USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 434 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 49 CYS SG : rot 42:sc= 0.48 USER MOD Set 1.2: A 50 ASN : amide:sc= 0.403 K(o=0.88,f=-2.6!) USER MOD Set 2.1: A 24 HIS : no HE2:sc= -1.95 K(o=-1.8,f=-2.9!) USER MOD Set 2.2: A 25 THR OG1 : rot -124:sc= 0.114 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 19:sc= 0.323 USER MOD Single : A 9 SER OG : rot 180:sc= -0.923 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 159:sc= -0.081 (180deg=-0.758) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -77:sc= 0.18 USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= -0.0556 (180deg=-0.343) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.345 X(o=-0.34,f=0.086) USER MOD Single : A 48 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 53 SER OG : rot -14:sc= 0.505 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.187 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.959 5.777 -9.877 1.00 0.00 N ATOM 2 CA GLY A 1 -22.401 6.185 -11.153 1.00 0.00 C ATOM 3 C GLY A 1 -23.286 5.803 -12.322 1.00 0.00 C ATOM 4 O GLY A 1 -24.064 6.621 -12.814 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.316 6.061 -9.110 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.884 6.233 -9.741 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.077 4.744 -9.864 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.252 7.265 -11.152 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.420 5.728 -11.280 1.00 0.00 H new ATOM 8 N SER A 2 -23.167 4.558 -12.770 1.00 0.00 N ATOM 9 CA SER A 2 -23.960 4.070 -13.893 1.00 0.00 C ATOM 10 C SER A 2 -24.559 2.702 -13.582 1.00 0.00 C ATOM 11 O SER A 2 -24.005 1.933 -12.797 1.00 0.00 O ATOM 12 CB SER A 2 -23.098 3.987 -15.155 1.00 0.00 C ATOM 13 OG SER A 2 -23.016 5.246 -15.800 1.00 0.00 O ATOM 0 H SER A 2 -22.529 3.868 -12.373 1.00 0.00 H new ATOM 0 HA SER A 2 -24.775 4.774 -14.063 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.097 3.643 -14.894 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.520 3.251 -15.839 1.00 0.00 H new ATOM 0 HG SER A 2 -22.459 5.167 -16.602 1.00 0.00 H new ATOM 19 N SER A 3 -25.696 2.406 -14.205 1.00 0.00 N ATOM 20 CA SER A 3 -26.374 1.133 -13.992 1.00 0.00 C ATOM 21 C SER A 3 -25.440 -0.037 -14.290 1.00 0.00 C ATOM 22 O SER A 3 -24.837 -0.107 -15.360 1.00 0.00 O ATOM 23 CB SER A 3 -27.621 1.042 -14.874 1.00 0.00 C ATOM 24 OG SER A 3 -28.751 1.590 -14.217 1.00 0.00 O ATOM 0 H SER A 3 -26.166 3.030 -14.861 1.00 0.00 H new ATOM 0 HA SER A 3 -26.673 1.079 -12.945 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.448 1.573 -15.810 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.815 0.000 -15.129 1.00 0.00 H new ATOM 0 HG SER A 3 -29.534 1.522 -14.802 1.00 0.00 H new ATOM 30 N GLY A 4 -25.327 -0.954 -13.334 1.00 0.00 N ATOM 31 CA GLY A 4 -24.465 -2.108 -13.511 1.00 0.00 C ATOM 32 C GLY A 4 -24.112 -2.775 -12.197 1.00 0.00 C ATOM 33 O GLY A 4 -24.914 -3.523 -11.638 1.00 0.00 O ATOM 0 H GLY A 4 -25.817 -0.918 -12.440 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.959 -2.831 -14.160 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.549 -1.800 -14.016 1.00 0.00 H new ATOM 37 N SER A 5 -22.908 -2.506 -11.704 1.00 0.00 N ATOM 38 CA SER A 5 -22.447 -3.091 -10.449 1.00 0.00 C ATOM 39 C SER A 5 -21.466 -2.159 -9.744 1.00 0.00 C ATOM 40 O SER A 5 -20.455 -1.755 -10.317 1.00 0.00 O ATOM 41 CB SER A 5 -21.786 -4.446 -10.706 1.00 0.00 C ATOM 42 OG SER A 5 -21.341 -5.034 -9.496 1.00 0.00 O ATOM 0 H SER A 5 -22.233 -1.887 -12.154 1.00 0.00 H new ATOM 0 HA SER A 5 -23.313 -3.234 -9.803 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.494 -5.112 -11.199 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.942 -4.320 -11.384 1.00 0.00 H new ATOM 0 HG SER A 5 -20.924 -5.900 -9.687 1.00 0.00 H new ATOM 48 N SER A 6 -21.774 -1.822 -8.495 1.00 0.00 N ATOM 49 CA SER A 6 -20.922 -0.935 -7.711 1.00 0.00 C ATOM 50 C SER A 6 -20.029 -1.735 -6.767 1.00 0.00 C ATOM 51 O SER A 6 -20.420 -2.052 -5.645 1.00 0.00 O ATOM 52 CB SER A 6 -21.776 0.050 -6.911 1.00 0.00 C ATOM 53 OG SER A 6 -22.288 1.075 -7.745 1.00 0.00 O ATOM 0 H SER A 6 -22.606 -2.150 -8.005 1.00 0.00 H new ATOM 0 HA SER A 6 -20.287 -0.378 -8.400 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.600 -0.481 -6.435 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.178 0.491 -6.113 1.00 0.00 H new ATOM 0 HG SER A 6 -22.832 1.691 -7.210 1.00 0.00 H new ATOM 59 N GLY A 7 -18.826 -2.057 -7.232 1.00 0.00 N ATOM 60 CA GLY A 7 -17.895 -2.816 -6.418 1.00 0.00 C ATOM 61 C GLY A 7 -16.772 -1.959 -5.868 1.00 0.00 C ATOM 62 O GLY A 7 -16.434 -2.050 -4.688 1.00 0.00 O ATOM 0 H GLY A 7 -18.480 -1.806 -8.158 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.434 -3.278 -5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.472 -3.625 -7.014 1.00 0.00 H new ATOM 66 N SER A 8 -16.193 -1.124 -6.725 1.00 0.00 N ATOM 67 CA SER A 8 -15.098 -0.251 -6.319 1.00 0.00 C ATOM 68 C SER A 8 -15.623 0.958 -5.551 1.00 0.00 C ATOM 69 O SER A 8 -16.481 1.693 -6.040 1.00 0.00 O ATOM 70 CB SER A 8 -14.307 0.214 -7.544 1.00 0.00 C ATOM 71 OG SER A 8 -15.071 1.108 -8.335 1.00 0.00 O ATOM 0 H SER A 8 -16.464 -1.034 -7.704 1.00 0.00 H new ATOM 0 HA SER A 8 -14.438 -0.819 -5.663 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.387 0.703 -7.223 1.00 0.00 H new ATOM 0 HB3 SER A 8 -14.017 -0.649 -8.143 1.00 0.00 H new ATOM 0 HG SER A 8 -15.809 1.469 -7.800 1.00 0.00 H new ATOM 77 N SER A 9 -15.102 1.156 -4.344 1.00 0.00 N ATOM 78 CA SER A 9 -15.521 2.273 -3.505 1.00 0.00 C ATOM 79 C SER A 9 -14.352 2.798 -2.677 1.00 0.00 C ATOM 80 O SER A 9 -13.505 2.041 -2.202 1.00 0.00 O ATOM 81 CB SER A 9 -16.663 1.845 -2.582 1.00 0.00 C ATOM 82 OG SER A 9 -17.174 2.950 -1.856 1.00 0.00 O ATOM 0 H SER A 9 -14.390 0.558 -3.926 1.00 0.00 H new ATOM 0 HA SER A 9 -15.871 3.074 -4.157 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.461 1.393 -3.171 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.308 1.083 -1.888 1.00 0.00 H new ATOM 0 HG SER A 9 -17.904 2.650 -1.275 1.00 0.00 H new ATOM 88 N PRO A 10 -14.304 4.126 -2.497 1.00 0.00 N ATOM 89 CA PRO A 10 -13.245 4.783 -1.726 1.00 0.00 C ATOM 90 C PRO A 10 -13.346 4.487 -0.233 1.00 0.00 C ATOM 91 O PRO A 10 -14.096 5.143 0.490 1.00 0.00 O ATOM 92 CB PRO A 10 -13.483 6.272 -1.993 1.00 0.00 C ATOM 93 CG PRO A 10 -14.931 6.370 -2.328 1.00 0.00 C ATOM 94 CD PRO A 10 -15.281 5.089 -3.034 1.00 0.00 C ATOM 0 HA PRO A 10 -12.254 4.437 -2.018 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.237 6.875 -1.119 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.862 6.631 -2.813 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -15.532 6.496 -1.427 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -15.127 7.233 -2.965 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -16.305 4.781 -2.824 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -15.193 5.189 -4.116 1.00 0.00 H new ATOM 102 N SER A 11 -12.587 3.495 0.221 1.00 0.00 N ATOM 103 CA SER A 11 -12.594 3.110 1.628 1.00 0.00 C ATOM 104 C SER A 11 -11.187 3.169 2.214 1.00 0.00 C ATOM 105 O SER A 11 -10.903 3.977 3.099 1.00 0.00 O ATOM 106 CB SER A 11 -13.169 1.702 1.790 1.00 0.00 C ATOM 107 OG SER A 11 -13.797 1.549 3.051 1.00 0.00 O ATOM 0 H SER A 11 -11.960 2.943 -0.364 1.00 0.00 H new ATOM 0 HA SER A 11 -13.224 3.816 2.170 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.889 1.506 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.372 0.966 1.686 1.00 0.00 H new ATOM 0 HG SER A 11 -14.158 0.641 3.129 1.00 0.00 H new ATOM 113 N LEU A 12 -10.309 2.305 1.715 1.00 0.00 N ATOM 114 CA LEU A 12 -8.930 2.257 2.188 1.00 0.00 C ATOM 115 C LEU A 12 -8.127 3.436 1.648 1.00 0.00 C ATOM 116 O LEU A 12 -7.171 3.891 2.278 1.00 0.00 O ATOM 117 CB LEU A 12 -8.272 0.942 1.769 1.00 0.00 C ATOM 118 CG LEU A 12 -9.026 -0.335 2.141 1.00 0.00 C ATOM 119 CD1 LEU A 12 -8.634 -1.476 1.215 1.00 0.00 C ATOM 120 CD2 LEU A 12 -8.760 -0.708 3.592 1.00 0.00 C ATOM 0 H LEU A 12 -10.528 1.629 0.983 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.943 2.319 3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.134 0.956 0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.279 0.897 2.217 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.094 -0.150 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.181 -2.376 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.877 -1.210 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.563 -1.661 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.305 -1.619 3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.692 -0.873 3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.092 0.101 4.242 1.00 0.00 H new ATOM 132 N LEU A 13 -8.522 3.928 0.479 1.00 0.00 N ATOM 133 CA LEU A 13 -7.841 5.056 -0.147 1.00 0.00 C ATOM 134 C LEU A 13 -8.197 6.363 0.554 1.00 0.00 C ATOM 135 O LEU A 13 -7.379 7.279 0.633 1.00 0.00 O ATOM 136 CB LEU A 13 -8.209 5.142 -1.629 1.00 0.00 C ATOM 137 CG LEU A 13 -7.515 4.140 -2.552 1.00 0.00 C ATOM 138 CD1 LEU A 13 -6.004 4.287 -2.460 1.00 0.00 C ATOM 139 CD2 LEU A 13 -7.936 2.718 -2.209 1.00 0.00 C ATOM 0 H LEU A 13 -9.311 3.563 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.767 4.896 -0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.286 5.007 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.982 6.148 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.818 4.350 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.527 3.566 -3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.718 5.296 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.682 4.104 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.432 2.018 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.663 2.496 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.015 2.619 -2.328 1.00 0.00 H new ATOM 151 N GLU A 14 -9.423 6.441 1.063 1.00 0.00 N ATOM 152 CA GLU A 14 -9.886 7.636 1.758 1.00 0.00 C ATOM 153 C GLU A 14 -8.804 8.177 2.689 1.00 0.00 C ATOM 154 O GLU A 14 -8.361 9.320 2.570 1.00 0.00 O ATOM 155 CB GLU A 14 -11.155 7.330 2.556 1.00 0.00 C ATOM 156 CG GLU A 14 -12.437 7.629 1.799 1.00 0.00 C ATOM 157 CD GLU A 14 -12.808 9.099 1.837 1.00 0.00 C ATOM 158 OE1 GLU A 14 -12.009 9.926 1.349 1.00 0.00 O ATOM 159 OE2 GLU A 14 -13.897 9.423 2.355 1.00 0.00 O ATOM 0 H GLU A 14 -10.112 5.691 1.007 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.111 8.396 1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.149 6.278 2.842 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.143 7.912 3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.324 7.313 0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.251 7.042 2.224 1.00 0.00 H new ATOM 166 N PRO A 15 -8.369 7.338 3.640 1.00 0.00 N ATOM 167 CA PRO A 15 -7.335 7.709 4.611 1.00 0.00 C ATOM 168 C PRO A 15 -5.959 7.849 3.967 1.00 0.00 C ATOM 169 O PRO A 15 -5.192 8.750 4.308 1.00 0.00 O ATOM 170 CB PRO A 15 -7.344 6.543 5.603 1.00 0.00 C ATOM 171 CG PRO A 15 -7.869 5.387 4.823 1.00 0.00 C ATOM 172 CD PRO A 15 -8.852 5.961 3.841 1.00 0.00 C ATOM 0 HA PRO A 15 -7.535 8.678 5.069 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.344 6.341 5.986 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.977 6.760 6.464 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.062 4.866 4.308 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.351 4.661 5.478 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.862 5.399 2.907 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.869 5.945 4.234 1.00 0.00 H new ATOM 180 N LEU A 16 -5.654 6.953 3.035 1.00 0.00 N ATOM 181 CA LEU A 16 -4.370 6.977 2.343 1.00 0.00 C ATOM 182 C LEU A 16 -4.306 8.137 1.354 1.00 0.00 C ATOM 183 O LEU A 16 -3.233 8.488 0.861 1.00 0.00 O ATOM 184 CB LEU A 16 -4.138 5.654 1.610 1.00 0.00 C ATOM 185 CG LEU A 16 -4.007 4.412 2.492 1.00 0.00 C ATOM 186 CD1 LEU A 16 -3.793 3.172 1.640 1.00 0.00 C ATOM 187 CD2 LEU A 16 -2.868 4.582 3.487 1.00 0.00 C ATOM 0 H LEU A 16 -6.278 6.201 2.741 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.586 7.115 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.964 5.497 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.232 5.747 1.012 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.935 4.287 3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.702 2.298 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.642 3.041 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.881 3.286 1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.790 3.688 4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.933 4.733 2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.065 5.447 4.121 1.00 0.00 H new ATOM 199 N LEU A 17 -5.460 8.730 1.071 1.00 0.00 N ATOM 200 CA LEU A 17 -5.536 9.853 0.143 1.00 0.00 C ATOM 201 C LEU A 17 -5.518 11.181 0.892 1.00 0.00 C ATOM 202 O LEU A 17 -4.776 12.096 0.536 1.00 0.00 O ATOM 203 CB LEU A 17 -6.803 9.752 -0.708 1.00 0.00 C ATOM 204 CG LEU A 17 -6.798 8.677 -1.795 1.00 0.00 C ATOM 205 CD1 LEU A 17 -8.175 8.550 -2.428 1.00 0.00 C ATOM 206 CD2 LEU A 17 -5.750 8.992 -2.853 1.00 0.00 C ATOM 0 H LEU A 17 -6.356 8.452 1.471 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.663 9.813 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.648 9.566 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.976 10.718 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.544 7.723 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.151 7.780 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.903 8.276 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.459 9.503 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.761 8.216 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.973 9.956 -3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.764 9.030 -2.389 1.00 0.00 H new ATOM 218 N ALA A 18 -6.338 11.278 1.934 1.00 0.00 N ATOM 219 CA ALA A 18 -6.413 12.493 2.737 1.00 0.00 C ATOM 220 C ALA A 18 -5.081 12.781 3.421 1.00 0.00 C ATOM 221 O ALA A 18 -4.823 13.907 3.847 1.00 0.00 O ATOM 222 CB ALA A 18 -7.525 12.375 3.769 1.00 0.00 C ATOM 0 H ALA A 18 -6.959 10.530 2.242 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.637 13.327 2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.570 13.289 4.362 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.478 12.224 3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.325 11.527 4.424 1.00 0.00 H new ATOM 228 N MET A 19 -4.240 11.758 3.524 1.00 0.00 N ATOM 229 CA MET A 19 -2.934 11.903 4.157 1.00 0.00 C ATOM 230 C MET A 19 -1.958 12.622 3.231 1.00 0.00 C ATOM 231 O MET A 19 -1.001 13.247 3.687 1.00 0.00 O ATOM 232 CB MET A 19 -2.375 10.532 4.541 1.00 0.00 C ATOM 233 CG MET A 19 -3.094 9.889 5.716 1.00 0.00 C ATOM 234 SD MET A 19 -2.354 10.320 7.303 1.00 0.00 S ATOM 235 CE MET A 19 -2.090 8.694 8.006 1.00 0.00 C ATOM 0 H MET A 19 -4.439 10.820 3.178 1.00 0.00 H new ATOM 0 HA MET A 19 -3.059 12.502 5.059 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.440 9.868 3.679 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.318 10.635 4.785 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.139 10.198 5.711 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.082 8.806 5.596 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.328 8.753 8.783 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.022 8.329 8.438 1.00 0.00 H new ATOM 0 HE3 MET A 19 -1.759 8.009 7.225 1.00 0.00 H new ATOM 245 N GLY A 20 -2.207 12.529 1.928 1.00 0.00 N ATOM 246 CA GLY A 20 -1.341 13.175 0.960 1.00 0.00 C ATOM 247 C GLY A 20 -0.870 12.224 -0.123 1.00 0.00 C ATOM 248 O GLY A 20 -0.524 12.649 -1.225 1.00 0.00 O ATOM 0 H GLY A 20 -2.993 12.018 1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.873 14.009 0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.475 13.593 1.474 1.00 0.00 H new ATOM 252 N PHE A 21 -0.855 10.933 0.192 1.00 0.00 N ATOM 253 CA PHE A 21 -0.421 9.919 -0.762 1.00 0.00 C ATOM 254 C PHE A 21 -1.423 9.783 -1.905 1.00 0.00 C ATOM 255 O PHE A 21 -2.637 9.819 -1.707 1.00 0.00 O ATOM 256 CB PHE A 21 -0.244 8.571 -0.060 1.00 0.00 C ATOM 257 CG PHE A 21 0.415 8.678 1.286 1.00 0.00 C ATOM 258 CD1 PHE A 21 1.795 8.741 1.393 1.00 0.00 C ATOM 259 CD2 PHE A 21 -0.346 8.715 2.443 1.00 0.00 C ATOM 260 CE1 PHE A 21 2.403 8.839 2.630 1.00 0.00 C ATOM 261 CE2 PHE A 21 0.257 8.813 3.683 1.00 0.00 C ATOM 262 CZ PHE A 21 1.633 8.876 3.776 1.00 0.00 C ATOM 0 H PHE A 21 -1.138 10.564 1.100 1.00 0.00 H new ATOM 0 HA PHE A 21 0.537 10.233 -1.178 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.220 8.101 0.059 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.350 7.915 -0.696 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.402 8.713 0.500 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.423 8.667 2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.480 8.887 2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.347 8.840 4.578 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.107 8.954 4.743 1.00 0.00 H new ATOM 272 N PRO A 22 -0.903 9.622 -3.131 1.00 0.00 N ATOM 273 CA PRO A 22 -1.733 9.477 -4.330 1.00 0.00 C ATOM 274 C PRO A 22 -2.475 8.145 -4.364 1.00 0.00 C ATOM 275 O PRO A 22 -2.590 7.461 -3.347 1.00 0.00 O ATOM 276 CB PRO A 22 -0.719 9.554 -5.475 1.00 0.00 C ATOM 277 CG PRO A 22 0.568 9.108 -4.871 1.00 0.00 C ATOM 278 CD PRO A 22 0.536 9.570 -3.440 1.00 0.00 C ATOM 0 HA PRO A 22 -2.512 10.237 -4.381 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.010 8.911 -6.306 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.642 10.568 -5.868 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.672 8.024 -4.929 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.418 9.538 -5.401 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.064 8.879 -2.783 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.008 10.545 -3.322 1.00 0.00 H new ATOM 286 N VAL A 23 -2.976 7.782 -5.540 1.00 0.00 N ATOM 287 CA VAL A 23 -3.706 6.531 -5.707 1.00 0.00 C ATOM 288 C VAL A 23 -2.756 5.377 -6.011 1.00 0.00 C ATOM 289 O VAL A 23 -2.696 4.396 -5.270 1.00 0.00 O ATOM 290 CB VAL A 23 -4.748 6.635 -6.836 1.00 0.00 C ATOM 291 CG1 VAL A 23 -5.217 5.251 -7.259 1.00 0.00 C ATOM 292 CG2 VAL A 23 -5.924 7.494 -6.396 1.00 0.00 C ATOM 0 H VAL A 23 -2.890 8.337 -6.392 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.220 6.337 -4.766 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.280 7.112 -7.697 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.953 5.345 -8.058 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.366 4.672 -7.616 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.669 4.744 -6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.651 7.557 -7.205 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.394 7.047 -5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.571 8.495 -6.147 1.00 0.00 H new ATOM 302 N HIS A 24 -2.015 5.502 -7.107 1.00 0.00 N ATOM 303 CA HIS A 24 -1.066 4.470 -7.510 1.00 0.00 C ATOM 304 C HIS A 24 -0.222 4.014 -6.324 1.00 0.00 C ATOM 305 O HIS A 24 0.105 2.834 -6.197 1.00 0.00 O ATOM 306 CB HIS A 24 -0.159 4.989 -8.627 1.00 0.00 C ATOM 307 CG HIS A 24 0.078 6.466 -8.567 1.00 0.00 C ATOM 308 ND1 HIS A 24 -0.287 7.328 -9.580 1.00 0.00 N ATOM 309 CD2 HIS A 24 0.646 7.234 -7.608 1.00 0.00 C ATOM 310 CE1 HIS A 24 0.048 8.562 -9.247 1.00 0.00 C ATOM 311 NE2 HIS A 24 0.615 8.532 -8.054 1.00 0.00 N ATOM 0 H HIS A 24 -2.053 6.307 -7.732 1.00 0.00 H new ATOM 0 HA HIS A 24 -1.633 3.615 -7.880 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.800 4.473 -8.575 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.603 4.739 -9.590 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -0.744 7.055 -10.450 1.00 0.00 H new ATOM 0 HD2 HIS A 24 1.049 6.890 -6.667 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.114 9.445 -9.848 1.00 0.00 H new ATOM 320 N THR A 25 0.128 4.959 -5.455 1.00 0.00 N ATOM 321 CA THR A 25 0.935 4.655 -4.281 1.00 0.00 C ATOM 322 C THR A 25 0.107 3.952 -3.211 1.00 0.00 C ATOM 323 O THR A 25 0.427 2.839 -2.796 1.00 0.00 O ATOM 324 CB THR A 25 1.553 5.931 -3.679 1.00 0.00 C ATOM 325 OG1 THR A 25 2.483 6.508 -4.603 1.00 0.00 O ATOM 326 CG2 THR A 25 2.259 5.624 -2.367 1.00 0.00 C ATOM 0 H THR A 25 -0.135 5.940 -5.543 1.00 0.00 H new ATOM 0 HA THR A 25 1.735 3.992 -4.611 1.00 0.00 H new ATOM 0 HB THR A 25 0.748 6.640 -3.483 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.357 6.605 -4.170 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.687 6.540 -1.961 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.543 5.212 -1.656 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.054 4.899 -2.542 1.00 0.00 H new ATOM 334 N ALA A 26 -0.960 4.609 -2.769 1.00 0.00 N ATOM 335 CA ALA A 26 -1.836 4.046 -1.749 1.00 0.00 C ATOM 336 C ALA A 26 -2.229 2.613 -2.094 1.00 0.00 C ATOM 337 O ALA A 26 -2.389 1.772 -1.209 1.00 0.00 O ATOM 338 CB ALA A 26 -3.077 4.910 -1.583 1.00 0.00 C ATOM 0 H ALA A 26 -1.239 5.532 -3.101 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.290 4.029 -0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.722 4.477 -0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.783 5.916 -1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.617 4.957 -2.529 1.00 0.00 H new ATOM 344 N LEU A 27 -2.385 2.342 -3.385 1.00 0.00 N ATOM 345 CA LEU A 27 -2.761 1.010 -3.847 1.00 0.00 C ATOM 346 C LEU A 27 -1.637 0.010 -3.596 1.00 0.00 C ATOM 347 O LEU A 27 -1.875 -1.104 -3.129 1.00 0.00 O ATOM 348 CB LEU A 27 -3.105 1.044 -5.337 1.00 0.00 C ATOM 349 CG LEU A 27 -4.327 1.877 -5.725 1.00 0.00 C ATOM 350 CD1 LEU A 27 -4.175 2.425 -7.135 1.00 0.00 C ATOM 351 CD2 LEU A 27 -5.597 1.047 -5.608 1.00 0.00 C ATOM 0 H LEU A 27 -2.257 3.026 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.639 0.691 -3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.241 1.428 -5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.266 0.020 -5.676 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.402 2.719 -5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.055 3.015 -7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.287 3.055 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.074 1.598 -7.838 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.457 1.656 -5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.531 0.185 -6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.714 0.704 -4.580 1.00 0.00 H new ATOM 363 N LYS A 28 -0.410 0.415 -3.908 1.00 0.00 N ATOM 364 CA LYS A 28 0.752 -0.443 -3.713 1.00 0.00 C ATOM 365 C LYS A 28 0.879 -0.865 -2.253 1.00 0.00 C ATOM 366 O LYS A 28 1.025 -2.048 -1.949 1.00 0.00 O ATOM 367 CB LYS A 28 2.025 0.279 -4.159 1.00 0.00 C ATOM 368 CG LYS A 28 2.375 0.049 -5.619 1.00 0.00 C ATOM 369 CD LYS A 28 3.560 0.898 -6.049 1.00 0.00 C ATOM 370 CE LYS A 28 3.112 2.249 -6.584 1.00 0.00 C ATOM 371 NZ LYS A 28 4.242 3.216 -6.666 1.00 0.00 N ATOM 0 H LYS A 28 -0.195 1.333 -4.297 1.00 0.00 H new ATOM 0 HA LYS A 28 0.617 -1.338 -4.320 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.905 1.349 -3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.857 -0.052 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.605 -1.005 -5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.512 0.284 -6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.230 1.045 -5.202 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.127 0.371 -6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.672 2.120 -7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.333 2.655 -5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.895 4.124 -7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.646 3.359 -5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.975 2.841 -7.302 1.00 0.00 H new ATOM 385 N ALA A 29 0.821 0.112 -1.353 1.00 0.00 N ATOM 386 CA ALA A 29 0.926 -0.159 0.076 1.00 0.00 C ATOM 387 C ALA A 29 -0.221 -1.043 0.552 1.00 0.00 C ATOM 388 O ALA A 29 -0.030 -1.931 1.384 1.00 0.00 O ATOM 389 CB ALA A 29 0.950 1.145 0.859 1.00 0.00 C ATOM 0 H ALA A 29 0.702 1.097 -1.588 1.00 0.00 H new ATOM 0 HA ALA A 29 1.859 -0.694 0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.029 0.928 1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.807 1.742 0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.032 1.701 0.669 1.00 0.00 H new ATOM 395 N LEU A 30 -1.414 -0.794 0.022 1.00 0.00 N ATOM 396 CA LEU A 30 -2.593 -1.568 0.394 1.00 0.00 C ATOM 397 C LEU A 30 -2.454 -3.021 -0.050 1.00 0.00 C ATOM 398 O LEU A 30 -2.430 -3.933 0.775 1.00 0.00 O ATOM 399 CB LEU A 30 -3.848 -0.951 -0.225 1.00 0.00 C ATOM 400 CG LEU A 30 -4.476 0.210 0.547 1.00 0.00 C ATOM 401 CD1 LEU A 30 -5.516 0.919 -0.307 1.00 0.00 C ATOM 402 CD2 LEU A 30 -5.097 -0.286 1.845 1.00 0.00 C ATOM 0 H LEU A 30 -1.590 -0.062 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.683 -1.547 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.601 -0.603 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.597 -1.735 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.690 0.924 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.952 1.742 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.042 1.309 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.300 0.215 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.539 0.554 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.870 -1.021 1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.327 -0.747 2.464 1.00 0.00 H new ATOM 414 N ALA A 31 -2.361 -3.227 -1.360 1.00 0.00 N ATOM 415 CA ALA A 31 -2.221 -4.567 -1.914 1.00 0.00 C ATOM 416 C ALA A 31 -0.989 -5.268 -1.351 1.00 0.00 C ATOM 417 O ALA A 31 -0.898 -6.495 -1.369 1.00 0.00 O ATOM 418 CB ALA A 31 -2.146 -4.506 -3.433 1.00 0.00 C ATOM 0 H ALA A 31 -2.380 -2.482 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.100 -5.145 -1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.041 -5.515 -3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.057 -4.053 -3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.286 -3.907 -3.731 1.00 0.00 H new ATOM 424 N ALA A 32 -0.042 -4.480 -0.851 1.00 0.00 N ATOM 425 CA ALA A 32 1.183 -5.025 -0.281 1.00 0.00 C ATOM 426 C ALA A 32 0.943 -5.562 1.126 1.00 0.00 C ATOM 427 O ALA A 32 1.262 -6.713 1.425 1.00 0.00 O ATOM 428 CB ALA A 32 2.274 -3.965 -0.263 1.00 0.00 C ATOM 0 H ALA A 32 -0.101 -3.462 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 32 1.508 -5.855 -0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.183 -4.386 0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.473 -3.631 -1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.948 -3.117 0.340 1.00 0.00 H new ATOM 434 N THR A 33 0.377 -4.722 1.987 1.00 0.00 N ATOM 435 CA THR A 33 0.096 -5.112 3.363 1.00 0.00 C ATOM 436 C THR A 33 -1.026 -6.143 3.423 1.00 0.00 C ATOM 437 O THR A 33 -1.262 -6.758 4.462 1.00 0.00 O ATOM 438 CB THR A 33 -0.293 -3.895 4.223 1.00 0.00 C ATOM 439 OG1 THR A 33 -1.499 -3.307 3.723 1.00 0.00 O ATOM 440 CG2 THR A 33 0.819 -2.858 4.228 1.00 0.00 C ATOM 0 H THR A 33 0.104 -3.767 1.755 1.00 0.00 H new ATOM 0 HA THR A 33 1.011 -5.551 3.761 1.00 0.00 H new ATOM 0 HB THR A 33 -0.453 -4.237 5.245 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.298 -2.777 2.924 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.521 -2.008 4.842 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.727 -3.300 4.637 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.007 -2.521 3.209 1.00 0.00 H new ATOM 448 N GLY A 34 -1.716 -6.327 2.301 1.00 0.00 N ATOM 449 CA GLY A 34 -2.805 -7.285 2.249 1.00 0.00 C ATOM 450 C GLY A 34 -4.145 -6.658 2.578 1.00 0.00 C ATOM 451 O GLY A 34 -4.953 -7.246 3.296 1.00 0.00 O ATOM 0 H GLY A 34 -1.540 -5.830 1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.849 -7.727 1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.605 -8.096 2.949 1.00 0.00 H new ATOM 455 N ARG A 35 -4.381 -5.460 2.052 1.00 0.00 N ATOM 456 CA ARG A 35 -5.631 -4.751 2.297 1.00 0.00 C ATOM 457 C ARG A 35 -6.139 -5.016 3.711 1.00 0.00 C ATOM 458 O ARG A 35 -7.274 -5.453 3.903 1.00 0.00 O ATOM 459 CB ARG A 35 -6.689 -5.174 1.276 1.00 0.00 C ATOM 460 CG ARG A 35 -6.263 -4.959 -0.167 1.00 0.00 C ATOM 461 CD ARG A 35 -6.429 -3.507 -0.588 1.00 0.00 C ATOM 462 NE ARG A 35 -7.807 -3.201 -0.965 1.00 0.00 N ATOM 463 CZ ARG A 35 -8.155 -2.127 -1.664 1.00 0.00 C ATOM 464 NH1 ARG A 35 -7.233 -1.261 -2.060 1.00 0.00 N ATOM 465 NH2 ARG A 35 -9.430 -1.917 -1.969 1.00 0.00 N ATOM 0 H ARG A 35 -3.723 -4.961 1.454 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.440 -3.683 2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.923 -6.228 1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.606 -4.615 1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.222 -5.257 -0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.856 -5.598 -0.821 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.124 -2.855 0.230 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.768 -3.295 -1.428 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.541 -3.847 -0.676 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.252 -1.418 -1.828 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.504 -0.437 -2.597 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.143 -2.581 -1.666 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.697 -1.092 -2.506 1.00 0.00 H new ATOM 479 N LYS A 36 -5.291 -4.749 4.698 1.00 0.00 N ATOM 480 CA LYS A 36 -5.652 -4.958 6.095 1.00 0.00 C ATOM 481 C LYS A 36 -6.290 -3.704 6.685 1.00 0.00 C ATOM 482 O LYS A 36 -7.480 -3.690 7.003 1.00 0.00 O ATOM 483 CB LYS A 36 -4.416 -5.346 6.910 1.00 0.00 C ATOM 484 CG LYS A 36 -3.880 -6.728 6.581 1.00 0.00 C ATOM 485 CD LYS A 36 -4.603 -7.809 7.367 1.00 0.00 C ATOM 486 CE LYS A 36 -4.098 -7.888 8.800 1.00 0.00 C ATOM 487 NZ LYS A 36 -2.698 -8.388 8.868 1.00 0.00 N ATOM 0 H LYS A 36 -4.348 -4.387 4.556 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.378 -5.770 6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.631 -4.610 6.736 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.663 -5.304 7.971 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.991 -6.917 5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.813 -6.768 6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.674 -7.605 7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.463 -8.772 6.877 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.154 -6.901 9.260 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.747 -8.546 9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.498 -8.731 9.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.574 -9.167 8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.042 -7.616 8.633 1.00 0.00 H new ATOM 501 N THR A 37 -5.492 -2.651 6.828 1.00 0.00 N ATOM 502 CA THR A 37 -5.978 -1.392 7.379 1.00 0.00 C ATOM 503 C THR A 37 -5.122 -0.220 6.914 1.00 0.00 C ATOM 504 O THR A 37 -3.900 -0.331 6.819 1.00 0.00 O ATOM 505 CB THR A 37 -5.994 -1.422 8.919 1.00 0.00 C ATOM 506 OG1 THR A 37 -6.443 -0.161 9.429 1.00 0.00 O ATOM 507 CG2 THR A 37 -4.610 -1.733 9.469 1.00 0.00 C ATOM 0 H THR A 37 -4.505 -2.645 6.570 1.00 0.00 H new ATOM 0 HA THR A 37 -6.997 -1.261 7.014 1.00 0.00 H new ATOM 0 HB THR A 37 -6.679 -2.207 9.238 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.452 -0.189 10.409 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.646 -1.749 10.558 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.283 -2.706 9.103 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.907 -0.967 9.141 1.00 0.00 H new ATOM 515 N ALA A 38 -5.770 0.903 6.624 1.00 0.00 N ATOM 516 CA ALA A 38 -5.067 2.096 6.171 1.00 0.00 C ATOM 517 C ALA A 38 -3.697 2.210 6.831 1.00 0.00 C ATOM 518 O ALA A 38 -2.683 2.371 6.152 1.00 0.00 O ATOM 519 CB ALA A 38 -5.897 3.339 6.458 1.00 0.00 C ATOM 0 H ALA A 38 -6.782 1.011 6.695 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.917 2.012 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.359 4.223 6.114 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.851 3.268 5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.076 3.417 7.530 1.00 0.00 H new ATOM 525 N GLU A 39 -3.674 2.124 8.157 1.00 0.00 N ATOM 526 CA GLU A 39 -2.427 2.219 8.907 1.00 0.00 C ATOM 527 C GLU A 39 -1.347 1.343 8.279 1.00 0.00 C ATOM 528 O GLU A 39 -0.278 1.828 7.911 1.00 0.00 O ATOM 529 CB GLU A 39 -2.650 1.808 10.364 1.00 0.00 C ATOM 530 CG GLU A 39 -1.423 1.989 11.242 1.00 0.00 C ATOM 531 CD GLU A 39 -0.542 0.756 11.276 1.00 0.00 C ATOM 532 OE1 GLU A 39 0.341 0.633 10.401 1.00 0.00 O ATOM 533 OE2 GLU A 39 -0.735 -0.086 12.178 1.00 0.00 O ATOM 0 H GLU A 39 -4.504 1.989 8.734 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.092 3.256 8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.471 2.394 10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.958 0.763 10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.842 2.836 10.877 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.740 2.233 12.256 1.00 0.00 H new ATOM 540 N GLU A 40 -1.635 0.051 8.161 1.00 0.00 N ATOM 541 CA GLU A 40 -0.688 -0.892 7.580 1.00 0.00 C ATOM 542 C GLU A 40 0.004 -0.287 6.362 1.00 0.00 C ATOM 543 O GLU A 40 1.208 -0.459 6.169 1.00 0.00 O ATOM 544 CB GLU A 40 -1.401 -2.187 7.184 1.00 0.00 C ATOM 545 CG GLU A 40 -1.424 -3.231 8.287 1.00 0.00 C ATOM 546 CD GLU A 40 -0.229 -4.163 8.234 1.00 0.00 C ATOM 547 OE1 GLU A 40 0.868 -3.701 7.856 1.00 0.00 O ATOM 548 OE2 GLU A 40 -0.391 -5.355 8.570 1.00 0.00 O ATOM 0 H GLU A 40 -2.516 -0.366 8.460 1.00 0.00 H new ATOM 0 HA GLU A 40 0.068 -1.117 8.332 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.426 -1.954 6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.910 -2.608 6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.447 -2.731 9.255 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.340 -3.816 8.209 1.00 0.00 H new ATOM 555 N ALA A 41 -0.765 0.422 5.543 1.00 0.00 N ATOM 556 CA ALA A 41 -0.227 1.054 4.344 1.00 0.00 C ATOM 557 C ALA A 41 0.828 2.096 4.700 1.00 0.00 C ATOM 558 O ALA A 41 1.828 2.247 3.997 1.00 0.00 O ATOM 559 CB ALA A 41 -1.347 1.689 3.534 1.00 0.00 C ATOM 0 H ALA A 41 -1.763 0.574 5.688 1.00 0.00 H new ATOM 0 HA ALA A 41 0.251 0.283 3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.931 2.157 2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.064 0.922 3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.850 2.444 4.138 1.00 0.00 H new ATOM 565 N LEU A 42 0.599 2.813 5.795 1.00 0.00 N ATOM 566 CA LEU A 42 1.530 3.842 6.244 1.00 0.00 C ATOM 567 C LEU A 42 2.861 3.227 6.664 1.00 0.00 C ATOM 568 O LEU A 42 3.922 3.807 6.439 1.00 0.00 O ATOM 569 CB LEU A 42 0.928 4.629 7.409 1.00 0.00 C ATOM 570 CG LEU A 42 0.095 5.855 7.033 1.00 0.00 C ATOM 571 CD1 LEU A 42 0.998 7.006 6.616 1.00 0.00 C ATOM 572 CD2 LEU A 42 -0.885 5.513 5.920 1.00 0.00 C ATOM 0 H LEU A 42 -0.223 2.701 6.388 1.00 0.00 H new ATOM 0 HA LEU A 42 1.712 4.521 5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.301 3.954 7.992 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.740 4.952 8.061 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.475 6.166 7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.388 7.870 6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.659 7.268 7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.595 6.706 5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.469 6.397 5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.335 5.176 5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.554 4.720 6.255 1.00 0.00 H new ATOM 584 N ALA A 43 2.795 2.048 7.274 1.00 0.00 N ATOM 585 CA ALA A 43 3.995 1.352 7.722 1.00 0.00 C ATOM 586 C ALA A 43 4.802 0.832 6.537 1.00 0.00 C ATOM 587 O ALA A 43 6.008 0.612 6.645 1.00 0.00 O ATOM 588 CB ALA A 43 3.624 0.208 8.654 1.00 0.00 C ATOM 0 H ALA A 43 1.924 1.555 7.469 1.00 0.00 H new ATOM 0 HA ALA A 43 4.616 2.063 8.267 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.529 -0.303 8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.096 0.603 9.522 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.980 -0.496 8.127 1.00 0.00 H new ATOM 594 N TRP A 44 4.129 0.637 5.409 1.00 0.00 N ATOM 595 CA TRP A 44 4.785 0.142 4.204 1.00 0.00 C ATOM 596 C TRP A 44 5.300 1.296 3.351 1.00 0.00 C ATOM 597 O TRP A 44 6.325 1.175 2.679 1.00 0.00 O ATOM 598 CB TRP A 44 3.818 -0.719 3.390 1.00 0.00 C ATOM 599 CG TRP A 44 4.421 -1.259 2.128 1.00 0.00 C ATOM 600 CD1 TRP A 44 5.032 -2.469 1.965 1.00 0.00 C ATOM 601 CD2 TRP A 44 4.473 -0.606 0.855 1.00 0.00 C ATOM 602 NE1 TRP A 44 5.461 -2.608 0.667 1.00 0.00 N ATOM 603 CE2 TRP A 44 5.129 -1.479 -0.034 1.00 0.00 C ATOM 604 CE3 TRP A 44 4.028 0.630 0.380 1.00 0.00 C ATOM 605 CZ2 TRP A 44 5.350 -1.153 -1.370 1.00 0.00 C ATOM 606 CZ3 TRP A 44 4.249 0.952 -0.946 1.00 0.00 C ATOM 607 CH2 TRP A 44 4.904 0.063 -1.808 1.00 0.00 C ATOM 0 H TRP A 44 3.130 0.814 5.303 1.00 0.00 H new ATOM 0 HA TRP A 44 5.636 -0.468 4.508 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.477 -1.551 4.006 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.938 -0.126 3.139 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.159 -3.208 2.742 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.948 -3.420 0.287 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.521 1.321 1.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.856 -1.836 -2.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 3.911 1.905 -1.324 1.00 0.00 H new ATOM 0 HH2 TRP A 44 5.060 0.344 -2.839 1.00 0.00 H new ATOM 618 N LEU A 45 4.584 2.414 3.382 1.00 0.00 N ATOM 619 CA LEU A 45 4.970 3.591 2.611 1.00 0.00 C ATOM 620 C LEU A 45 6.195 4.264 3.221 1.00 0.00 C ATOM 621 O LEU A 45 7.094 4.707 2.506 1.00 0.00 O ATOM 622 CB LEU A 45 3.808 4.584 2.544 1.00 0.00 C ATOM 623 CG LEU A 45 2.622 4.173 1.670 1.00 0.00 C ATOM 624 CD1 LEU A 45 1.380 4.963 2.050 1.00 0.00 C ATOM 625 CD2 LEU A 45 2.952 4.368 0.198 1.00 0.00 C ATOM 0 H LEU A 45 3.733 2.531 3.932 1.00 0.00 H new ATOM 0 HA LEU A 45 5.222 3.267 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.444 4.756 3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.191 5.536 2.177 1.00 0.00 H new ATOM 0 HG LEU A 45 2.420 3.115 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.547 4.657 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.132 4.772 3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.569 6.027 1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.097 4.071 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.181 5.417 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.815 3.756 -0.066 1.00 0.00 H new ATOM 637 N HIS A 46 6.225 4.336 4.548 1.00 0.00 N ATOM 638 CA HIS A 46 7.341 4.953 5.256 1.00 0.00 C ATOM 639 C HIS A 46 8.615 4.132 5.081 1.00 0.00 C ATOM 640 O HIS A 46 9.710 4.587 5.414 1.00 0.00 O ATOM 641 CB HIS A 46 7.014 5.098 6.742 1.00 0.00 C ATOM 642 CG HIS A 46 6.282 6.362 7.074 1.00 0.00 C ATOM 643 ND1 HIS A 46 6.920 7.562 7.303 1.00 0.00 N ATOM 644 CD2 HIS A 46 4.958 6.608 7.212 1.00 0.00 C ATOM 645 CE1 HIS A 46 6.020 8.492 7.571 1.00 0.00 C ATOM 646 NE2 HIS A 46 4.822 7.939 7.521 1.00 0.00 N ATOM 0 H HIS A 46 5.489 3.975 5.155 1.00 0.00 H new ATOM 0 HA HIS A 46 7.506 5.943 4.831 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.412 4.246 7.058 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.941 5.064 7.315 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.158 5.891 7.100 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.229 9.528 7.793 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.939 8.422 7.685 1.00 0.00 H new ATOM 655 N ASP A 47 8.465 2.920 4.558 1.00 0.00 N ATOM 656 CA ASP A 47 9.603 2.035 4.339 1.00 0.00 C ATOM 657 C ASP A 47 9.862 1.842 2.848 1.00 0.00 C ATOM 658 O ASP A 47 10.998 1.617 2.429 1.00 0.00 O ATOM 659 CB ASP A 47 9.359 0.680 5.006 1.00 0.00 C ATOM 660 CG ASP A 47 9.836 0.649 6.445 1.00 0.00 C ATOM 661 OD1 ASP A 47 11.019 0.318 6.671 1.00 0.00 O ATOM 662 OD2 ASP A 47 9.026 0.957 7.344 1.00 0.00 O ATOM 0 H ASP A 47 7.566 2.528 4.278 1.00 0.00 H new ATOM 0 HA ASP A 47 10.483 2.498 4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.294 0.449 4.974 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.871 -0.098 4.440 1.00 0.00 H new ATOM 667 N HIS A 48 8.802 1.931 2.051 1.00 0.00 N ATOM 668 CA HIS A 48 8.915 1.766 0.606 1.00 0.00 C ATOM 669 C HIS A 48 8.668 3.089 -0.112 1.00 0.00 C ATOM 670 O HIS A 48 7.979 3.133 -1.132 1.00 0.00 O ATOM 671 CB HIS A 48 7.924 0.712 0.113 1.00 0.00 C ATOM 672 CG HIS A 48 8.355 -0.694 0.396 1.00 0.00 C ATOM 673 ND1 HIS A 48 8.812 -1.552 -0.582 1.00 0.00 N ATOM 674 CD2 HIS A 48 8.398 -1.391 1.556 1.00 0.00 C ATOM 675 CE1 HIS A 48 9.117 -2.716 -0.036 1.00 0.00 C ATOM 676 NE2 HIS A 48 8.875 -2.644 1.260 1.00 0.00 N ATOM 0 H HIS A 48 7.855 2.116 2.381 1.00 0.00 H new ATOM 0 HA HIS A 48 9.928 1.434 0.381 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.956 0.888 0.582 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.784 0.831 -0.961 1.00 0.00 H new ATOM 0 HD2 HIS A 48 8.111 -1.029 2.532 1.00 0.00 H new ATOM 0 HE1 HIS A 48 9.499 -3.579 -0.561 1.00 0.00 H new ATOM 0 HE2 HIS A 48 9.019 -3.397 1.932 1.00 0.00 H new ATOM 685 N CYS A 49 9.233 4.164 0.426 1.00 0.00 N ATOM 686 CA CYS A 49 9.073 5.488 -0.163 1.00 0.00 C ATOM 687 C CYS A 49 10.307 5.877 -0.972 1.00 0.00 C ATOM 688 O CYS A 49 10.197 6.450 -2.055 1.00 0.00 O ATOM 689 CB CYS A 49 8.817 6.528 0.929 1.00 0.00 C ATOM 690 SG CYS A 49 9.853 6.327 2.397 1.00 0.00 S ATOM 0 H CYS A 49 9.806 4.144 1.269 1.00 0.00 H new ATOM 0 HA CYS A 49 8.215 5.457 -0.835 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.982 7.523 0.514 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.770 6.476 1.227 1.00 0.00 H new ATOM 0 HG CYS A 49 11.068 6.038 2.035 1.00 0.00 H new ATOM 696 N ASN A 50 11.482 5.561 -0.436 1.00 0.00 N ATOM 697 CA ASN A 50 12.738 5.879 -1.107 1.00 0.00 C ATOM 698 C ASN A 50 13.335 4.637 -1.761 1.00 0.00 C ATOM 699 O ASN A 50 14.096 3.899 -1.136 1.00 0.00 O ATOM 700 CB ASN A 50 13.735 6.475 -0.111 1.00 0.00 C ATOM 701 CG ASN A 50 13.933 5.593 1.106 1.00 0.00 C ATOM 702 OD1 ASN A 50 12.992 5.327 1.854 1.00 0.00 O ATOM 703 ND2 ASN A 50 15.163 5.134 1.310 1.00 0.00 N ATOM 0 H ASN A 50 11.591 5.086 0.460 1.00 0.00 H new ATOM 0 HA ASN A 50 12.530 6.613 -1.886 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.694 6.626 -0.607 1.00 0.00 H new ATOM 0 HB3 ASN A 50 13.383 7.456 0.208 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.357 4.535 2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.913 5.380 0.664 1.00 0.00 H new ATOM 710 N ASP A 51 12.984 4.413 -3.023 1.00 0.00 N ATOM 711 CA ASP A 51 13.486 3.261 -3.763 1.00 0.00 C ATOM 712 C ASP A 51 13.725 3.618 -5.227 1.00 0.00 C ATOM 713 O ASP A 51 12.986 4.396 -5.830 1.00 0.00 O ATOM 714 CB ASP A 51 12.501 2.095 -3.664 1.00 0.00 C ATOM 715 CG ASP A 51 12.754 1.226 -2.448 1.00 0.00 C ATOM 716 OD1 ASP A 51 13.919 0.829 -2.234 1.00 0.00 O ATOM 717 OD2 ASP A 51 11.788 0.943 -1.710 1.00 0.00 O ATOM 0 H ASP A 51 12.354 5.014 -3.555 1.00 0.00 H new ATOM 0 HA ASP A 51 14.436 2.962 -3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.484 2.485 -3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.573 1.485 -4.564 1.00 0.00 H new ATOM 722 N PRO A 52 14.783 3.038 -5.813 1.00 0.00 N ATOM 723 CA PRO A 52 15.144 3.280 -7.213 1.00 0.00 C ATOM 724 C PRO A 52 14.144 2.664 -8.184 1.00 0.00 C ATOM 725 O PRO A 52 14.244 2.853 -9.397 1.00 0.00 O ATOM 726 CB PRO A 52 16.510 2.602 -7.349 1.00 0.00 C ATOM 727 CG PRO A 52 16.516 1.549 -6.295 1.00 0.00 C ATOM 728 CD PRO A 52 15.707 2.100 -5.154 1.00 0.00 C ATOM 0 HA PRO A 52 15.155 4.343 -7.454 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.641 2.170 -8.341 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.322 3.314 -7.202 1.00 0.00 H new ATOM 0 HG2 PRO A 52 16.083 0.621 -6.668 1.00 0.00 H new ATOM 0 HG3 PRO A 52 17.533 1.321 -5.977 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.170 1.313 -4.625 1.00 0.00 H new ATOM 0 HD3 PRO A 52 16.337 2.604 -4.421 1.00 0.00 H new ATOM 736 N SER A 53 13.179 1.926 -7.645 1.00 0.00 N ATOM 737 CA SER A 53 12.162 1.279 -8.465 1.00 0.00 C ATOM 738 C SER A 53 10.798 1.928 -8.252 1.00 0.00 C ATOM 739 O SER A 53 9.852 1.673 -8.999 1.00 0.00 O ATOM 740 CB SER A 53 12.085 -0.214 -8.137 1.00 0.00 C ATOM 741 OG SER A 53 10.989 -0.825 -8.795 1.00 0.00 O ATOM 0 H SER A 53 13.080 1.761 -6.643 1.00 0.00 H new ATOM 0 HA SER A 53 12.444 1.400 -9.511 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.012 -0.704 -8.436 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.987 -0.348 -7.060 1.00 0.00 H new ATOM 0 HG SER A 53 10.389 -0.133 -9.143 1.00 0.00 H new ATOM 747 N LEU A 54 10.704 2.770 -7.228 1.00 0.00 N ATOM 748 CA LEU A 54 9.456 3.458 -6.916 1.00 0.00 C ATOM 749 C LEU A 54 9.559 4.945 -7.237 1.00 0.00 C ATOM 750 O LEU A 54 8.651 5.526 -7.832 1.00 0.00 O ATOM 751 CB LEU A 54 9.101 3.266 -5.440 1.00 0.00 C ATOM 752 CG LEU A 54 8.617 1.872 -5.041 1.00 0.00 C ATOM 753 CD1 LEU A 54 8.504 1.758 -3.529 1.00 0.00 C ATOM 754 CD2 LEU A 54 7.282 1.562 -5.702 1.00 0.00 C ATOM 0 H LEU A 54 11.477 2.992 -6.600 1.00 0.00 H new ATOM 0 HA LEU A 54 8.667 3.026 -7.532 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.979 3.509 -4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.327 3.987 -5.177 1.00 0.00 H new ATOM 0 HG LEU A 54 9.349 1.142 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.158 0.759 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.480 1.936 -3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.793 2.497 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.953 0.566 -5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.541 2.297 -5.388 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.395 1.601 -6.785 1.00 0.00 H new ATOM 766 N ASP A 55 10.671 5.555 -6.841 1.00 0.00 N ATOM 767 CA ASP A 55 10.895 6.974 -7.090 1.00 0.00 C ATOM 768 C ASP A 55 9.681 7.798 -6.669 1.00 0.00 C ATOM 769 O ASP A 55 9.316 8.768 -7.333 1.00 0.00 O ATOM 770 CB ASP A 55 11.200 7.213 -8.570 1.00 0.00 C ATOM 771 CG ASP A 55 12.680 7.108 -8.880 1.00 0.00 C ATOM 772 OD1 ASP A 55 13.336 6.191 -8.342 1.00 0.00 O ATOM 773 OD2 ASP A 55 13.183 7.943 -9.661 1.00 0.00 O ATOM 0 H ASP A 55 11.431 5.089 -6.346 1.00 0.00 H new ATOM 0 HA ASP A 55 11.752 7.291 -6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.653 6.488 -9.172 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.841 8.201 -8.857 1.00 0.00 H new ATOM 778 N ASP A 56 9.060 7.403 -5.563 1.00 0.00 N ATOM 779 CA ASP A 56 7.887 8.104 -5.053 1.00 0.00 C ATOM 780 C ASP A 56 8.057 9.614 -5.186 1.00 0.00 C ATOM 781 O ASP A 56 9.139 10.163 -4.977 1.00 0.00 O ATOM 782 CB ASP A 56 7.641 7.732 -3.590 1.00 0.00 C ATOM 783 CG ASP A 56 6.172 7.785 -3.219 1.00 0.00 C ATOM 784 OD1 ASP A 56 5.363 7.118 -3.898 1.00 0.00 O ATOM 785 OD2 ASP A 56 5.830 8.494 -2.249 1.00 0.00 O ATOM 0 H ASP A 56 9.349 6.601 -5.002 1.00 0.00 H new ATOM 0 HA ASP A 56 7.025 7.800 -5.647 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.024 6.729 -3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.200 8.411 -2.946 1.00 0.00 H new ATOM 790 N PRO A 57 6.963 10.304 -5.542 1.00 0.00 N ATOM 791 CA PRO A 57 6.965 11.760 -5.711 1.00 0.00 C ATOM 792 C PRO A 57 7.118 12.497 -4.386 1.00 0.00 C ATOM 793 O PRO A 57 7.704 13.579 -4.330 1.00 0.00 O ATOM 794 CB PRO A 57 5.594 12.047 -6.329 1.00 0.00 C ATOM 795 CG PRO A 57 4.735 10.913 -5.888 1.00 0.00 C ATOM 796 CD PRO A 57 5.639 9.715 -5.807 1.00 0.00 C ATOM 0 HA PRO A 57 7.802 12.099 -6.322 1.00 0.00 H new ATOM 0 HB2 PRO A 57 5.197 13.002 -5.985 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.653 12.100 -7.416 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.278 11.123 -4.921 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.922 10.742 -6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.335 9.035 -5.011 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.632 9.143 -6.735 1.00 0.00 H new ATOM 804 N ILE A 58 6.587 11.906 -3.321 1.00 0.00 N ATOM 805 CA ILE A 58 6.666 12.507 -1.995 1.00 0.00 C ATOM 806 C ILE A 58 8.115 12.750 -1.587 1.00 0.00 C ATOM 807 O ILE A 58 8.451 13.806 -1.051 1.00 0.00 O ATOM 808 CB ILE A 58 5.988 11.620 -0.934 1.00 0.00 C ATOM 809 CG1 ILE A 58 4.558 11.280 -1.360 1.00 0.00 C ATOM 810 CG2 ILE A 58 5.992 12.317 0.419 1.00 0.00 C ATOM 811 CD1 ILE A 58 3.631 12.475 -1.373 1.00 0.00 C ATOM 0 H ILE A 58 6.097 11.012 -3.350 1.00 0.00 H new ATOM 0 HA ILE A 58 6.141 13.461 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 58 6.551 10.691 -0.844 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.580 10.837 -2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.156 10.526 -0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.510 11.678 1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.020 12.513 0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.449 13.259 0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.635 12.160 -1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.579 12.906 -0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.010 13.222 -2.071 1.00 0.00 H new ATOM 823 N SER A 59 8.970 11.767 -1.848 1.00 0.00 N ATOM 824 CA SER A 59 10.384 11.873 -1.506 1.00 0.00 C ATOM 825 C SER A 59 10.904 13.281 -1.777 1.00 0.00 C ATOM 826 O SER A 59 11.460 13.931 -0.893 1.00 0.00 O ATOM 827 CB SER A 59 11.201 10.853 -2.302 1.00 0.00 C ATOM 828 OG SER A 59 12.589 11.024 -2.076 1.00 0.00 O ATOM 0 H SER A 59 8.709 10.888 -2.295 1.00 0.00 H new ATOM 0 HA SER A 59 10.492 11.663 -0.442 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.905 9.843 -2.018 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.986 10.961 -3.365 1.00 0.00 H new ATOM 0 HG SER A 59 13.089 10.360 -2.594 1.00 0.00 H new ATOM 834 N GLY A 60 10.719 13.747 -3.009 1.00 0.00 N ATOM 835 CA GLY A 60 11.175 15.075 -3.376 1.00 0.00 C ATOM 836 C GLY A 60 12.484 15.048 -4.139 1.00 0.00 C ATOM 837 O GLY A 60 13.562 15.224 -3.571 1.00 0.00 O ATOM 0 H GLY A 60 10.262 13.228 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.413 15.562 -3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.296 15.676 -2.475 1.00 0.00 H new ATOM 841 N PRO A 61 12.400 14.822 -5.459 1.00 0.00 N ATOM 842 CA PRO A 61 13.579 14.766 -6.329 1.00 0.00 C ATOM 843 C PRO A 61 14.234 16.131 -6.506 1.00 0.00 C ATOM 844 O PRO A 61 13.665 17.156 -6.131 1.00 0.00 O ATOM 845 CB PRO A 61 13.012 14.268 -7.661 1.00 0.00 C ATOM 846 CG PRO A 61 11.580 14.678 -7.641 1.00 0.00 C ATOM 847 CD PRO A 61 11.148 14.603 -6.202 1.00 0.00 C ATOM 0 HA PRO A 61 14.360 14.128 -5.917 1.00 0.00 H new ATOM 0 HB2 PRO A 61 13.539 14.711 -8.506 1.00 0.00 H new ATOM 0 HB3 PRO A 61 13.113 13.187 -7.754 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.458 15.688 -8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.976 14.018 -8.265 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.402 15.362 -5.966 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.704 13.636 -5.965 1.00 0.00 H new ATOM 855 N SER A 62 15.433 16.137 -7.080 1.00 0.00 N ATOM 856 CA SER A 62 16.167 17.377 -7.303 1.00 0.00 C ATOM 857 C SER A 62 15.778 18.005 -8.639 1.00 0.00 C ATOM 858 O SER A 62 15.474 19.196 -8.712 1.00 0.00 O ATOM 859 CB SER A 62 17.674 17.116 -7.269 1.00 0.00 C ATOM 860 OG SER A 62 18.067 16.559 -6.027 1.00 0.00 O ATOM 0 H SER A 62 15.916 15.297 -7.399 1.00 0.00 H new ATOM 0 HA SER A 62 15.908 18.072 -6.505 1.00 0.00 H new ATOM 0 HB2 SER A 62 17.947 16.438 -8.078 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.212 18.049 -7.439 1.00 0.00 H new ATOM 0 HG SER A 62 19.034 16.400 -6.031 1.00 0.00 H new ATOM 866 N SER A 63 15.792 17.195 -9.693 1.00 0.00 N ATOM 867 CA SER A 63 15.445 17.671 -11.027 1.00 0.00 C ATOM 868 C SER A 63 13.946 17.538 -11.278 1.00 0.00 C ATOM 869 O SER A 63 13.280 18.502 -11.650 1.00 0.00 O ATOM 870 CB SER A 63 16.224 16.891 -12.088 1.00 0.00 C ATOM 871 OG SER A 63 15.923 15.508 -12.026 1.00 0.00 O ATOM 0 H SER A 63 16.040 16.207 -9.649 1.00 0.00 H new ATOM 0 HA SER A 63 15.714 18.725 -11.092 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.981 17.275 -13.078 1.00 0.00 H new ATOM 0 HB3 SER A 63 17.294 17.041 -11.942 1.00 0.00 H new ATOM 0 HG SER A 63 16.432 15.031 -12.715 1.00 0.00 H new ATOM 877 N GLY A 64 13.423 16.333 -11.072 1.00 0.00 N ATOM 878 CA GLY A 64 12.007 16.094 -11.281 1.00 0.00 C ATOM 879 C GLY A 64 11.748 15.018 -12.318 1.00 0.00 C ATOM 880 O GLY A 64 11.320 15.313 -13.434 1.00 0.00 O ATOM 0 H GLY A 64 13.954 15.519 -10.764 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.547 15.802 -10.337 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.528 17.021 -11.596 1.00 0.00 H new TER 884 GLY A 64