -10.364 1.00 0.00 C ATOM 213 CD PRO A 15 0.135 2.025 -8.975 1.00 0.00 C ATOM 0 HA PRO A 15 2.068 3.779 -11.036 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.180 2.281 -12.324 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.486 1.466 -11.486 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.354 1.932 -10.567 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.380 0.481 -10.428 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.704 2.276 -8.326 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.703 1.241 -8.473 1.00 0.00 H new ATOM 221 N ARG A 16 0.466 5.192 -12.319 1.00 0.00 N ATOM 222 CA ARG A 16 -0.320 6.303 -12.841 1.00 0.00 C ATOM 223 C ARG A 16 -1.801 5.938 -12.889 1.00 0.00 C ATOM 224 O ARG A 16 -2.156 4.778 -13.098 1.00 0.00 O ATOM 225 CB ARG A 16 0.167 6.665 -14.246 1.00 0.00 C ATOM 226 CG ARG A 16 -0.017 5.464 -15.183 1.00 0.00 C ATOM 227 CD ARG A 16 0.629 5.759 -16.536 1.00 0.00 C ATOM 228 NE ARG A 16 -0.079 6.847 -17.204 1.00 0.00 N ATOM 229 CZ ARG A 16 -1.283 6.663 -17.738 1.00 0.00 C ATOM 230 NH1 ARG A 16 -1.895 7.654 -18.327 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.854 5.491 -17.674 1.00 0.00 N ATOM 0 H ARG A 16 1.238 4.899 -12.918 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.193 7.159 -12.179 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.390 7.522 -14.625 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.217 6.956 -14.214 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.432 4.574 -14.741 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.078 5.253 -15.315 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.676 6.028 -16.397 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.609 4.865 -17.160 1.00 0.00 H new ATOM 0 HE ARG A 16 0.358 7.767 -17.262 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.450 8.570 -18.378 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.818 7.512 -18.736 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.377 4.716 -17.214 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.777 5.351 -18.084 1.00 0.00 H new ATOM 245 N GLY A 17 -2.664 6.933 -12.706 1.00 0.00 N ATOM 246 CA GLY A 17 -4.106 6.702 -12.740 1.00 0.00 C ATOM 247 C GLY A 17 -4.606 6.192 -11.397 1.00 0.00 C ATOM 248 O GLY A 17 -5.766 5.801 -11.269 1.00 0.00 O ATOM 0 H GLY A 17 -2.393 7.901 -12.534 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.621 7.628 -12.996 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.344 5.979 -13.520 1.00 0.00 H new ATOM 252 N VAL A 18 -3.726 6.204 -10.393 1.00 0.00 N ATOM 253 CA VAL A 18 -4.081 5.746 -9.044 1.00 0.00 C ATOM 254 C VAL A 18 -3.604 6.755 -8.010 1.00 0.00 C ATOM 255 O VAL A 18 -2.419 7.087 -7.952 1.00 0.00 O ATOM 256 CB VAL A 18 -3.431 4.387 -8.771 1.00 0.00 C ATOM 257 CG1 VAL A 18 -3.881 3.864 -7.407 1.00 0.00 C ATOM 258 CG2 VAL A 18 -3.841 3.397 -9.867 1.00 0.00 C ATOM 0 H VAL A 18 -2.762 6.525 -10.487 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.165 5.649 -8.977 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.347 4.497 -8.770 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.416 2.897 -7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.583 4.569 -6.631 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.965 3.753 -7.400 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.379 2.429 -9.674 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.925 3.287 -9.871 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.511 3.770 -10.836 1.00 0.00 H new ATOM 268 N ARG A 19 -4.534 7.234 -7.184 1.00 0.00 N ATOM 269 CA ARG A 19 -4.217 8.205 -6.133 1.00 0.00 C ATOM 270 C ARG A 19 -4.953 7.849 -4.852 1.00 0.00 C ATOM 271 O ARG A 19 -5.963 7.147 -4.880 1.00 0.00 O ATOM 272 CB ARG A 19 -4.614 9.613 -6.583 1.00 0.00 C ATOM 273 CG ARG A 19 -3.736 10.038 -7.763 1.00 0.00 C ATOM 274 CD ARG A 19 -4.165 11.423 -8.238 1.00 0.00 C ATOM 275 NE ARG A 19 -3.957 12.397 -7.175 1.00 0.00 N ATOM 276 CZ ARG A 19 -4.364 13.653 -7.302 1.00 0.00 C ATOM 277 NH1 ARG A 19 -4.162 14.503 -6.333 1.00 0.00 N ATOM 278 NH2 ARG A 19 -4.966 14.038 -8.394 1.00 0.00 N ATOM 0 H ARG A 19 -5.517 6.965 -7.222 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.144 8.179 -5.945 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.665 9.631 -6.873 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.499 10.316 -5.758 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.688 10.052 -7.465 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.826 9.318 -8.576 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.593 11.708 -9.121 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.215 11.408 -8.529 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.489 12.107 -6.316 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.692 14.201 -5.480 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.474 15.469 -6.429 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.124 13.373 -9.151 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.279 15.004 -8.491 1.00 0.00 H new ATOM 292 N LEU A 20 -4.437 8.336 -3.728 1.00 0.00 N ATOM 293 CA LEU A 20 -5.044 8.063 -2.426 1.00 0.00 C ATOM 294 C LEU A 20 -5.995 9.189 -2.042 1.00 0.00 C ATOM 295 O LEU A 20 -5.565 10.297 -1.727 1.00 0.00 O ATOM 296 CB LEU A 20 -3.946 7.945 -1.365 1.00 0.00 C ATOM 297 CG LEU A 20 -2.840 6.995 -1.854 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.785 6.856 -0.755 1.00 0.00 C ATOM 299 CD2 LEU A 20 -3.430 5.609 -2.187 1.00 0.00 C ATOM 0 H LEU A 20 -3.602 8.921 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.603 7.129 -2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.525 8.928 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.369 7.573 -0.432 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.387 7.404 -2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.995 6.184 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.359 7.835 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.248 6.450 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.635 4.948 -2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.892 5.186 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.181 5.712 -2.970 1.00 0.00 H new ATOM 311 N ARG A 21 -7.294 8.894 -2.068 1.00 0.00 N ATOM 312 CA ARG A 21 -8.313 9.883 -1.717 1.00 0.00 C ATOM 313 C ARG A 21 -8.622 9.802 -0.231 1.00 0.00 C ATOM 314 O ARG A 21 -8.739 8.712 0.329 1.00 0.00 O ATOM 315 CB ARG A 21 -9.589 9.622 -2.519 1.00 0.00 C ATOM 316 CG ARG A 21 -9.313 9.862 -4.003 1.00 0.00 C ATOM 317 CD ARG A 21 -10.599 9.650 -4.802 1.00 0.00 C ATOM 318 NE ARG A 21 -10.341 9.848 -6.225 1.00 0.00 N ATOM 319 CZ ARG A 21 -10.142 11.062 -6.729 1.00 0.00 C ATOM 320 NH1 ARG A 21 -9.912 11.207 -8.005 1.00 0.00 N ATOM 321 NH2 ARG A 21 -10.174 12.107 -5.948 1.00 0.00 N ATOM 0 H ARG A 21 -7.665 7.980 -2.328 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.936 10.878 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.928 8.598 -2.362 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.388 10.279 -2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.941 10.875 -4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.538 9.181 -4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.982 8.644 -4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.366 10.346 -4.463 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.313 9.039 -6.845 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.885 10.390 -8.614 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.759 12.138 -8.393 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.352 11.993 -4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.021 13.038 -6.335 1.00 0.00 H new ATOM 335 N PHE A 22 -8.757 10.962 0.409 1.00 0.00 N ATOM 336 CA PHE A 22 -9.054 11.011 1.840 1.00 0.00 C ATOM 337 C PHE A 22 -10.553 11.175 2.050 1.00 0.00 C ATOM 338 O PHE A 22 -11.090 12.276 1.942 1.00 0.00 O ATOM 339 CB PHE A 22 -8.314 12.194 2.478 1.00 0.00 C ATOM 340 CG PHE A 22 -8.388 12.087 3.988 1.00 0.00 C ATOM 341 CD1 PHE A 22 -7.332 11.511 4.703 1.00 0.00 C ATOM 342 CD2 PHE A 22 -9.518 12.556 4.668 1.00 0.00 C ATOM 343 CE1 PHE A 22 -7.402 11.405 6.096 1.00 0.00 C ATOM 344 CE2 PHE A 22 -9.590 12.450 6.062 1.00 0.00 C ATOM 345 CZ PHE A 22 -8.531 11.876 6.776 1.00 0.00 C ATOM 0 H PHE A 22 -8.666 11.875 -0.037 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.725 10.082 2.307 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.273 12.202 2.155 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.757 13.134 2.148 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.461 11.147 4.178 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -10.334 13.000 4.117 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.586 10.960 6.646 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -10.462 12.811 6.587 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.585 11.797 7.852 1.00 0.00 H new ATOM 355 N ASP A 23 -11.223 10.066 2.351 1.00 0.00 N ATOM 356 CA ASP A 23 -12.668 10.083 2.576 1.00 0.00 C ATOM 357 C ASP A 23 -12.964 10.355 4.046 1.00 0.00 C ATOM 358 O ASP A 23 -13.065 9.429 4.851 1.00 0.00 O ATOM 359 CB ASP A 23 -13.267 8.735 2.165 1.00 0.00 C ATOM 360 CG ASP A 23 -13.174 8.557 0.650 1.00 0.00 C ATOM 361 OD1 ASP A 23 -12.901 9.534 -0.029 1.00 0.00 O ATOM 362 OD2 ASP A 23 -13.382 7.448 0.191 1.00 0.00 O ATOM 0 H ASP A 23 -10.792 9.146 2.445 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.115 10.875 1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.738 7.925 2.667 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.308 8.680 2.482 1.00 0.00 H new ATOM 367 N GLU A 24 -13.102 11.631 4.389 1.00 0.00 N ATOM 368 CA GLU A 24 -13.388 12.016 5.766 1.00 0.00 C ATOM 369 C GLU A 24 -14.725 11.433 6.207 1.00 0.00 C ATOM 370 O GLU A 24 -14.902 11.067 7.369 1.00 0.00 O ATOM 371 CB GLU A 24 -13.419 13.542 5.883 1.00 0.00 C ATOM 372 CG GLU A 24 -13.600 13.945 7.350 1.00 0.00 C ATOM 373 CD GLU A 24 -13.508 15.461 7.493 1.00 0.00 C ATOM 374 OE1 GLU A 24 -13.047 16.099 6.561 1.00 0.00 O ATOM 375 OE2 GLU A 24 -13.899 15.961 8.535 1.00 0.00 O ATOM 0 H GLU A 24 -13.021 12.412 3.737 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.603 11.624 6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.494 13.965 5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.234 13.946 5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.566 13.596 7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.836 13.467 7.963 1.00 0.00 H new ATOM 382 N VAL A 25 -15.663 11.354 5.274 1.00 0.00 N ATOM 383 CA VAL A 25 -16.986 10.815 5.575 1.00 0.00 C ATOM 384 C VAL A 25 -16.879 9.345 5.986 1.00 0.00 C ATOM 385 O VAL A 25 -17.556 8.906 6.915 1.00 0.00 O ATOM 386 CB VAL A 25 -17.911 10.961 4.338 1.00 0.00 C ATOM 387 CG1 VAL A 25 -18.487 12.384 4.271 1.00 0.00 C ATOM 388 CG2 VAL A 25 -17.103 10.683 3.052 1.00 0.00 C ATOM 0 H VAL A 25 -15.536 11.654 4.307 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.415 11.377 6.405 1.00 0.00 H new ATOM 0 HB VAL A 25 -18.729 10.245 4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -19.134 12.474 3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -19.064 12.586 5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.672 13.103 4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.754 10.786 2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.282 11.396 2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.701 9.670 3.086 1.00 0.00 H new ATOM 398 N ARG A 26 -16.032 8.588 5.290 1.00 0.00 N ATOM 399 CA ARG A 26 -15.857 7.168 5.595 1.00 0.00 C ATOM 400 C ARG A 26 -14.916 6.996 6.783 1.00 0.00 C ATOM 401 O ARG A 26 -14.884 5.936 7.403 1.00 0.00 O ATOM 402 CB ARG A 26 -15.283 6.446 4.374 1.00 0.00 C ATOM 403 CG ARG A 26 -16.310 6.451 3.243 1.00 0.00 C ATOM 404 CD ARG A 26 -15.719 5.760 2.018 1.00 0.00 C ATOM 405 NE ARG A 26 -16.674 5.786 0.918 1.00 0.00 N ATOM 406 CZ ARG A 26 -16.371 5.269 -0.266 1.00 0.00 C ATOM 407 NH1 ARG A 26 -17.243 5.307 -1.234 1.00 0.00 N ATOM 408 NH2 ARG A 26 -15.202 4.723 -0.459 1.00 0.00 N ATOM 0 H ARG A 26 -15.460 8.930 4.517 1.00 0.00 H new ATOM 0 HA ARG A 26 -16.827 6.739 5.848 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.366 6.936 4.048 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.021 5.421 4.636 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.219 5.939 3.560 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -16.591 7.475 2.996 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.796 6.258 1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.461 4.729 2.261 1.00 0.00 H new ATOM 0 HE ARG A 26 -17.591 6.209 1.060 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.157 5.734 -1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -17.012 4.910 -2.145 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.521 4.694 0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.969 4.325 -1.369 1.00 0.00 H new ATOM 422 N ASN A 27 -14.162 8.053 7.091 1.00 0.00 N ATOM 423 CA ASN A 27 -13.218 8.040 8.212 1.00 0.00 C ATOM 424 C ASN A 27 -12.017 7.147 7.910 1.00 0.00 C ATOM 425 O ASN A 27 -11.227 6.834 8.800 1.00 0.00 O ATOM 426 CB ASN A 27 -13.923 7.564 9.501 1.00 0.00 C ATOM 427 CG ASN A 27 -13.143 8.005 10.737 1.00 0.00 C ATOM 428 OD1 ASN A 27 -12.690 7.169 11.516 1.00 0.00 O ATOM 429 ND2 ASN A 27 -12.959 9.277 10.963 1.00 0.00 N ATOM 0 H ASN A 27 -14.187 8.934 6.577 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.857 9.058 8.359 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -14.934 7.969 9.539 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -14.015 6.478 9.491 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.439 9.579 11.787 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -13.335 9.970 10.316 1.00 0.00 H new ATOM 436 N LYS A 28 -11.879 6.752 6.648 1.00 0.00 N ATOM 437 CA LYS A 28 -10.764 5.902 6.219 1.00 0.00 C ATOM 438 C LYS A 28 -10.330 6.277 4.812 1.00 0.00 C ATOM 439 O LYS A 28 -11.061 6.941 4.080 1.00 0.00 O ATOM 440 CB LYS A 28 -11.175 4.426 6.260 1.00 0.00 C ATOM 441 CG LYS A 28 -12.507 4.248 5.536 1.00 0.00 C ATOM 442 CD LYS A 28 -12.874 2.764 5.503 1.00 0.00 C ATOM 443 CE LYS A 28 -14.233 2.584 4.824 1.00 0.00 C ATOM 444 NZ LYS A 28 -14.136 3.011 3.398 1.00 0.00 N ATOM 0 H LYS A 28 -12.525 7.005 5.900 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.928 6.056 6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.408 3.811 5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.263 4.091 7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.287 4.816 6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.437 4.639 4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.110 2.203 4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.907 2.365 6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.545 1.541 4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.991 3.173 5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.022 2.779 2.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.973 4.037 3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.345 2.515 2.940 1.00 0.00 H new ATOM 458 N HIS A 29 -9.133 5.840 4.439 1.00 0.00 N ATOM 459 CA HIS A 29 -8.591 6.124 3.113 1.00 0.00 C ATOM 460 C HIS A 29 -9.008 5.039 2.137 1.00 0.00 C ATOM 461 O HIS A 29 -9.383 3.939 2.539 1.00 0.00 O ATOM 462 CB HIS A 29 -7.072 6.162 3.181 1.00 0.00 C ATOM 463 CG HIS A 29 -6.642 7.201 4.175 1.00 0.00 C ATOM 464 ND1 HIS A 29 -6.687 6.976 5.541 1.00 0.00 N ATOM 465 CD2 HIS A 29 -6.155 8.473 4.020 1.00 0.00 C ATOM 466 CE1 HIS A 29 -6.239 8.087 6.150 1.00 0.00 C ATOM 467 NE2 HIS A 29 -5.901 9.031 5.269 1.00 0.00 N ATOM 0 H HIS A 29 -8.518 5.287 5.036 1.00 0.00 H new ATOM 0 HA HIS A 29 -8.975 7.087 2.776 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.686 5.185 3.470 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.659 6.390 2.198 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.993 8.967 3.073 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -6.162 8.202 7.221 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -5.535 9.962 5.469 1.00 0.00 H new ATOM 475 N VAL A 30 -8.939 5.353 0.850 1.00 0.00 N ATOM 476 CA VAL A 30 -9.309 4.397 -0.196 1.00 0.00 C ATOM 477 C VAL A 30 -8.368 4.529 -1.380 1.00 0.00 C ATOM 478 O VAL A 30 -7.762 5.580 -1.581 1.00 0.00 O ATOM 479 CB VAL A 30 -10.746 4.659 -0.646 1.00 0.00 C ATOM 480 CG1 VAL A 30 -11.704 4.416 0.527 1.00 0.00 C ATOM 481 CG2 VAL A 30 -10.880 6.108 -1.127 1.00 0.00 C ATOM 0 H VAL A 30 -8.631 6.261 0.501 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.234 3.386 0.204 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.996 3.983 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.728 4.603 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.612 3.383 0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.453 5.089 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.906 6.292 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.627 6.787 -0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.203 6.278 -1.964 1.00 0.00 H new ATOM 491 N LEU A 31 -8.258 3.461 -2.175 1.00 0.00 N ATOM 492 CA LEU A 31 -7.394 3.469 -3.358 1.00 0.00 C ATOM 493 C LEU A 31 -8.239 3.692 -4.599 1.00 0.00 C ATOM 494 O LEU A 31 -9.177 2.941 -4.861 1.00 0.00 O ATOM 495 CB LEU A 31 -6.651 2.126 -3.481 1.00 0.00 C ATOM 496 CG LEU A 31 -5.631 2.158 -4.640 1.00 0.00 C ATOM 497 CD1 LEU A 31 -4.524 3.210 -4.371 1.00 0.00 C ATOM 498 CD2 LEU A 31 -5.005 0.766 -4.781 1.00 0.00 C ATOM 0 H LEU A 31 -8.754 2.583 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.664 4.272 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.136 1.905 -2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.370 1.323 -3.647 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.143 2.435 -5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.817 3.215 -5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.976 4.197 -4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.000 2.959 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.282 0.773 -5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.502 0.498 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.786 0.036 -4.995 1.00 0.00 H new ATOM 510 N LEU A 32 -7.893 4.717 -5.374 1.00 0.00 N ATOM 511 CA LEU A 32 -8.623 5.010 -6.602 1.00 0.00 C ATOM 512 C LEU A 32 -8.150 4.066 -7.698 1.00 0.00 C ATOM 513 O LEU A 32 -7.135 4.326 -8.344 1.00 0.00 O ATOM 514 CB LEU A 32 -8.355 6.459 -7.030 1.00 0.00 C ATOM 515 CG LEU A 32 -9.232 6.845 -8.241 1.00 0.00 C ATOM 516 CD1 LEU A 32 -10.734 6.861 -7.856 1.00 0.00 C ATOM 517 CD2 LEU A 32 -8.805 8.233 -8.739 1.00 0.00 C ATOM 0 H LEU A 32 -7.120 5.352 -5.176 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.691 4.877 -6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.560 7.132 -6.198 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.302 6.579 -7.285 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.095 6.105 -9.030 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.330 7.136 -8.726 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.032 5.871 -7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.898 7.588 -7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.418 8.517 -9.595 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.937 8.963 -7.940 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.757 8.206 -9.036 1.00 0.00 H new ATOM 529 N ALA A 33 -8.878 2.966 -7.909 1.00 0.00 N ATOM 530 CA ALA A 33 -8.497 1.996 -8.940 1.00 0.00 C ATOM 531 C ALA A 33 -9.241 2.306 -10.250 1.00 0.00 C ATOM 532 O ALA A 33 -10.378 2.777 -10.204 1.00 0.00 O ATOM 533 CB ALA A 33 -8.856 0.581 -8.472 1.00 0.00 C ATOM 0 H ALA A 33 -9.722 2.727 -7.389 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.423 2.062 -9.112 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.572 -0.139 -9.240 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.322 0.357 -7.549 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.930 0.518 -8.295 1.00 0.00 H new ATOM 539 N PRO A 34 -8.661 2.052 -11.408 1.00 0.00 N ATOM 540 CA PRO A 34 -9.355 2.320 -12.706 1.00 0.00 C ATOM 541 C PRO A 34 -10.769 1.728 -12.755 1.00 0.00 C ATOM 542 O PRO A 34 -11.676 2.319 -13.340 1.00 0.00 O ATOM 543 CB PRO A 34 -8.451 1.636 -13.754 1.00 0.00 C ATOM 544 CG PRO A 34 -7.085 1.631 -13.143 1.00 0.00 C ATOM 545 CD PRO A 34 -7.299 1.510 -11.626 1.00 0.00 C ATOM 0 HA PRO A 34 -9.490 3.389 -12.872 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.791 0.623 -13.968 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.459 2.181 -14.698 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.492 0.798 -13.521 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.544 2.545 -13.389 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.224 0.474 -11.294 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.551 2.077 -11.072 1.00 0.00 H new ATOM 553 N GLU A 35 -10.936 0.544 -12.169 1.00 0.00 N ATOM 554 CA GLU A 35 -12.234 -0.130 -12.189 1.00 0.00 C ATOM 555 C GLU A 35 -13.214 0.536 -11.228 1.00 0.00 C ATOM 556 O GLU A 35 -14.325 0.887 -11.621 1.00 0.00 O ATOM 557 CB GLU A 35 -12.044 -1.604 -11.793 1.00 0.00 C ATOM 558 CG GLU A 35 -13.337 -2.399 -12.032 1.00 0.00 C ATOM 559 CD GLU A 35 -13.612 -2.524 -13.529 1.00 0.00 C ATOM 560 OE1 GLU A 35 -12.673 -2.389 -14.296 1.00 0.00 O ATOM 561 OE2 GLU A 35 -14.757 -2.749 -13.883 1.00 0.00 O ATOM 0 H GLU A 35 -10.199 0.036 -11.680 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.646 -0.062 -13.196 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.230 -2.040 -12.373 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.759 -1.670 -10.743 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.250 -3.390 -11.587 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.174 -1.902 -11.542 1.00 0.00 H new ATOM 568 N ARG A 36 -12.795 0.708 -9.974 1.00 0.00 N ATOM 569 CA ARG A 36 -13.652 1.327 -8.964 1.00 0.00 C ATOM 570 C ARG A 36 -12.895 1.503 -7.653 1.00 0.00 C ATOM 571 O ARG A 36 -11.973 0.751 -7.353 1.00 0.00 O ATOM 572 CB ARG A 36 -14.885 0.448 -8.711 1.00 0.00 C ATOM 573 CG ARG A 36 -15.829 1.139 -7.720 1.00 0.00 C ATOM 574 CD ARG A 36 -17.124 0.341 -7.607 1.00 0.00 C ATOM 575 NE ARG A 36 -16.862 -0.968 -7.021 1.00 0.00 N ATOM 576 CZ ARG A 36 -17.825 -1.878 -6.918 1.00 0.00 C ATOM 577 NH1 ARG A 36 -17.568 -3.039 -6.382 1.00 0.00 N ATOM 578 NH2 ARG A 36 -19.027 -1.611 -7.354 1.00 0.00 N ATOM 0 H ARG A 36 -11.874 0.429 -9.635 1.00 0.00 H new ATOM 0 HA ARG A 36 -13.962 2.304 -9.335 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -15.405 0.259 -9.650 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.577 -0.520 -8.317 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.352 1.218 -6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -16.043 2.154 -8.054 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.842 0.885 -6.993 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -17.573 0.222 -8.593 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.925 -1.189 -6.685 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.629 -3.247 -6.043 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -18.306 -3.738 -6.302 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -19.227 -0.703 -7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.765 -2.310 -7.274 1.00 0.00 H new ATOM 592 N THR A 37 -13.312 2.483 -6.862 1.00 0.00 N ATOM 593 CA THR A 37 -12.680 2.729 -5.576 1.00 0.00 C ATOM 594 C THR A 37 -12.960 1.574 -4.622 1.00 0.00 C ATOM 595 O THR A 37 -14.104 1.150 -4.470 1.00 0.00 O ATOM 596 CB THR A 37 -13.222 4.028 -4.979 1.00 0.00 C ATOM 597 OG1 THR A 37 -13.007 5.091 -5.894 1.00 0.00 O ATOM 598 CG2 THR A 37 -12.512 4.330 -3.658 1.00 0.00 C ATOM 0 H THR A 37 -14.080 3.116 -7.087 1.00 0.00 H new ATOM 0 HA THR A 37 -11.603 2.815 -5.722 1.00 0.00 H new ATOM 0 HB THR A 37 -14.290 3.921 -4.790 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.355 5.925 -5.514 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.903 5.257 -3.238 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.684 3.513 -2.957 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.442 4.436 -3.836 1.00 0.00 H new ATOM 606 N PHE A 38 -11.902 1.067 -3.983 1.00 0.00 N ATOM 607 CA PHE A 38 -12.025 -0.053 -3.038 1.00 0.00 C ATOM 608 C PHE A 38 -11.888 0.442 -1.601 1.00 0.00 C ATOM 609 O PHE A 38 -11.084 1.326 -1.310 1.00 0.00 O ATOM 610 CB PHE A 38 -10.931 -1.093 -3.333 1.00 0.00 C ATOM 611 CG PHE A 38 -11.261 -1.830 -4.617 1.00 0.00 C ATOM 612 CD1 PHE A 38 -10.708 -1.415 -5.836 1.00 0.00 C ATOM 613 CD2 PHE A 38 -12.133 -2.925 -4.584 1.00 0.00 C ATOM 614 CE1 PHE A 38 -11.024 -2.099 -7.017 1.00 0.00 C ATOM 615 CE2 PHE A 38 -12.449 -3.607 -5.764 1.00 0.00 C ATOM 616 CZ PHE A 38 -11.895 -3.193 -6.981 1.00 0.00 C ATOM 0 H PHE A 38 -10.950 1.412 -4.101 1.00 0.00 H new ATOM 0 HA PHE A 38 -13.008 -0.508 -3.157 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -9.963 -0.601 -3.423 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -10.854 -1.799 -2.506 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.038 -0.568 -5.865 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -12.563 -3.244 -3.646 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.595 -1.781 -7.956 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.120 -4.453 -5.736 1.00 0.00 H new ATOM 0 HZ PHE A 38 -12.140 -3.718 -7.892 1.00 0.00 H new ATOM 626 N ASP A 39 -12.673 -0.153 -0.706 1.00 0.00 N ATOM 627 CA ASP A 39 -12.629 0.215 0.703 1.00 0.00 C ATOM 628 C ASP A 39 -11.359 -0.334 1.339 1.00 0.00 C ATOM 629 O ASP A 39 -11.156 -1.547 1.391 1.00 0.00 O ATOM 630 CB ASP A 39 -13.859 -0.345 1.427 1.00 0.00 C ATOM 631 CG ASP A 39 -13.767 -0.080 2.924 1.00 0.00 C ATOM 632 OD1 ASP A 39 -12.911 0.694 3.315 1.00 0.00 O ATOM 633 OD2 ASP A 39 -14.555 -0.652 3.659 1.00 0.00 O ATOM 0 H ASP A 39 -13.343 -0.888 -0.932 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.631 1.302 0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -14.763 0.113 1.026 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -13.937 -1.417 1.246 1.00 0.00 H new ATOM 638 N LEU A 40 -10.500 0.569 1.816 1.00 0.00 N ATOM 639 CA LEU A 40 -9.231 0.185 2.446 1.00 0.00 C ATOM 640 C LEU A 40 -9.054 0.925 3.765 1.00 0.00 C ATOM 641 O LEU A 40 -9.633 1.990 3.976 1.00 0.00 O ATOM 642 CB LEU A 40 -8.067 0.522 1.502 1.00 0.00 C ATOM 643 CG LEU A 40 -8.108 -0.385 0.234 1.00 0.00 C ATOM 644 CD1 LEU A 40 -7.372 0.302 -0.917 1.00 0.00 C ATOM 645 CD2 LEU A 40 -7.418 -1.729 0.510 1.00 0.00 C ATOM 0 H LEU A 40 -10.659 1.576 1.779 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.242 -0.887 2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.122 1.570 1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.119 0.386 2.022 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.152 -0.555 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.403 -0.335 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.853 1.255 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.334 0.477 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.456 -2.349 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.378 -1.554 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.929 -2.240 1.326 1.00 0.00 H new ATOM 657 N ASP A 41 -8.254 0.339 4.650 1.00 0.00 N ATOM 658 CA ASP A 41 -7.997 0.926 5.961 1.00 0.00 C ATOM 659 C ASP A 41 -6.889 1.965 5.864 1.00 0.00 C ATOM 660 O ASP A 41 -5.968 1.835 5.059 1.00 0.00 O ATOM 661 CB ASP A 41 -7.584 -0.169 6.943 1.00 0.00 C ATOM 662 CG ASP A 41 -8.594 -1.311 6.901 1.00 0.00 C ATOM 663 OD1 ASP A 41 -9.760 -1.035 6.672 1.00 0.00 O ATOM 664 OD2 ASP A 41 -8.185 -2.443 7.097 1.00 0.00 O ATOM 0 H ASP A 41 -7.771 -0.544 4.483 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.908 1.409 6.315 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.591 -0.541 6.690 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.525 0.239 7.952 1.00 0.00 H new ATOM 669 N ASP A 42 -6.989 2.996 6.688 1.00 0.00 N ATOM 670 CA ASP A 42 -5.996 4.057 6.688 1.00 0.00 C ATOM 671 C ASP A 42 -4.613 3.503 7.019 1.00 0.00 C ATOM 672 O ASP A 42 -3.608 3.966 6.485 1.00 0.00 O ATOM 673 CB ASP A 42 -6.382 5.117 7.716 1.00 0.00 C ATOM 674 CG ASP A 42 -6.443 4.499 9.111 1.00 0.00 C ATOM 675 OD1 ASP A 42 -6.532 3.285 9.199 1.00 0.00 O ATOM 676 OD2 ASP A 42 -6.399 5.250 10.070 1.00 0.00 O ATOM 0 H ASP A 42 -7.744 3.120 7.362 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.962 4.502 5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.656 5.930 7.702 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.349 5.549 7.459 1.00 0.00 H new ATOM 681 N ASN A 43 -4.570 2.512 7.904 1.00 0.00 N ATOM 682 CA ASN A 43 -3.300 1.913 8.297 1.00 0.00 C ATOM 683 C ASN A 43 -2.631 1.232 7.106 1.00 0.00 C ATOM 684 O ASN A 43 -1.417 1.326 6.931 1.00 0.00 O ATOM 685 CB ASN A 43 -3.533 0.890 9.412 1.00 0.00 C ATOM 686 CG ASN A 43 -4.577 -0.130 8.973 1.00 0.00 C ATOM 687 OD1 ASN A 43 -4.325 -0.931 8.072 1.00 0.00 O ATOM 688 ND2 ASN A 43 -5.742 -0.147 9.557 1.00 0.00 N ATOM 0 H ASN A 43 -5.390 2.110 8.358 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.643 2.704 8.658 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.598 0.385 9.654 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.866 1.397 10.318 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.447 -0.825 9.268 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.948 0.517 10.303 1.00 0.00 H new ATOM 695 N ALA A 44 -3.428 0.547 6.292 1.00 0.00 N ATOM 696 CA ALA A 44 -2.898 -0.146 5.120 1.00 0.00 C ATOM 697 C ALA A 44 -2.468 0.853 4.052 1.00 0.00 C ATOM 698 O ALA A 44 -1.449 0.666 3.388 1.00 0.00 O ATOM 699 CB ALA A 44 -3.961 -1.082 4.546 1.00 0.00 C ATOM 0 H ALA A 44 -4.436 0.456 6.420 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.028 -0.726 5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.560 -1.596 3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.245 -1.816 5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.837 -0.503 4.256 1.00 0.00 H new ATOM 705 N VAL A 45 -3.252 1.918 3.891 1.00 0.00 N ATOM 706 CA VAL A 45 -2.947 2.947 2.899 1.00 0.00 C ATOM 707 C VAL A 45 -1.844 3.865 3.416 1.00 0.00 C ATOM 708 O VAL A 45 -1.080 4.433 2.635 1.00 0.00 O ATOM 709 CB VAL A 45 -4.204 3.772 2.608 1.00 0.00 C ATOM 710 CG1 VAL A 45 -3.880 4.888 1.597 1.00 0.00 C ATOM 711 CG2 VAL A 45 -5.290 2.857 2.033 1.00 0.00 C ATOM 0 H VAL A 45 -4.099 2.090 4.432 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.608 2.464 1.983 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.559 4.225 3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.780 5.469 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.111 5.541 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.520 4.445 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.186 3.442 1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.931 2.402 1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.527 2.075 2.755 1.00 0.00 H new ATOM 721 N ALA A 46 -1.772 4.012 4.734 1.00 0.00 N ATOM 722 CA ALA A 46 -0.761 4.872 5.337 1.00 0.00 C ATOM 723 C ALA A 46 0.632 4.445 4.886 1.00 0.00 C ATOM 724 O ALA A 46 1.505 5.280 4.671 1.00 0.00 O ATOM 725 CB ALA A 46 -0.858 4.806 6.867 1.00 0.00 C ATOM 0 H ALA A 46 -2.394 3.553 5.399 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.937 5.898 5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.099 5.452 7.308 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.846 5.139 7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.698 3.780 7.198 1.00 0.00 H new ATOM 731 N VAL A 47 0.827 3.140 4.746 1.00 0.00 N ATOM 732 CA VAL A 47 2.119 2.611 4.327 1.00 0.00 C ATOM 733 C VAL A 47 2.502 3.162 2.956 1.00 0.00 C ATOM 734 O VAL A 47 3.631 3.601 2.743 1.00 0.00 O ATOM 735 CB VAL A 47 2.040 1.081 4.260 1.00 0.00 C ATOM 736 CG1 VAL A 47 3.386 0.498 3.814 1.00 0.00 C ATOM 737 CG2 VAL A 47 1.679 0.531 5.643 1.00 0.00 C ATOM 0 H VAL A 47 0.112 2.432 4.915 1.00 0.00 H new ATOM 0 HA VAL A 47 2.877 2.913 5.049 1.00 0.00 H new ATOM 0 HB VAL A 47 1.275 0.796 3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.315 -0.589 3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.641 0.885 2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.160 0.783 4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.622 -0.557 5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.443 0.825 6.362 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.714 0.932 5.954 1.00 0.00 H new ATOM 747 N LEU A 48 1.555 3.119 2.027 1.00 0.00 N ATOM 748 CA LEU A 48 1.794 3.600 0.672 1.00 0.00 C ATOM 749 C LEU A 48 1.898 5.122 0.651 1.00 0.00 C ATOM 750 O LEU A 48 2.569 5.697 -0.202 1.00 0.00 O ATOM 751 CB LEU A 48 0.661 3.146 -0.249 1.00 0.00 C ATOM 752 CG LEU A 48 0.434 1.632 -0.102 1.00 0.00 C ATOM 753 CD1 LEU A 48 -0.714 1.212 -1.024 1.00 0.00 C ATOM 754 CD2 LEU A 48 1.715 0.852 -0.477 1.00 0.00 C ATOM 0 H LEU A 48 0.615 2.756 2.187 1.00 0.00 H new ATOM 0 HA LEU A 48 2.737 3.182 0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.255 3.684 -0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.905 3.386 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 48 0.184 1.405 0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.884 0.140 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.620 1.749 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.456 1.448 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.535 -0.217 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.984 1.070 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.530 1.153 0.182 1.00 0.00 H new ATOM 766 N LYS A 49 1.216 5.769 1.591 1.00 0.00 N ATOM 767 CA LYS A 49 1.225 7.230 1.678 1.00 0.00 C ATOM 768 C LYS A 49 2.468 7.730 2.410 1.00 0.00 C ATOM 769 O LYS A 49 2.929 8.845 2.172 1.00 0.00 O ATOM 770 CB LYS A 49 -0.023 7.708 2.420 1.00 0.00 C ATOM 771 CG LYS A 49 -0.110 9.239 2.364 1.00 0.00 C ATOM 772 CD LYS A 49 -1.463 9.708 2.917 1.00 0.00 C ATOM 773 CE LYS A 49 -1.612 9.314 4.398 1.00 0.00 C ATOM 774 NZ LYS A 49 -2.683 10.142 5.012 1.00 0.00 N ATOM 0 H LYS A 49 0.650 5.308 2.303 1.00 0.00 H new ATOM 0 HA LYS A 49 1.234 7.631 0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.914 7.268 1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.010 7.375 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.701 9.679 2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.010 9.581 1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.549 10.790 2.813 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.272 9.267 2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.858 8.256 4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.670 9.465 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.412 10.396 5.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.816 11.008 4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.572 9.602 5.030 1.00 0.00 H new ATOM 788 N LEU A 50 2.997 6.906 3.315 1.00 0.00 N ATOM 789 CA LEU A 50 4.176 7.302 4.085 1.00 0.00 C ATOM 790 C LEU A 50 5.407 7.356 3.182 1.00 0.00 C ATOM 791 O LEU A 50 6.299 8.180 3.380 1.00 0.00 O ATOM 792 CB LEU A 50 4.420 6.279 5.213 1.00 0.00 C ATOM 793 CG LEU A 50 5.458 6.820 6.238 1.00 0.00 C ATOM 794 CD1 LEU A 50 4.759 7.664 7.317 1.00 0.00 C ATOM 795 CD2 LEU A 50 6.172 5.647 6.923 1.00 0.00 C ATOM 0 H LEU A 50 2.636 5.977 3.530 1.00 0.00 H new ATOM 0 HA LEU A 50 4.002 8.291 4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.481 6.061 5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.777 5.341 4.788 1.00 0.00 H new ATOM 0 HG LEU A 50 6.178 7.438 5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.500 8.034 8.026 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.252 8.507 6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.029 7.049 7.843 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.898 6.031 7.640 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.440 5.029 7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.686 5.046 6.173 1.00 0.00 H new ATOM 807 N VAL A 51 5.437 6.483 2.180 1.00 0.00 N ATOM 808 CA VAL A 51 6.553 6.447 1.236 1.00 0.00 C ATOM 809 C VAL A 51 6.446 7.606 0.240 1.00 0.00 C ATOM 810 O VAL A 51 5.405 7.815 -0.384 1.00 0.00 O ATOM 811 CB VAL A 51 6.596 5.088 0.499 1.00 0.00 C ATOM 812 CG1 VAL A 51 5.216 4.740 -0.058 1.00 0.00 C ATOM 813 CG2 VAL A 51 7.609 5.141 -0.657 1.00 0.00 C ATOM 0 H VAL A 51 4.707 5.794 2.000 1.00 0.00 H new ATOM 0 HA VAL A 51 7.484 6.560 1.792 1.00 0.00 H new ATOM 0 HB VAL A 51 6.900 4.323 1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.263 3.781 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.499 4.677 0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.901 5.513 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.629 4.178 -1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.316 5.919 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.600 5.363 -0.262 1.00 0.00 H new ATOM 823 N ASP A 52 7.537 8.349 0.090 1.00 0.00 N ATOM 824 CA ASP A 52 7.568 9.469 -0.844 1.00 0.00 C ATOM 825 C ASP A 52 7.527 8.960 -2.289 1.00 0.00 C ATOM 826 O ASP A 52 6.794 9.492 -3.123 1.00 0.00 O ATOM 827 CB ASP A 52 8.835 10.306 -0.611 1.00 0.00 C ATOM 828 CG ASP A 52 8.752 11.029 0.734 1.00 0.00 C ATOM 829 OD1 ASP A 52 7.666 11.093 1.288 1.00 0.00 O ATOM 830 OD2 ASP A 52 9.778 11.506 1.191 1.00 0.00 O ATOM 0 H ASP A 52 8.407 8.198 0.600 1.00 0.00 H new ATOM 0 HA ASP A 52 6.692 10.095 -0.674 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.714 9.662 -0.632 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.953 11.032 -1.415 1.00 0.00 H new ATOM 835 N GLY A 53 8.317 7.915 -2.570 1.00 0.00 N ATOM 836 CA GLY A 53 8.374 7.316 -3.914 1.00 0.00 C ATOM 837 C GLY A 53 8.586 5.813 -3.819 1.00 0.00 C ATOM 838 O GLY A 53 7.627 5.057 -3.667 1.00 0.00 O ATOM 0 H GLY A 53 8.926 7.466 -1.886 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.449 7.525 -4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.184 7.768 -4.486 1.00 0.00 H new ATOM 842 N ARG A 54 9.850 5.376 -3.914 1.00 0.00 N ATOM 843 CA ARG A 54 10.177 3.946 -3.822 1.00 0.00 C ATOM 844 C ARG A 54 11.014 3.675 -2.577 1.00 0.00 C ATOM 845 O ARG A 54 12.215 3.940 -2.554 1.00 0.00 O ATOM 846 CB ARG A 54 10.970 3.534 -5.070 1.00 0.00 C ATOM 847 CG ARG A 54 10.064 3.629 -6.299 1.00 0.00 C ATOM 848 CD ARG A 54 10.846 3.216 -7.546 1.00 0.00 C ATOM 849 NE ARG A 54 11.913 4.175 -7.807 1.00 0.00 N ATOM 850 CZ ARG A 54 11.649 5.390 -8.276 1.00 0.00 C ATOM 851 NH1 ARG A 54 12.623 6.229 -8.497 1.00 0.00 N ATOM 852 NH2 ARG A 54 10.416 5.745 -8.515 1.00 0.00 N ATOM 0 H ARG A 54 10.656 5.986 -4.053 1.00 0.00 H new ATOM 0 HA ARG A 54 9.254 3.370 -3.757 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.838 4.181 -5.193 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.344 2.516 -4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.194 2.984 -6.173 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.692 4.647 -6.411 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.267 2.220 -7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.176 3.163 -8.404 1.00 0.00 H new ATOM 0 HE ARG A 54 12.881 3.908 -7.626 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.587 5.952 -8.310 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.421 7.162 -8.857 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.654 5.090 -8.342 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.215 6.678 -8.875 1.00 0.00 H new ATOM 866 N ASN A 55 10.369 3.089 -1.562 1.00 0.00 N ATOM 867 CA ASN A 55 11.041 2.706 -0.310 1.00 0.00 C ATOM 868 C ASN A 55 10.974 1.195 -0.117 1.00 0.00 C ATOM 869 O ASN A 55 9.958 0.569 -0.414 1.00 0.00 O ATOM 870 CB ASN A 55 10.393 3.431 0.878 1.00 0.00 C ATOM 871 CG ASN A 55 10.768 4.913 0.852 1.00 0.00 C ATOM 872 OD1 ASN A 55 11.685 5.310 0.131 1.00 0.00 O ATOM 873 ND2 ASN A 55 10.115 5.758 1.601 1.00 0.00 N ATOM 0 H ASN A 55 9.374 2.867 -1.582 1.00 0.00 H new ATOM 0 HA ASN A 55 12.089 3.000 -0.366 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.309 3.321 0.835 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.723 2.980 1.814 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.363 6.747 1.590 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.356 5.430 2.198 1.00 0.00 H new ATOM 880 N THR A 56 12.041 0.614 0.415 1.00 0.00 N ATOM 881 CA THR A 56 12.072 -0.824 0.673 1.00 0.00 C ATOM 882 C THR A 56 11.301 -1.133 1.951 1.00 0.00 C ATOM 883 O THR A 56 11.362 -0.375 2.918 1.00 0.00 O ATOM 884 CB THR A 56 13.519 -1.297 0.818 1.00 0.00 C ATOM 885 OG1 THR A 56 14.098 -0.694 1.967 1.00 0.00 O ATOM 886 CG2 THR A 56 14.312 -0.894 -0.426 1.00 0.00 C ATOM 0 H THR A 56 12.893 1.111 0.676 1.00 0.00 H new ATOM 0 HA THR A 56 11.608 -1.346 -0.164 1.00 0.00 H new ATOM 0 HB THR A 56 13.541 -2.381 0.926 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.025 -0.997 2.063 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.344 -1.230 -0.324 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.865 -1.354 -1.307 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.293 0.190 -0.534 1.00 0.00 H new ATOM 894 N VAL A 57 10.570 -2.242 1.954 1.00 0.00 N ATOM 895 CA VAL A 57 9.785 -2.623 3.125 1.00 0.00 C ATOM 896 C VAL A 57 10.648 -2.601 4.382 1.00 0.00 C ATOM 897 O VAL A 57 10.196 -2.193 5.452 1.00 0.00 O ATOM 898 CB VAL A 57 9.206 -4.025 2.921 1.00 0.00 C ATOM 899 CG1 VAL A 57 8.337 -4.031 1.661 1.00 0.00 C ATOM 900 CG2 VAL A 57 10.346 -5.042 2.763 1.00 0.00 C ATOM 0 H VAL A 57 10.504 -2.888 1.168 1.00 0.00 H new ATOM 0 HA VAL A 57 8.973 -1.906 3.249 1.00 0.00 H new ATOM 0 HB VAL A 57 8.602 -4.298 3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.922 -5.027 1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.525 -3.313 1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.945 -3.757 0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.928 -6.038 2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.955 -4.775 1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.966 -5.036 3.659 1.00 0.00 H new ATOM 910 N SER A 58 11.895 -3.035 4.243 1.00 0.00 N ATOM 911 CA SER A 58 12.812 -3.053 5.371 1.00 0.00 C ATOM 912 C SER A 58 12.975 -1.650 5.948 1.00 0.00 C ATOM 913 O SER A 58 12.942 -1.463 7.163 1.00 0.00 O ATOM 914 CB SER A 58 14.173 -3.582 4.926 1.00 0.00 C ATOM 915 OG SER A 58 14.024 -4.909 4.440 1.00 0.00 O ATOM 0 H SER A 58 12.290 -3.376 3.367 1.00 0.00 H new ATOM 0 HA SER A 58 12.401 -3.707 6.141 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.588 -2.942 4.148 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.874 -3.564 5.761 1.00 0.00 H new ATOM 0 HG SER A 58 14.896 -5.252 4.152 1.00 0.00 H new ATOM 921 N GLN A 59 13.152 -0.667 5.069 1.00 0.00 N ATOM 922 CA GLN A 59 13.324 0.716 5.507 1.00 0.00 C ATOM 923 C GLN A 59 12.050 1.239 6.157 1.00 0.00 C ATOM 924 O GLN A 59 12.091 1.850 7.225 1.00 0.00 O ATOM 925 CB GLN A 59 13.684 1.600 4.309 1.00 0.00 C ATOM 926 CG GLN A 59 14.011 3.016 4.791 1.00 0.00 C ATOM 927 CD GLN A 59 14.466 3.871 3.616 1.00 0.00 C ATOM 928 OE1 GLN A 59 13.705 4.083 2.672 1.00 0.00 O ATOM 929 NE2 GLN A 59 15.668 4.376 3.616 1.00 0.00 N ATOM 0 H GLN A 59 13.180 -0.800 4.058 1.00 0.00 H new ATOM 0 HA GLN A 59 14.130 0.745 6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.539 1.180 3.779 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.854 1.628 3.603 1.00 0.00 H new ATOM 0 HG2 GLN A 59 13.133 3.462 5.258 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.793 2.980 5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.296 4.198 4.400 1.00 0.00 H new ATOM 0 HE22 GLN A 59 15.980 4.949 2.832 1.00 0.00 H new ATOM 938 N ILE A 60 10.921 0.997 5.505 1.00 0.00 N ATOM 939 CA ILE A 60 9.642 1.454 6.029 1.00 0.00 C ATOM 940 C ILE A 60 9.376 0.817 7.386 1.00 0.00 C ATOM 941 O ILE A 60 8.910 1.477 8.315 1.00 0.00 O ATOM 942 CB ILE A 60 8.506 1.101 5.060 1.00 0.00 C ATOM 943 CG1 ILE A 60 8.811 1.684 3.669 1.00 0.00 C ATOM 944 CG2 ILE A 60 7.189 1.690 5.585 1.00 0.00 C ATOM 945 CD1 ILE A 60 7.800 1.153 2.645 1.00 0.00 C ATOM 0 H ILE A 60 10.864 0.492 4.621 1.00 0.00 H new ATOM 0 HA ILE A 60 9.683 2.537 6.142 1.00 0.00 H new ATOM 0 HB ILE A 60 8.418 0.017 4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.768 2.773 3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.823 1.415 3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.380 1.441 4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.971 1.274 6.569 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.280 2.774 5.661 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.023 1.571 1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.864 0.066 2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.793 1.445 2.943 1.00 0.00 H new ATOM 957 N ALA A 61 9.664 -0.474 7.487 1.00 0.00 N ATOM 958 CA ALA A 61 9.442 -1.202 8.726 1.00 0.00 C ATOM 959 C ALA A 61 10.123 -0.510 9.902 1.00 0.00 C ATOM 960 O ALA A 61 9.572 -0.452 11.000 1.00 0.00 O ATOM 961 CB ALA A 61 9.969 -2.630 8.587 1.00 0.00 C ATOM 0 H ALA A 61 10.050 -1.035 6.728 1.00 0.00 H new ATOM 0 HA ALA A 61 8.370 -1.225 8.921 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.801 -3.172 9.518 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.446 -3.133 7.774 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.037 -2.604 8.370 1.00 0.00 H new ATOM 967 N GLN A 62 11.318 0.013 9.668 1.00 0.00 N ATOM 968 CA GLN A 62 12.053 0.699 10.723 1.00 0.00 C ATOM 969 C GLN A 62 11.294 1.936 11.195 1.00 0.00 C ATOM 970 O GLN A 62 11.052 2.106 12.388 1.00 0.00 O ATOM 971 CB GLN A 62 13.434 1.121 10.203 1.00 0.00 C ATOM 972 CG GLN A 62 14.296 -0.117 9.923 1.00 0.00 C ATOM 973 CD GLN A 62 14.695 -0.795 11.228 1.00 0.00 C ATOM 974 OE1 GLN A 62 14.900 -0.124 12.240 1.00 0.00 O ATOM 975 NE2 GLN A 62 14.831 -2.089 11.262 1.00 0.00 N ATOM 0 H GLN A 62 11.796 -0.023 8.768 1.00 0.00 H new ATOM 0 HA GLN A 62 12.167 0.014 11.563 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.323 1.710 9.292 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.928 1.758 10.937 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.744 -0.818 9.296 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.189 0.172 9.369 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.660 -2.642 10.422 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.108 -2.550 12.129 1.00 0.00 H new ATOM 984 N ILE A 63 10.935 2.803 10.257 1.00 0.00 N ATOM 985 CA ILE A 63 10.220 4.029 10.599 1.00 0.00 C ATOM 986 C ILE A 63 8.837 3.723 11.166 1.00 0.00 C ATOM 987 O ILE A 63 8.455 4.248 12.211 1.00 0.00 O ATOM 988 CB ILE A 63 10.069 4.907 9.348 1.00 0.00 C ATOM 989 CG1 ILE A 63 11.459 5.210 8.758 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.371 6.227 9.723 1.00 0.00 C ATOM 991 CD1 ILE A 63 11.306 5.860 7.380 1.00 0.00 C ATOM 0 H ILE A 63 11.124 2.683 9.262 1.00 0.00 H new ATOM 0 HA ILE A 63 10.798 4.555 11.359 1.00 0.00 H new ATOM 0 HB ILE A 63 9.469 4.378 8.608 1.00 0.00 H new ATOM 0 HG12 ILE A 63 12.010 5.874 9.424 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.037 4.290 8.674 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.265 6.848 8.834 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.385 6.013 10.135 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.968 6.756 10.466 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.292 6.073 6.967 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.772 5.181 6.715 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.745 6.789 7.476 1.00 0.00 H new ATOM 1003 N LEU A 64 8.087 2.881 10.462 1.00 0.00 N ATOM 1004 CA LEU A 64 6.737 2.525 10.892 1.00 0.00 C ATOM 1005 C LEU A 64 6.782 1.656 12.148 1.00 0.00 C ATOM 1006 O LEU A 64 5.935 1.777 13.029 1.00 0.00 O ATOM 1007 CB LEU A 64 6.005 1.795 9.757 1.00 0.00 C ATOM 1008 CG LEU A 64 4.496 1.673 10.077 1.00 0.00 C ATOM 1009 CD1 LEU A 64 3.818 3.075 10.072 1.00 0.00 C ATOM 1010 CD2 LEU A 64 3.817 0.758 9.035 1.00 0.00 C ATOM 0 H LEU A 64 8.388 2.434 9.596 1.00 0.00 H new ATOM 0 HA LEU A 64 6.193 3.438 11.133 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.142 2.336 8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.435 0.803 9.618 1.00 0.00 H new ATOM 0 HG LEU A 64 4.384 1.239 11.071 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.757 2.967 10.299 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.288 3.709 10.824 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.934 3.532 9.089 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.754 0.674 9.262 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.942 1.184 8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.274 -0.231 9.066 1.00 0.00 H new ATOM 1022 N GLY A 65 7.773 0.774 12.222 1.00 0.00 N ATOM 1023 CA GLY A 65 7.907 -0.111 13.375 1.00 0.00 C ATOM 1024 C GLY A 65 7.980 0.690 14.672 1.00 0.00 C ATOM 1025 O GLY A 65 7.362 0.327 15.671 1.00 0.00 O ATOM 0 H GLY A 65 8.489 0.653 11.506 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.060 -0.796 13.413 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.805 -0.720 13.268 1.00 0.00 H new ATOM 1029 N GLN A 66 8.733 1.782 14.647 1.00 0.00 N ATOM 1030 CA GLN A 66 8.872 2.629 15.827 1.00 0.00 C ATOM 1031 C GLN A 66 7.532 3.273 16.186 1.00 0.00 C ATOM 1032 O GLN A 66 7.258 3.539 17.357 1.00 0.00 O ATOM 1033 CB GLN A 66 9.919 3.721 15.566 1.00 0.00 C ATOM 1034 CG GLN A 66 11.314 3.097 15.487 1.00 0.00 C ATOM 1035 CD GLN A 66 12.337 4.161 15.106 1.00 0.00 C ATOM 1036 OE1 GLN A 66 12.360 5.240 15.697 1.00 0.00 O ATOM 1037 NE2 GLN A 66 13.187 3.922 14.145 1.00 0.00 N ATOM 0 H GLN A 66 9.254 2.101 13.830 1.00 0.00 H new ATOM 0 HA GLN A 66 9.197 2.009 16.663 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.691 4.241 14.636 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.888 4.464 16.363 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.578 2.653 16.447 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.321 2.293 14.751 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.166 3.027 13.657 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.872 4.630 13.882 1.00 0.00 H new ATOM 1046 N THR A 67 6.705 3.531 15.176 1.00 0.00 N ATOM 1047 CA THR A 67 5.405 4.153 15.411 1.00 0.00 C ATOM 1048 C THR A 67 4.533 3.257 16.285 1.00 0.00 C ATOM 1049 O THR A 67 3.912 3.721 17.240 1.00 0.00 O ATOM 1050 CB THR A 67 4.699 4.420 14.074 1.00 0.00 C ATOM 1051 OG1 THR A 67 5.593 5.081 13.192 1.00 0.00 O ATOM 1052 CG2 THR A 67 3.465 5.297 14.301 1.00 0.00 C ATOM 0 H THR A 67 6.908 3.322 14.199 1.00 0.00 H new ATOM 0 HA THR A 67 5.564 5.099 15.928 1.00 0.00 H new ATOM 0 HB THR A 67 4.388 3.471 13.638 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.144 5.250 12.338 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.970 5.482 13.348 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.776 4.788 14.975 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.769 6.246 14.742 1.00 0.00 H new ATOM 1060 N TYR A 68 4.492 1.967 15.952 1.00 0.00 N ATOM 1061 CA TYR A 68 3.695 0.996 16.712 1.00 0.00 C ATOM 1062 C TYR A 68 4.534 0.363 17.816 1.00 0.00 C ATOM 1063 O TYR A 68 4.055 -0.498 18.552 1.00 0.00 O ATOM 1064 CB TYR A 68 3.174 -0.097 15.771 1.00 0.00 C ATOM 1065 CG TYR A 68 2.175 0.502 14.802 1.00 0.00 C ATOM 1066 CD1 TYR A 68 2.605 0.999 13.568 1.00 0.00 C ATOM 1067 CD2 TYR A 68 0.817 0.563 15.145 1.00 0.00 C ATOM 1068 CE1 TYR A 68 1.681 1.555 12.676 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -0.106 1.119 14.253 1.00 0.00 C ATOM 1070 CZ TYR A 68 0.325 1.616 13.019 1.00 0.00 C ATOM 1071 OH TYR A 68 -0.585 2.166 12.138 1.00 0.00 O ATOM 0 H TYR A 68 5.000 1.568 15.163 1.00 0.00 H new ATOM 0 HA TYR A 68 2.853 1.518 17.167 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.003 -0.546 15.224 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.704 -0.894 16.347 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.651 0.954 13.303 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.483 0.181 16.098 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.014 1.937 11.722 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.152 1.164 14.518 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.483 2.130 12.530 1.00 0.00 H new ATOM 1081 N ASP A 69 5.785 0.797 17.932 1.00 0.00 N ATOM 1082 CA ASP A 69 6.673 0.264 18.959 1.00 0.00 C ATOM 1083 C ASP A 69 6.740 -1.256 18.880 1.00 0.00 C ATOM 1084 O ASP A 69 6.536 -1.947 19.878 1.00 0.00 O ATOM 1085 CB ASP A 69 6.176 0.678 20.346 1.00 0.00 C ATOM 1086 CG ASP A 69 7.189 0.269 21.415 1.00 0.00 C ATOM 1087 OD1 ASP A 69 8.138 -0.420 21.079 1.00 0.00 O ATOM 1088 OD2 ASP A 69 6.995 0.651 22.558 1.00 0.00 O ATOM 0 H ASP A 69 6.204 1.509 17.334 1.00 0.00 H new ATOM 0 HA ASP A 69 7.671 0.670 18.790 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.019 1.756 20.377 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.213 0.210 20.550 1.00 0.00 H new ATOM 1093 N ALA A 70 7.025 -1.774 17.686 1.00 0.00 N ATOM 1094 CA ALA A 70 7.115 -3.224 17.474 1.00 0.00 C ATOM 1095 C ALA A 70 8.244 -3.545 16.501 1.00 0.00 C ATOM 1096 O ALA A 70 8.682 -2.683 15.739 1.00 0.00 O ATOM 1097 CB ALA A 70 5.789 -3.753 16.926 1.00 0.00 C ATOM 0 H ALA A 70 7.198 -1.215 16.850 1.00 0.00 H new ATOM 0 HA ALA A 70 7.325 -3.707 18.428 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.863 -4.829 16.771 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.991 -3.543 17.638 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.566 -3.264 15.977 1.00 0.00 H new ATOM 1103 N ASP A 71 8.721 -4.785 16.544 1.00 0.00 N ATOM 1104 CA ASP A 71 9.810 -5.204 15.672 1.00 0.00 C ATOM 1105 C ASP A 71 9.444 -4.952 14.200 1.00 0.00 C ATOM 1106 O ASP A 71 8.290 -5.113 13.826 1.00 0.00 O ATOM 1107 CB ASP A 71 10.097 -6.701 15.888 1.00 0.00 C ATOM 1108 CG ASP A 71 10.843 -6.915 17.205 1.00 0.00 C ATOM 1109 OD1 ASP A 71 10.895 -5.983 17.991 1.00 0.00 O ATOM 1110 OD2 ASP A 71 11.350 -8.006 17.405 1.00 0.00 O ATOM 0 H ASP A 71 8.373 -5.512 17.169 1.00 0.00 H new ATOM 0 HA ASP A 71 10.700 -4.624 15.915 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.161 -7.260 15.898 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.690 -7.087 15.059 1.00 0.00 H new ATOM 1115 N PRO A 72 10.390 -4.566 13.364 1.00 0.00 N ATOM 1116 CA PRO A 72 10.122 -4.288 11.913 1.00 0.00 C ATOM 1117 C PRO A 72 9.725 -5.549 11.144 1.00 0.00 C ATOM 1118 O PRO A 72 8.992 -5.477 10.157 1.00 0.00 O ATOM 1119 CB PRO A 72 11.463 -3.711 11.402 1.00 0.00 C ATOM 1120 CG PRO A 72 12.491 -4.280 12.328 1.00 0.00 C ATOM 1121 CD PRO A 72 11.811 -4.365 13.693 1.00 0.00 C ATOM 0 HA PRO A 72 9.282 -3.608 11.771 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.653 -4.003 10.369 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.463 -2.621 11.430 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.820 -5.263 11.992 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.376 -3.645 12.370 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.205 -5.190 14.286 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.963 -3.455 14.273 1.00 0.00 H new ATOM 1129 N ALA A 73 10.225 -6.694 11.594 1.00 0.00 N ATOM 1130 CA ALA A 73 9.931 -7.959 10.929 1.00 0.00 C ATOM 1131 C ALA A 73 8.436 -8.178 10.818 1.00 0.00 C ATOM 1132 O ALA A 73 7.944 -8.735 9.837 1.00 0.00 O ATOM 1133 CB ALA A 73 10.571 -9.117 11.696 1.00 0.00 C ATOM 0 H ALA A 73 10.831 -6.773 12.410 1.00 0.00 H new ATOM 0 HA ALA A 73 10.348 -7.919 9.923 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.345 -10.056 11.191 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.651 -8.976 11.734 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.173 -9.146 12.710 1.00 0.00 H new ATOM 1139 N ILE A 74 7.718 -7.756 11.837 1.00 0.00 N ATOM 1140 CA ILE A 74 6.277 -7.918 11.858 1.00 0.00 C ATOM 1141 C ILE A 74 5.603 -6.999 10.837 1.00 0.00 C ATOM 1142 O ILE A 74 4.690 -7.416 10.128 1.00 0.00 O ATOM 1143 CB ILE A 74 5.772 -7.596 13.259 1.00 0.00 C ATOM 1144 CG1 ILE A 74 6.590 -8.404 14.293 1.00 0.00 C ATOM 1145 CG2 ILE A 74 4.281 -7.949 13.362 1.00 0.00 C ATOM 1146 CD1 ILE A 74 6.556 -9.915 14.002 1.00 0.00 C ATOM 0 H ILE A 74 8.107 -7.298 12.662 1.00 0.00 H new ATOM 0 HA ILE A 74 6.030 -8.946 11.593 1.00 0.00 H new ATOM 0 HB ILE A 74 5.894 -6.532 13.462 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.623 -8.057 14.289 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.196 -8.218 15.292 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.921 -7.718 14.365 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.718 -7.368 12.632 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.144 -9.012 13.163 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.143 -10.443 14.753 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.525 -10.268 14.033 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.975 -10.105 13.014 1.00 0.00 H new ATOM 1158 N ILE A 75 6.047 -5.743 10.783 1.00 0.00 N ATOM 1159 CA ILE A 75 5.455 -4.768 9.862 1.00 0.00 C ATOM 1160 C ILE A 75 5.639 -5.197 8.408 1.00 0.00 C ATOM 1161 O ILE A 75 4.680 -5.214 7.639 1.00 0.00 O ATOM 1162 CB ILE A 75 6.108 -3.375 10.079 1.00 0.00 C ATOM 1163 CG1 ILE A 75 5.510 -2.696 11.328 1.00 0.00 C ATOM 1164 CG2 ILE A 75 5.880 -2.458 8.854 1.00 0.00 C ATOM 1165 CD1 ILE A 75 5.705 -3.589 12.553 1.00 0.00 C ATOM 0 H ILE A 75 6.806 -5.378 11.358 1.00 0.00 H new ATOM 0 HA ILE A 75 4.387 -4.712 10.070 1.00 0.00 H new ATOM 0 HB ILE A 75 7.179 -3.528 10.215 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.989 -1.731 11.492 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.448 -2.503 11.174 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.347 -1.490 9.032 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.322 -2.916 7.969 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.810 -2.321 8.696 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.280 -3.101 13.430 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.205 -4.544 12.390 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.770 -3.760 12.713 1.00 0.00 H new ATOM 1177 N GLU A 76 6.872 -5.506 8.029 1.00 0.00 N ATOM 1178 CA GLU A 76 7.146 -5.882 6.651 1.00 0.00 C ATOM 1179 C GLU A 76 6.332 -7.113 6.273 1.00 0.00 C ATOM 1180 O GLU A 76 5.736 -7.168 5.197 1.00 0.00 O ATOM 1181 CB GLU A 76 8.646 -6.139 6.461 1.00 0.00 C ATOM 1182 CG GLU A 76 9.106 -7.279 7.367 1.00 0.00 C ATOM 1183 CD GLU A 76 10.624 -7.392 7.341 1.00 0.00 C ATOM 1184 OE1 GLU A 76 11.274 -6.361 7.383 1.00 0.00 O ATOM 1185 OE2 GLU A 76 11.111 -8.506 7.277 1.00 0.00 O ATOM 0 H GLU A 76 7.685 -5.504 8.645 1.00 0.00 H new ATOM 0 HA GLU A 76 6.854 -5.063 5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.850 -6.388 5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.209 -5.234 6.689 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.765 -7.103 8.387 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.659 -8.217 7.039 1.00 0.00 H new ATOM 1192 N ALA A 77 6.305 -8.091 7.166 1.00 0.00 N ATOM 1193 CA ALA A 77 5.557 -9.317 6.932 1.00 0.00 C ATOM 1194 C ALA A 77 4.055 -9.047 6.919 1.00 0.00 C ATOM 1195 O ALA A 77 3.290 -9.830 6.365 1.00 0.00 O ATOM 1196 CB ALA A 77 5.894 -10.343 8.008 1.00 0.00 C ATOM 0 H ALA A 77 6.793 -8.059 8.061 1.00 0.00 H new ATOM 0 HA ALA A 77 5.840 -9.711 5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.331 -11.258 7.827 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.961 -10.562 7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.631 -9.943 8.987 1.00 0.00 H new ATOM 1202 N ASP A 78 3.638 -7.953 7.565 1.00 0.00 N ATOM 1203 CA ASP A 78 2.213 -7.594 7.636 1.00 0.00 C ATOM 1204 C ASP A 78 1.736 -6.908 6.352 1.00 0.00 C ATOM 1205 O ASP A 78 0.680 -7.242 5.817 1.00 0.00 O ATOM 1206 CB ASP A 78 1.969 -6.661 8.824 1.00 0.00 C ATOM 1207 CG ASP A 78 0.471 -6.417 9.013 1.00 0.00 C ATOM 1208 OD1 ASP A 78 -0.296 -6.840 8.163 1.00 0.00 O ATOM 1209 OD2 ASP A 78 0.114 -5.812 10.012 1.00 0.00 O ATOM 0 H ASP A 78 4.261 -7.303 8.044 1.00 0.00 H new ATOM 0 HA ASP A 78 1.648 -8.518 7.761 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.390 -7.098 9.730 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.480 -5.712 8.660 1.00 0.00 H new ATOM 1214 N ILE A 79 2.516 -5.934 5.874 1.00 0.00 N ATOM 1215 CA ILE A 79 2.159 -5.188 4.661 1.00 0.00 C ATOM 1216 C ILE A 79 2.311 -6.059 3.417 1.00 0.00 C ATOM 1217 O ILE A 79 1.466 -6.020 2.525 1.00 0.00 O ATOM 1218 CB ILE A 79 3.030 -3.925 4.553 1.00 0.00 C ATOM 1219 CG1 ILE A 79 4.504 -4.336 4.447 1.00 0.00 C ATOM 1220 CG2 ILE A 79 2.813 -3.064 5.810 1.00 0.00 C ATOM 1221 CD1 ILE A 79 5.419 -3.105 4.481 1.00 0.00 C ATOM 0 H ILE A 79 3.394 -5.644 6.305 1.00 0.00 H new ATOM 0 HA ILE A 79 1.112 -4.891 4.729 1.00 0.00 H new ATOM 0 HB ILE A 79 2.755 -3.352 3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.759 -5.006 5.268 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.666 -4.889 3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.426 -2.165 5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.762 -2.783 5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.097 -3.634 6.695 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.459 -3.422 4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.177 -2.449 3.645 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.272 -2.568 5.418 1.00 0.00 H new ATOM 1233 N LEU A 80 3.383 -6.854 3.363 1.00 0.00 N ATOM 1234 CA LEU A 80 3.619 -7.740 2.219 1.00 0.00 C ATOM 1235 C LEU A 80 2.304 -8.429 1.774 1.00 0.00 C ATOM 1236 O LEU A 80 1.851 -8.208 0.650 1.00 0.00 O ATOM 1237 CB LEU A 80 4.732 -8.776 2.570 1.00 0.00 C ATOM 1238 CG LEU A 80 6.148 -8.262 2.189 1.00 0.00 C ATOM 1239 CD1 LEU A 80 7.210 -9.022 3.003 1.00 0.00 C ATOM 1240 CD2 LEU A 80 6.425 -8.508 0.692 1.00 0.00 C ATOM 0 H LEU A 80 4.096 -6.903 4.091 1.00 0.00 H new ATOM 0 HA LEU A 80 3.968 -7.147 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.701 -8.994 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.534 -9.712 2.048 1.00 0.00 H new ATOM 0 HG LEU A 80 6.193 -7.194 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.202 -8.660 2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.040 -8.857 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.141 -10.088 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.421 -8.142 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.367 -9.576 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.683 -7.980 0.093 1.00 0.00 H new ATOM 1252 N PRO A 81 1.667 -9.213 2.626 1.00 0.00 N ATOM 1253 CA PRO A 81 0.372 -9.875 2.296 1.00 0.00 C ATOM 1254 C PRO A 81 -0.568 -8.951 1.512 1.00 0.00 C ATOM 1255 O PRO A 81 -1.246 -9.384 0.578 1.00 0.00 O ATOM 1256 CB PRO A 81 -0.237 -10.189 3.686 1.00 0.00 C ATOM 1257 CG PRO A 81 0.927 -10.289 4.638 1.00 0.00 C ATOM 1258 CD PRO A 81 2.128 -9.585 3.968 1.00 0.00 C ATOM 0 HA PRO A 81 0.515 -10.752 1.665 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.928 -9.404 3.995 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -0.803 -11.120 3.663 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.687 -9.816 5.590 1.00 0.00 H new ATOM 0 HG3 PRO A 81 1.162 -11.332 4.850 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.434 -8.706 4.535 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.992 -10.247 3.916 1.00 0.00 H new ATOM 1266 N MET A 82 -0.612 -7.686 1.918 1.00 0.00 N ATOM 1267 CA MET A 82 -1.483 -6.716 1.268 1.00 0.00 C ATOM 1268 C MET A 82 -1.044 -6.481 -0.174 1.00 0.00 C ATOM 1269 O MET A 82 -1.873 -6.346 -1.069 1.00 0.00 O ATOM 1270 CB MET A 82 -1.461 -5.383 2.036 1.00 0.00 C ATOM 1271 CG MET A 82 -2.609 -4.482 1.559 1.00 0.00 C ATOM 1272 SD MET A 82 -4.177 -5.147 2.170 1.00 0.00 S ATOM 1273 CE MET A 82 -5.208 -3.746 1.690 1.00 0.00 C ATOM 0 H MET A 82 -0.059 -7.312 2.689 1.00 0.00 H new ATOM 0 HA MET A 82 -2.497 -7.116 1.268 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.554 -5.569 3.106 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.506 -4.881 1.882 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.465 -3.465 1.923 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.620 -4.432 0.470 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.243 -4.074 1.588 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.146 -2.970 2.453 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.859 -3.347 0.738 1.00 0.00 H new ATOM 1283 N LEU A 83 0.262 -6.423 -0.387 1.00 0.00 N ATOM 1284 CA LEU A 83 0.785 -6.187 -1.727 1.00 0.00 C ATOM 1285 C LEU A 83 0.354 -7.310 -2.661 1.00 0.00 C ATOM 1286 O LEU A 83 0.003 -7.065 -3.816 1.00 0.00 O ATOM 1287 CB LEU A 83 2.314 -6.090 -1.687 1.00 0.00 C ATOM 1288 CG LEU A 83 2.754 -5.092 -0.601 1.00 0.00 C ATOM 1289 CD1 LEU A 83 4.282 -4.976 -0.617 1.00 0.00 C ATOM 1290 CD2 LEU A 83 2.124 -3.704 -0.852 1.00 0.00 C ATOM 0 H LEU A 83 0.971 -6.534 0.338 1.00 0.00 H new ATOM 0 HA LEU A 83 0.384 -5.245 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.743 -7.071 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.691 -5.771 -2.659 1.00 0.00 H new ATOM 0 HG LEU A 83 2.418 -5.453 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.601 -4.270 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.723 -5.953 -0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.610 -4.622 -1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.447 -3.012 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.443 -3.330 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.037 -3.789 -0.834 1.00 0.00 H new ATOM 1302 N ALA A 84 0.366 -8.536 -2.155 1.00 0.00 N ATOM 1303 CA ALA A 84 -0.044 -9.683 -2.956 1.00 0.00 C ATOM 1304 C ALA A 84 -1.515 -9.552 -3.344 1.00 0.00 C ATOM 1305 O ALA A 84 -1.908 -9.892 -4.460 1.00 0.00 O ATOM 1306 CB ALA A 84 0.174 -10.974 -2.163 1.00 0.00 C ATOM 0 H ALA A 84 0.652 -8.762 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 84 0.558 -9.716 -3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.134 -11.828 -2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.230 -11.071 -1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.418 -10.944 -1.248 1.00 0.00 H new ATOM 1312 N GLY A 85 -2.323 -9.054 -2.410 1.00 0.00 N ATOM 1313 CA GLY A 85 -3.754 -8.875 -2.653 1.00 0.00 C ATOM 1314 C GLY A 85 -4.012 -7.766 -3.669 1.00 0.00 C ATOM 1315 O GLY A 85 -4.905 -7.874 -4.504 1.00 0.00 O ATOM 0 H GLY A 85 -2.013 -8.768 -1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.183 -9.809 -3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.257 -8.636 -1.716 1.00 0.00 H new ATOM 1319 N LEU A 86 -3.234 -6.695 -3.585 1.00 0.00 N ATOM 1320 CA LEU A 86 -3.393 -5.568 -4.499 1.00 0.00 C ATOM 1321 C LEU A 86 -3.033 -5.971 -5.929 1.00 0.00 C ATOM 1322 O LEU A 86 -3.705 -5.574 -6.880 1.00 0.00 O ATOM 1323 CB LEU A 86 -2.501 -4.404 -4.044 1.00 0.00 C ATOM 1324 CG LEU A 86 -3.033 -3.804 -2.722 1.00 0.00 C ATOM 1325 CD1 LEU A 86 -1.988 -2.832 -2.159 1.00 0.00 C ATOM 1326 CD2 LEU A 86 -4.372 -3.053 -2.949 1.00 0.00 C ATOM 0 H LEU A 86 -2.489 -6.581 -2.897 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.437 -5.255 -4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.478 -4.753 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.474 -3.635 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.214 -4.615 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.355 -2.404 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.057 -3.367 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.809 -2.034 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.723 -2.641 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.219 -2.243 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.116 -3.746 -3.341 1.00 0.00 H new ATOM 1338 N ALA A 87 -1.976 -6.757 -6.073 1.00 0.00 N ATOM 1339 CA ALA A 87 -1.538 -7.200 -7.394 1.00 0.00 C ATOM 1340 C ALA A 87 -2.689 -7.861 -8.152 1.00 0.00 C ATOM 1341 O ALA A 87 -2.725 -7.844 -9.382 1.00 0.00 O ATOM 1342 CB ALA A 87 -0.382 -8.195 -7.251 1.00 0.00 C ATOM 0 H ALA A 87 -1.407 -7.101 -5.299 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.204 -6.328 -7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.059 -8.522 -8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.451 -7.714 -6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.714 -9.058 -6.674 1.00 0.00 H new ATOM 1348 N GLN A 88 -3.624 -8.445 -7.409 1.00 0.00 N ATOM 1349 CA GLN A 88 -4.769 -9.111 -8.023 1.00 0.00 C ATOM 1350 C GLN A 88 -5.621 -8.111 -8.801 1.00 0.00 C ATOM 1351 O GLN A 88 -6.318 -8.480 -9.745 1.00 0.00 O ATOM 1352 CB GLN A 88 -5.625 -9.778 -6.949 1.00 0.00 C ATOM 1353 CG GLN A 88 -4.779 -10.803 -6.192 1.00 0.00 C ATOM 1354 CD GLN A 88 -5.593 -11.418 -5.060 1.00 0.00 C ATOM 1355 OE1 GLN A 88 -6.411 -10.738 -4.441 1.00 0.00 O ATOM 1356 NE2 GLN A 88 -5.414 -12.672 -4.751 1.00 0.00 N ATOM 0 H GLN A 88 -3.613 -8.471 -6.389 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.394 -9.867 -8.712 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.012 -9.028 -6.259 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.486 -10.266 -7.405 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.442 -11.584 -6.874 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.886 -10.324 -5.790 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -4.735 -13.232 -5.266 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.953 -13.093 -3.994 1.00 0.00 H new ATOM 1365 N LYS A 89 -5.570 -6.842 -8.389 1.00 0.00 N ATOM 1366 CA LYS A 89 -6.351 -5.784 -9.044 1.00 0.00 C ATOM 1367 C LYS A 89 -5.516 -5.086 -10.107 1.00 0.00 C ATOM 1368 O LYS A 89 -6.002 -4.196 -10.803 1.00 0.00 O ATOM 1369 CB LYS A 89 -6.811 -4.756 -8.007 1.00 0.00 C ATOM 1370 CG LYS A 89 -7.675 -5.449 -6.942 1.00 0.00 C ATOM 1371 CD LYS A 89 -8.361 -4.404 -6.050 1.00 0.00 C ATOM 1372 CE LYS A 89 -7.317 -3.555 -5.308 1.00 0.00 C ATOM 1373 NZ LYS A 89 -7.971 -2.858 -4.168 1.00 0.00 N ATOM 0 H LYS A 89 -4.999 -6.520 -7.608 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.220 -6.241 -9.517 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.947 -4.285 -7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.381 -3.964 -8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.426 -6.075 -7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.055 -6.107 -6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.996 -3.759 -6.658 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.010 -4.903 -5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.507 -4.188 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.873 -2.828 -5.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.381 -2.057 -3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.904 -2.508 -4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.086 -3.521 -3.375 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.261 -5.504 -10.230 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.357 -4.928 -11.220 1.00 0.00 C ATOM 1389 C ARG A 90 -3.078 -3.458 -10.902 1.00 0.00 C ATOM 1390 O ARG A 90 -2.713 -2.678 -11.778 1.00 0.00 O ATOM 1391 CB ARG A 90 -3.980 -5.064 -12.626 1.00 0.00 C ATOM 1392 CG ARG A 90 -2.890 -5.013 -13.704 1.00 0.00 C ATOM 1393 CD ARG A 90 -3.541 -5.006 -15.083 1.00 0.00 C ATOM 1394 NE ARG A 90 -2.519 -5.125 -16.115 1.00 0.00 N ATOM 1395 CZ ARG A 90 -2.794 -4.888 -17.391 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -1.857 -5.009 -18.290 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -4.001 -4.533 -17.746 1.00 0.00 N ATOM 0 H ARG A 90 -3.846 -6.239 -9.657 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.410 -5.467 -11.193 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.527 -6.004 -12.698 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.700 -4.262 -12.790 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.277 -4.121 -13.575 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.227 -5.873 -13.607 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.250 -5.830 -15.164 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.106 -4.085 -15.223 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.572 -5.396 -15.851 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.915 -5.285 -18.011 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.066 -4.827 -19.272 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.733 -4.438 -17.042 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.211 -4.351 -18.727 1.00 0.00 H new ATOM 1411 N VAL A 91 -3.255 -3.081 -9.640 1.00 0.00 N ATOM 1412 CA VAL A 91 -3.020 -1.697 -9.221 1.00 0.00 C ATOM 1413 C VAL A 91 -1.614 -1.548 -8.666 1.00 0.00 C ATOM 1414 O VAL A 91 -1.189 -0.442 -8.333 1.00 0.00 O ATOM 1415 CB VAL A 91 -4.044 -1.292 -8.152 1.00 0.00 C ATOM 1416 CG1 VAL A 91 -5.459 -1.470 -8.713 1.00 0.00 C ATOM 1417 CG2 VAL A 91 -3.870 -2.169 -6.902 1.00 0.00 C ATOM 0 H VAL A 91 -3.558 -3.706 -8.893 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.130 -1.046 -10.088 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.887 -0.249 -7.878 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.189 -1.183 -7.956 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.583 -0.840 -9.594 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.613 -2.513 -8.988 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.600 -1.876 -6.147 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.022 -3.215 -7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.864 -2.039 -6.503 1.00 0.00 H new ATOM 1427 N LEU A 92 -0.892 -2.673 -8.561 1.00 0.00 N ATOM 1428 CA LEU A 92 0.472 -2.665 -8.028 1.00 0.00 C ATOM 1429 C LEU A 92 1.475 -2.931 -9.157 1.00 0.00 C ATOM 1430 O LEU A 92 1.419 -3.967 -9.823 1.00 0.00 O ATOM 1431 CB LEU A 92 0.575 -3.755 -6.929 1.00 0.00 C ATOM 1432 CG LEU A 92 1.624 -3.367 -5.859 1.00 0.00 C ATOM 1433 CD1 LEU A 92 2.978 -3.068 -6.530 1.00 0.00 C ATOM 1434 CD2 LEU A 92 1.146 -2.122 -5.044 1.00 0.00 C ATOM 0 H LEU A 92 -1.231 -3.595 -8.838 1.00 0.00 H new ATOM 0 HA LEU A 92 0.705 -1.692 -7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.398 -3.893 -6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.848 -4.708 -7.382 1.00 0.00 H new ATOM 0 HG LEU A 92 1.743 -4.206 -5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.709 -2.796 -5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.323 -3.953 -7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.862 -2.243 -7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.897 -1.866 -4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.003 -1.278 -5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.204 -2.353 -4.546 1.00 0.00 H new ATOM 1446 N GLU A 93 2.392 -1.986 -9.354 1.00 0.00 N ATOM 1447 CA GLU A 93 3.429 -2.086 -10.383 1.00 0.00 C ATOM 1448 C GLU A 93 4.754 -2.507 -9.750 1.00 0.00 C ATOM 1449 O GLU A 93 4.865 -2.614 -8.531 1.00 0.00 O ATOM 1450 CB GLU A 93 3.590 -0.736 -11.092 1.00 0.00 C ATOM 1451 CG GLU A 93 3.715 0.377 -10.048 1.00 0.00 C ATOM 1452 CD GLU A 93 4.074 1.701 -10.719 1.00 0.00 C ATOM 1453 OE1 GLU A 93 4.362 1.688 -11.904 1.00 0.00 O ATOM 1454 OE2 GLU A 93 4.064 2.708 -10.031 1.00 0.00 O ATOM 0 H GLU A 93 2.438 -1.128 -8.805 1.00 0.00 H new ATOM 0 HA GLU A 93 3.134 -2.838 -11.115 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.473 -0.751 -11.730 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.733 -0.548 -11.739 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.776 0.481 -9.504 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.479 0.114 -9.317 1.00 0.00 H new ATOM 1461 N ARG A 94 5.746 -2.743 -10.592 1.00 0.00 N ATOM 1462 CA ARG A 94 7.061 -3.154 -10.132 1.00 0.00 C ATOM 1463 C ARG A 94 8.060 -3.025 -11.277 1.00 0.00 C ATOM 1464 O ARG A 94 9.080 -2.386 -11.077 1.00 0.00 O ATOM 1465 CB ARG A 94 7.010 -4.610 -9.664 1.00 0.00 C ATOM 1466 CG ARG A 94 8.362 -5.018 -9.072 1.00 0.00 C ATOM 1467 CD ARG A 94 8.308 -6.480 -8.646 1.00 0.00 C ATOM 1468 NE ARG A 94 8.133 -7.342 -9.816 1.00 0.00 N ATOM 1469 CZ ARG A 94 9.158 -7.650 -10.610 1.00 0.00 C ATOM 1470 NH1 ARG A 94 8.974 -8.431 -11.638 1.00 0.00 N ATOM 1471 NH2 ARG A 94 10.344 -7.169 -10.359 1.00 0.00 N ATOM 1472 OXT ARG A 94 7.789 -3.567 -12.336 1.00 0.00 O ATOM 0 H ARG A 94 5.664 -2.656 -11.605 1.00 0.00 H new ATOM 0 HA ARG A 94 7.370 -2.518 -9.302 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.225 -4.733 -8.918 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.759 -5.261 -10.501 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.153 -4.871 -9.808 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.602 -4.387 -8.216 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.226 -6.748 -8.122 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.486 -6.632 -7.947 1.00 0.00 H new ATOM 0 HE ARG A 94 7.207 -7.715 -10.028 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.046 -8.806 -11.834 1.00 0.00 H new ATOM 0 HH12 ARG A 94 9.758 -8.667 -12.246 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.487 -6.557 -9.555 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.129 -7.404 -10.966 1.00 0.00 H new TER 1486 ARG A 94