USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 494 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 22 TYR OH : rot 180:sc= -0.733 USER MOD Set 1.2: A 27 GLN : amide:sc= -0.245 K(o=-0.98,f=-2.2) USER MOD Set 2.1: A 13 CYS SG : rot 62:sc= 1.17 USER MOD Set 2.2: A 31 ASN : amide:sc= 2.19 K(o=3.4,f=-9.4!) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0769 (180deg=-0.491) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0248 (180deg=-0.266) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.35 K(o=-1.3,f=-6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= -0.0101 (180deg=-0.129) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.279 X(o=0.28,f=0) USER MOD Single : A 38 TYR OH : rot 165:sc= -1.18 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0368 USER MOD Single : A 58 ASN : amide:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.918 X(o=-0.92,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.085 19.010 -0.643 1.00 0.00 N ATOM 2 CA MET A 1 -7.912 18.100 0.178 1.00 0.00 C ATOM 3 C MET A 1 -7.026 17.377 1.181 1.00 0.00 C ATOM 4 O MET A 1 -6.220 16.526 0.805 1.00 0.00 O ATOM 5 CB MET A 1 -8.634 17.089 -0.716 1.00 0.00 C ATOM 6 CG MET A 1 -9.625 17.719 -1.683 1.00 0.00 C ATOM 7 SD MET A 1 -10.371 16.512 -2.803 1.00 0.00 S ATOM 8 CE MET A 1 -11.194 15.415 -1.646 1.00 0.00 C ATOM 0 H1 MET A 1 -7.700 19.692 -1.131 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.418 19.521 -0.030 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.554 18.457 -1.346 1.00 0.00 H new ATOM 0 HA MET A 1 -8.661 18.682 0.715 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.893 16.528 -1.285 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.161 16.373 -0.086 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.412 18.218 -1.117 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.118 18.486 -2.268 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.919 14.801 -2.180 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.456 14.772 -1.167 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.708 16.005 -0.887 1.00 0.00 H new ATOM 20 N SER A 2 -7.175 17.716 2.452 1.00 0.00 N ATOM 21 CA SER A 2 -6.284 17.210 3.482 1.00 0.00 C ATOM 22 C SER A 2 -6.960 16.160 4.353 1.00 0.00 C ATOM 23 O SER A 2 -7.853 16.476 5.142 1.00 0.00 O ATOM 24 CB SER A 2 -5.801 18.369 4.347 1.00 0.00 C ATOM 25 OG SER A 2 -5.223 19.388 3.548 1.00 0.00 O ATOM 0 H SER A 2 -7.906 18.340 2.794 1.00 0.00 H new ATOM 0 HA SER A 2 -5.437 16.731 2.990 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.637 18.777 4.916 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.069 18.009 5.070 1.00 0.00 H new ATOM 0 HG SER A 2 -4.921 20.123 4.122 1.00 0.00 H new ATOM 31 N LEU A 3 -6.512 14.916 4.196 1.00 0.00 N ATOM 32 CA LEU A 3 -6.948 13.788 5.023 1.00 0.00 C ATOM 33 C LEU A 3 -8.420 13.435 4.813 1.00 0.00 C ATOM 34 O LEU A 3 -9.325 14.162 5.230 1.00 0.00 O ATOM 35 CB LEU A 3 -6.671 14.041 6.515 1.00 0.00 C ATOM 36 CG LEU A 3 -5.209 13.887 6.968 1.00 0.00 C ATOM 37 CD1 LEU A 3 -4.656 12.534 6.547 1.00 0.00 C ATOM 38 CD2 LEU A 3 -4.341 15.015 6.426 1.00 0.00 C ATOM 0 H LEU A 3 -5.829 14.658 3.484 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.357 12.932 4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.001 15.051 6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.285 13.355 7.099 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.189 13.944 8.056 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.621 12.445 6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.251 11.741 7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.700 12.445 5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.314 14.878 6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.369 15.005 5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.718 15.971 6.790 1.00 0.00 H new ATOM 50 N ASP A 4 -8.653 12.303 4.171 1.00 0.00 N ATOM 51 CA ASP A 4 -10.004 11.787 3.984 1.00 0.00 C ATOM 52 C ASP A 4 -10.044 10.298 4.301 1.00 0.00 C ATOM 53 O ASP A 4 -9.824 9.456 3.428 1.00 0.00 O ATOM 54 CB ASP A 4 -10.519 12.037 2.564 1.00 0.00 C ATOM 55 CG ASP A 4 -11.975 11.631 2.407 1.00 0.00 C ATOM 56 OD1 ASP A 4 -12.246 10.431 2.214 1.00 0.00 O ATOM 57 OD2 ASP A 4 -12.859 12.513 2.477 1.00 0.00 O ATOM 0 H ASP A 4 -7.921 11.718 3.767 1.00 0.00 H new ATOM 0 HA ASP A 4 -10.659 12.322 4.671 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.409 13.093 2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.909 11.480 1.854 1.00 0.00 H new ATOM 62 N PRO A 5 -10.275 9.952 5.579 1.00 0.00 N ATOM 63 CA PRO A 5 -10.321 8.559 6.031 1.00 0.00 C ATOM 64 C PRO A 5 -11.494 7.792 5.426 1.00 0.00 C ATOM 65 O PRO A 5 -11.586 6.574 5.563 1.00 0.00 O ATOM 66 CB PRO A 5 -10.487 8.666 7.554 1.00 0.00 C ATOM 67 CG PRO A 5 -10.144 10.074 7.894 1.00 0.00 C ATOM 68 CD PRO A 5 -10.508 10.890 6.688 1.00 0.00 C ATOM 0 HA PRO A 5 -9.428 8.012 5.728 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -11.507 8.427 7.855 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.830 7.966 8.070 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.695 10.409 8.773 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.084 10.172 8.126 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.545 11.225 6.724 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -9.888 11.782 6.601 1.00 0.00 H new ATOM 76 N GLN A 6 -12.380 8.509 4.746 1.00 0.00 N ATOM 77 CA GLN A 6 -13.550 7.897 4.135 1.00 0.00 C ATOM 78 C GLN A 6 -13.144 7.125 2.882 1.00 0.00 C ATOM 79 O GLN A 6 -13.568 5.989 2.672 1.00 0.00 O ATOM 80 CB GLN A 6 -14.588 8.966 3.786 1.00 0.00 C ATOM 81 CG GLN A 6 -15.966 8.407 3.487 1.00 0.00 C ATOM 82 CD GLN A 6 -16.648 7.850 4.721 1.00 0.00 C ATOM 83 OE1 GLN A 6 -15.997 7.360 5.647 1.00 0.00 O ATOM 84 NE2 GLN A 6 -17.965 7.921 4.743 1.00 0.00 N ATOM 0 H GLN A 6 -12.309 9.517 4.604 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.994 7.202 4.848 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.664 9.670 4.615 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.239 9.529 2.920 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.587 9.192 3.056 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.880 7.621 2.737 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -18.467 8.334 3.957 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -18.482 7.563 5.546 1.00 0.00 H new ATOM 93 N LEU A 7 -12.318 7.753 2.055 1.00 0.00 N ATOM 94 CA LEU A 7 -11.771 7.104 0.872 1.00 0.00 C ATOM 95 C LEU A 7 -10.769 6.029 1.277 1.00 0.00 C ATOM 96 O LEU A 7 -10.601 5.021 0.585 1.00 0.00 O ATOM 97 CB LEU A 7 -11.087 8.130 -0.038 1.00 0.00 C ATOM 98 CG LEU A 7 -12.009 9.175 -0.666 1.00 0.00 C ATOM 99 CD1 LEU A 7 -11.200 10.219 -1.418 1.00 0.00 C ATOM 100 CD2 LEU A 7 -13.006 8.512 -1.595 1.00 0.00 C ATOM 0 H LEU A 7 -12.011 8.717 2.184 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.593 6.641 0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.321 8.648 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.576 7.595 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 7 -12.557 9.673 0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.874 10.954 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.519 10.718 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.626 9.735 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -13.655 9.270 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -12.472 7.989 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -13.609 7.800 -1.032 1.00 0.00 H new ATOM 112 N LEU A 8 -10.117 6.250 2.411 1.00 0.00 N ATOM 113 CA LEU A 8 -9.097 5.334 2.898 1.00 0.00 C ATOM 114 C LEU A 8 -9.723 4.076 3.489 1.00 0.00 C ATOM 115 O LEU A 8 -9.269 2.966 3.204 1.00 0.00 O ATOM 116 CB LEU A 8 -8.218 6.020 3.945 1.00 0.00 C ATOM 117 CG LEU A 8 -7.442 7.242 3.445 1.00 0.00 C ATOM 118 CD1 LEU A 8 -6.633 7.858 4.576 1.00 0.00 C ATOM 119 CD2 LEU A 8 -6.533 6.861 2.283 1.00 0.00 C ATOM 0 H LEU A 8 -10.278 7.059 3.012 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.479 5.043 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.848 6.326 4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.506 5.291 4.333 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.159 7.983 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.088 8.725 4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.304 8.168 5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.926 7.123 4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.990 7.742 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.823 6.102 2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.135 6.466 1.465 1.00 0.00 H new ATOM 131 N GLU A 9 -10.769 4.255 4.298 1.00 0.00 N ATOM 132 CA GLU A 9 -11.417 3.143 4.994 1.00 0.00 C ATOM 133 C GLU A 9 -10.436 2.472 5.955 1.00 0.00 C ATOM 134 O GLU A 9 -9.334 2.974 6.195 1.00 0.00 O ATOM 135 CB GLU A 9 -11.954 2.107 3.994 1.00 0.00 C ATOM 136 CG GLU A 9 -13.242 2.513 3.303 1.00 0.00 C ATOM 137 CD GLU A 9 -14.470 2.238 4.152 1.00 0.00 C ATOM 138 OE1 GLU A 9 -14.765 1.045 4.404 1.00 0.00 O ATOM 139 OE2 GLU A 9 -15.149 3.196 4.568 1.00 0.00 O ATOM 0 H GLU A 9 -11.187 5.166 4.488 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.256 3.546 5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.192 1.922 3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.118 1.165 4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.202 3.575 3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.329 1.975 2.359 1.00 0.00 H new ATOM 146 N VAL A 10 -10.849 1.357 6.530 1.00 0.00 N ATOM 147 CA VAL A 10 -9.960 0.537 7.329 1.00 0.00 C ATOM 148 C VAL A 10 -9.621 -0.724 6.547 1.00 0.00 C ATOM 149 O VAL A 10 -10.385 -1.693 6.534 1.00 0.00 O ATOM 150 CB VAL A 10 -10.580 0.161 8.694 1.00 0.00 C ATOM 151 CG1 VAL A 10 -9.596 -0.640 9.536 1.00 0.00 C ATOM 152 CG2 VAL A 10 -11.025 1.412 9.441 1.00 0.00 C ATOM 0 H VAL A 10 -11.801 0.998 6.457 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.058 1.113 7.536 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.455 -0.462 8.509 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.056 -0.892 10.491 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.328 -1.556 9.009 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.699 -0.046 9.711 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -11.459 1.128 10.400 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.165 2.060 9.610 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.770 1.944 8.849 1.00 0.00 H new ATOM 162 N LEU A 11 -8.500 -0.680 5.850 1.00 0.00 N ATOM 163 CA LEU A 11 -8.086 -1.782 4.997 1.00 0.00 C ATOM 164 C LEU A 11 -7.520 -2.923 5.828 1.00 0.00 C ATOM 165 O LEU A 11 -6.525 -2.756 6.536 1.00 0.00 O ATOM 166 CB LEU A 11 -7.053 -1.297 3.979 1.00 0.00 C ATOM 167 CG LEU A 11 -7.547 -0.192 3.043 1.00 0.00 C ATOM 168 CD1 LEU A 11 -6.425 0.269 2.132 1.00 0.00 C ATOM 169 CD2 LEU A 11 -8.742 -0.672 2.228 1.00 0.00 C ATOM 0 H LEU A 11 -7.856 0.111 5.858 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.960 -2.154 4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.176 -0.934 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.730 -2.146 3.377 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.869 0.656 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.792 1.055 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.603 0.655 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.073 -0.572 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.078 0.128 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.451 -1.536 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.552 -0.952 2.901 1.00 0.00 H new ATOM 181 N ALA A 12 -8.173 -4.070 5.757 1.00 0.00 N ATOM 182 CA ALA A 12 -7.734 -5.242 6.492 1.00 0.00 C ATOM 183 C ALA A 12 -7.261 -6.328 5.535 1.00 0.00 C ATOM 184 O ALA A 12 -7.781 -6.465 4.426 1.00 0.00 O ATOM 185 CB ALA A 12 -8.854 -5.754 7.386 1.00 0.00 C ATOM 0 H ALA A 12 -9.012 -4.214 5.195 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.892 -4.962 7.125 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.511 -6.633 7.931 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.139 -4.976 8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.716 -6.020 6.774 1.00 0.00 H new ATOM 191 N CYS A 13 -6.277 -7.095 5.974 1.00 0.00 N ATOM 192 CA CYS A 13 -5.641 -8.104 5.137 1.00 0.00 C ATOM 193 C CYS A 13 -6.564 -9.297 4.885 1.00 0.00 C ATOM 194 O CYS A 13 -7.436 -9.598 5.693 1.00 0.00 O ATOM 195 CB CYS A 13 -4.362 -8.578 5.819 1.00 0.00 C ATOM 196 SG CYS A 13 -3.348 -7.230 6.464 1.00 0.00 S ATOM 0 H CYS A 13 -5.896 -7.038 6.918 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.414 -7.654 4.170 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.623 -9.249 6.637 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.773 -9.157 5.107 1.00 0.00 H new ATOM 0 HG CYS A 13 -4.016 -6.580 7.371 1.00 0.00 H new ATOM 202 N PRO A 14 -6.383 -9.997 3.755 1.00 0.00 N ATOM 203 CA PRO A 14 -7.133 -11.217 3.451 1.00 0.00 C ATOM 204 C PRO A 14 -6.618 -12.419 4.243 1.00 0.00 C ATOM 205 O PRO A 14 -7.168 -13.516 4.156 1.00 0.00 O ATOM 206 CB PRO A 14 -6.900 -11.434 1.947 1.00 0.00 C ATOM 207 CG PRO A 14 -6.159 -10.228 1.465 1.00 0.00 C ATOM 208 CD PRO A 14 -5.473 -9.642 2.662 1.00 0.00 C ATOM 0 HA PRO A 14 -8.185 -11.118 3.717 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.324 -12.342 1.769 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.846 -11.547 1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.435 -10.499 0.697 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.842 -9.506 1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.479 -10.065 2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.350 -8.563 2.571 1.00 0.00 H new ATOM 216 N LYS A 15 -5.550 -12.203 5.004 1.00 0.00 N ATOM 217 CA LYS A 15 -4.956 -13.264 5.802 1.00 0.00 C ATOM 218 C LYS A 15 -5.640 -13.384 7.162 1.00 0.00 C ATOM 219 O LYS A 15 -6.431 -14.297 7.391 1.00 0.00 O ATOM 220 CB LYS A 15 -3.458 -13.012 5.998 1.00 0.00 C ATOM 221 CG LYS A 15 -2.650 -13.044 4.707 1.00 0.00 C ATOM 222 CD LYS A 15 -2.723 -14.404 4.030 1.00 0.00 C ATOM 223 CE LYS A 15 -2.200 -15.510 4.934 1.00 0.00 C ATOM 224 NZ LYS A 15 -2.328 -16.847 4.303 1.00 0.00 N ATOM 0 H LYS A 15 -5.080 -11.301 5.083 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.096 -14.201 5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.323 -12.041 6.475 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.060 -13.762 6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.022 -12.278 4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.610 -12.801 4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.755 -14.618 3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.143 -14.383 3.107 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.154 -15.320 5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.749 -15.499 5.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.961 -17.573 4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.329 -17.040 4.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.784 -16.866 3.417 1.00 0.00 H new ATOM 238 N ASP A 16 -5.330 -12.455 8.055 1.00 0.00 N ATOM 239 CA ASP A 16 -5.877 -12.468 9.411 1.00 0.00 C ATOM 240 C ASP A 16 -6.927 -11.376 9.567 1.00 0.00 C ATOM 241 O ASP A 16 -7.514 -11.205 10.640 1.00 0.00 O ATOM 242 CB ASP A 16 -4.751 -12.247 10.428 1.00 0.00 C ATOM 243 CG ASP A 16 -4.173 -10.843 10.366 1.00 0.00 C ATOM 244 OD1 ASP A 16 -4.037 -10.296 9.245 1.00 0.00 O ATOM 245 OD2 ASP A 16 -3.851 -10.284 11.434 1.00 0.00 O ATOM 0 H ASP A 16 -4.699 -11.676 7.866 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.343 -13.437 9.591 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.132 -12.435 11.432 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.956 -12.971 10.248 1.00 0.00 H new ATOM 250 N LYS A 17 -7.147 -10.645 8.478 1.00 0.00 N ATOM 251 CA LYS A 17 -8.041 -9.490 8.453 1.00 0.00 C ATOM 252 C LYS A 17 -7.578 -8.441 9.461 1.00 0.00 C ATOM 253 O LYS A 17 -8.383 -7.723 10.062 1.00 0.00 O ATOM 254 CB LYS A 17 -9.497 -9.904 8.708 1.00 0.00 C ATOM 255 CG LYS A 17 -10.507 -8.916 8.138 1.00 0.00 C ATOM 256 CD LYS A 17 -11.937 -9.401 8.293 1.00 0.00 C ATOM 257 CE LYS A 17 -12.930 -8.414 7.688 1.00 0.00 C ATOM 258 NZ LYS A 17 -12.778 -8.291 6.210 1.00 0.00 N ATOM 0 H LYS A 17 -6.706 -10.839 7.579 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.002 -9.049 7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.671 -10.887 8.269 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.658 -10.001 9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.395 -7.955 8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.294 -8.751 7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.047 -10.372 7.810 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.162 -9.543 9.350 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.945 -8.735 7.921 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.792 -7.435 8.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.592 -7.775 5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.903 -7.773 5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.733 -9.239 5.786 1.00 0.00 H new ATOM 272 N GLY A 18 -6.267 -8.361 9.638 1.00 0.00 N ATOM 273 CA GLY A 18 -5.692 -7.346 10.486 1.00 0.00 C ATOM 274 C GLY A 18 -5.469 -6.050 9.735 1.00 0.00 C ATOM 275 O GLY A 18 -5.331 -6.063 8.506 1.00 0.00 O ATOM 0 H GLY A 18 -5.590 -8.988 9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.350 -7.166 11.336 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.743 -7.702 10.888 1.00 0.00 H new ATOM 279 N PRO A 19 -5.433 -4.914 10.448 1.00 0.00 N ATOM 280 CA PRO A 19 -5.258 -3.591 9.838 1.00 0.00 C ATOM 281 C PRO A 19 -3.943 -3.460 9.076 1.00 0.00 C ATOM 282 O PRO A 19 -2.872 -3.799 9.589 1.00 0.00 O ATOM 283 CB PRO A 19 -5.274 -2.630 11.032 1.00 0.00 C ATOM 284 CG PRO A 19 -5.944 -3.389 12.127 1.00 0.00 C ATOM 285 CD PRO A 19 -5.566 -4.826 11.913 1.00 0.00 C ATOM 0 HA PRO A 19 -6.035 -3.391 9.100 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.264 -2.336 11.316 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.817 -1.715 10.796 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.614 -3.039 13.105 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.026 -3.259 12.089 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.635 -5.079 12.420 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.329 -5.506 12.291 1.00 0.00 H new ATOM 293 N LEU A 20 -4.037 -2.974 7.849 1.00 0.00 N ATOM 294 CA LEU A 20 -2.867 -2.736 7.022 1.00 0.00 C ATOM 295 C LEU A 20 -2.179 -1.437 7.413 1.00 0.00 C ATOM 296 O LEU A 20 -2.832 -0.408 7.612 1.00 0.00 O ATOM 297 CB LEU A 20 -3.263 -2.696 5.545 1.00 0.00 C ATOM 298 CG LEU A 20 -3.517 -4.062 4.908 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.292 -3.915 3.610 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.193 -4.770 4.656 1.00 0.00 C ATOM 0 H LEU A 20 -4.922 -2.735 7.401 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.166 -3.556 7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.163 -2.091 5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.474 -2.192 4.986 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.115 -4.660 5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.462 -4.899 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.251 -3.437 3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.721 -3.303 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.381 -5.743 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.581 -4.168 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.668 -4.906 5.601 1.00 0.00 H new ATOM 312 N ARG A 21 -0.862 -1.494 7.528 1.00 0.00 N ATOM 313 CA ARG A 21 -0.071 -0.317 7.837 1.00 0.00 C ATOM 314 C ARG A 21 0.225 0.440 6.546 1.00 0.00 C ATOM 315 O ARG A 21 0.972 -0.041 5.694 1.00 0.00 O ATOM 316 CB ARG A 21 1.228 -0.736 8.531 1.00 0.00 C ATOM 317 CG ARG A 21 1.933 0.388 9.266 1.00 0.00 C ATOM 318 CD ARG A 21 3.199 -0.114 9.938 1.00 0.00 C ATOM 319 NE ARG A 21 3.767 0.871 10.854 1.00 0.00 N ATOM 320 CZ ARG A 21 5.074 1.039 11.054 1.00 0.00 C ATOM 321 NH1 ARG A 21 5.955 0.316 10.363 1.00 0.00 N ATOM 322 NH2 ARG A 21 5.493 1.921 11.954 1.00 0.00 N ATOM 0 H ARG A 21 -0.317 -2.348 7.411 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.624 0.337 8.511 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.007 -1.535 9.239 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.907 -1.150 7.786 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.180 1.187 8.566 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.264 0.815 10.014 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.979 -1.031 10.485 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.937 -0.367 9.176 1.00 0.00 H new ATOM 0 HE ARG A 21 3.123 1.468 11.373 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.629 -0.368 9.679 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.955 0.446 10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.816 2.466 12.488 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.492 2.054 12.111 1.00 0.00 H new ATOM 336 N TYR A 22 -0.385 1.605 6.400 1.00 0.00 N ATOM 337 CA TYR A 22 -0.281 2.372 5.168 1.00 0.00 C ATOM 338 C TYR A 22 0.942 3.280 5.175 1.00 0.00 C ATOM 339 O TYR A 22 1.078 4.154 6.032 1.00 0.00 O ATOM 340 CB TYR A 22 -1.553 3.203 4.956 1.00 0.00 C ATOM 341 CG TYR A 22 -1.473 4.171 3.795 1.00 0.00 C ATOM 342 CD1 TYR A 22 -1.393 3.714 2.487 1.00 0.00 C ATOM 343 CD2 TYR A 22 -1.487 5.545 4.009 1.00 0.00 C ATOM 344 CE1 TYR A 22 -1.323 4.595 1.427 1.00 0.00 C ATOM 345 CE2 TYR A 22 -1.418 6.432 2.954 1.00 0.00 C ATOM 346 CZ TYR A 22 -1.336 5.952 1.664 1.00 0.00 C ATOM 347 OH TYR A 22 -1.269 6.831 0.609 1.00 0.00 O ATOM 0 H TYR A 22 -0.959 2.042 7.121 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.168 1.667 4.344 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.393 2.527 4.794 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.765 3.762 5.867 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.385 2.651 2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.553 5.924 5.018 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.258 4.222 0.416 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.428 7.496 3.138 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.290 7.750 0.947 1.00 0.00 H new ATOM 357 N LEU A 23 1.833 3.052 4.223 1.00 0.00 N ATOM 358 CA LEU A 23 2.960 3.941 4.001 1.00 0.00 C ATOM 359 C LEU A 23 2.550 5.027 3.014 1.00 0.00 C ATOM 360 O LEU A 23 2.161 4.730 1.882 1.00 0.00 O ATOM 361 CB LEU A 23 4.184 3.179 3.470 1.00 0.00 C ATOM 362 CG LEU A 23 4.937 2.313 4.491 1.00 0.00 C ATOM 363 CD1 LEU A 23 5.301 3.127 5.722 1.00 0.00 C ATOM 364 CD2 LEU A 23 4.128 1.084 4.882 1.00 0.00 C ATOM 0 H LEU A 23 1.796 2.254 3.589 1.00 0.00 H new ATOM 0 HA LEU A 23 3.242 4.389 4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.860 2.538 2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.884 3.903 3.052 1.00 0.00 H new ATOM 0 HG LEU A 23 5.857 1.969 4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.834 2.494 6.432 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.938 3.962 5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.392 3.509 6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.690 0.494 5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.182 1.397 5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.931 0.481 3.996 1.00 0.00 H new ATOM 376 N GLU A 24 2.649 6.274 3.444 1.00 0.00 N ATOM 377 CA GLU A 24 2.149 7.402 2.669 1.00 0.00 C ATOM 378 C GLU A 24 3.100 7.750 1.527 1.00 0.00 C ATOM 379 O GLU A 24 2.709 8.412 0.565 1.00 0.00 O ATOM 380 CB GLU A 24 1.969 8.620 3.576 1.00 0.00 C ATOM 381 CG GLU A 24 1.111 8.349 4.802 1.00 0.00 C ATOM 382 CD GLU A 24 0.972 9.565 5.694 1.00 0.00 C ATOM 383 OE1 GLU A 24 1.964 9.942 6.357 1.00 0.00 O ATOM 384 OE2 GLU A 24 -0.129 10.153 5.741 1.00 0.00 O ATOM 0 H GLU A 24 3.075 6.534 4.334 1.00 0.00 H new ATOM 0 HA GLU A 24 1.187 7.118 2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.950 8.969 3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.518 9.428 2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.121 8.021 4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.549 7.531 5.374 1.00 0.00 H new ATOM 391 N SER A 25 4.344 7.303 1.646 1.00 0.00 N ATOM 392 CA SER A 25 5.367 7.596 0.648 1.00 0.00 C ATOM 393 C SER A 25 4.971 7.099 -0.746 1.00 0.00 C ATOM 394 O SER A 25 4.783 7.896 -1.665 1.00 0.00 O ATOM 395 CB SER A 25 6.694 6.962 1.066 1.00 0.00 C ATOM 396 OG SER A 25 7.076 7.382 2.366 1.00 0.00 O ATOM 0 H SER A 25 4.670 6.734 2.427 1.00 0.00 H new ATOM 0 HA SER A 25 5.473 8.679 0.593 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.604 5.876 1.044 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.471 7.233 0.351 1.00 0.00 H new ATOM 0 HG SER A 25 7.927 6.961 2.609 1.00 0.00 H new ATOM 402 N GLU A 26 4.833 5.790 -0.891 1.00 0.00 N ATOM 403 CA GLU A 26 4.588 5.190 -2.197 1.00 0.00 C ATOM 404 C GLU A 26 3.353 4.303 -2.171 1.00 0.00 C ATOM 405 O GLU A 26 3.216 3.398 -2.995 1.00 0.00 O ATOM 406 CB GLU A 26 5.812 4.378 -2.620 1.00 0.00 C ATOM 407 CG GLU A 26 7.063 5.218 -2.816 1.00 0.00 C ATOM 408 CD GLU A 26 8.304 4.374 -3.004 1.00 0.00 C ATOM 409 OE1 GLU A 26 8.502 3.835 -4.115 1.00 0.00 O ATOM 410 OE2 GLU A 26 9.080 4.237 -2.040 1.00 0.00 O ATOM 0 H GLU A 26 4.886 5.122 -0.122 1.00 0.00 H new ATOM 0 HA GLU A 26 4.410 5.987 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.011 3.617 -1.866 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.587 3.855 -3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.931 5.863 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.198 5.870 -1.953 1.00 0.00 H new ATOM 417 N GLN A 27 2.449 4.591 -1.234 1.00 0.00 N ATOM 418 CA GLN A 27 1.209 3.830 -1.078 1.00 0.00 C ATOM 419 C GLN A 27 1.495 2.338 -0.916 1.00 0.00 C ATOM 420 O GLN A 27 1.273 1.543 -1.832 1.00 0.00 O ATOM 421 CB GLN A 27 0.253 4.062 -2.262 1.00 0.00 C ATOM 422 CG GLN A 27 -0.392 5.442 -2.286 1.00 0.00 C ATOM 423 CD GLN A 27 0.560 6.544 -2.713 1.00 0.00 C ATOM 424 OE1 GLN A 27 1.462 6.330 -3.523 1.00 0.00 O ATOM 425 NE2 GLN A 27 0.373 7.727 -2.159 1.00 0.00 N ATOM 0 H GLN A 27 2.555 5.354 -0.565 1.00 0.00 H new ATOM 0 HA GLN A 27 0.722 4.190 -0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.802 3.914 -3.192 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.533 3.307 -2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.244 5.425 -2.965 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.780 5.671 -1.293 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.386 7.863 -1.492 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.988 8.505 -2.398 1.00 0.00 H new ATOM 434 N LEU A 28 2.008 1.973 0.247 1.00 0.00 N ATOM 435 CA LEU A 28 2.329 0.582 0.534 1.00 0.00 C ATOM 436 C LEU A 28 1.512 0.091 1.713 1.00 0.00 C ATOM 437 O LEU A 28 1.328 0.816 2.690 1.00 0.00 O ATOM 438 CB LEU A 28 3.821 0.411 0.836 1.00 0.00 C ATOM 439 CG LEU A 28 4.774 0.778 -0.303 1.00 0.00 C ATOM 440 CD1 LEU A 28 6.217 0.600 0.143 1.00 0.00 C ATOM 441 CD2 LEU A 28 4.489 -0.066 -1.540 1.00 0.00 C ATOM 0 H LEU A 28 2.212 2.620 1.009 1.00 0.00 H new ATOM 0 HA LEU A 28 2.085 -0.008 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.070 1.021 1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.000 -0.627 1.115 1.00 0.00 H new ATOM 0 HG LEU A 28 4.614 1.824 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.886 0.864 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.416 1.247 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.384 -0.439 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.179 0.212 -2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.620 -1.121 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.465 0.106 -1.870 1.00 0.00 H new ATOM 453 N LEU A 29 1.016 -1.130 1.615 1.00 0.00 N ATOM 454 CA LEU A 29 0.249 -1.728 2.695 1.00 0.00 C ATOM 455 C LEU A 29 1.004 -2.912 3.267 1.00 0.00 C ATOM 456 O LEU A 29 1.158 -3.938 2.608 1.00 0.00 O ATOM 457 CB LEU A 29 -1.121 -2.176 2.183 1.00 0.00 C ATOM 458 CG LEU A 29 -2.029 -1.051 1.690 1.00 0.00 C ATOM 459 CD1 LEU A 29 -3.313 -1.623 1.110 1.00 0.00 C ATOM 460 CD2 LEU A 29 -2.340 -0.084 2.825 1.00 0.00 C ATOM 0 H LEU A 29 1.131 -1.728 0.797 1.00 0.00 H new ATOM 0 HA LEU A 29 0.103 -0.986 3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.973 -2.885 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.633 -2.711 2.983 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.509 -0.504 0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.950 -0.809 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.074 -2.279 0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.837 -2.192 1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.988 0.712 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.843 -0.619 3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.412 0.348 3.200 1.00 0.00 H new ATOM 472 N VAL A 30 1.492 -2.763 4.487 1.00 0.00 N ATOM 473 CA VAL A 30 2.266 -3.813 5.126 1.00 0.00 C ATOM 474 C VAL A 30 1.537 -4.360 6.346 1.00 0.00 C ATOM 475 O VAL A 30 1.075 -3.602 7.199 1.00 0.00 O ATOM 476 CB VAL A 30 3.664 -3.308 5.549 1.00 0.00 C ATOM 477 CG1 VAL A 30 4.476 -4.428 6.184 1.00 0.00 C ATOM 478 CG2 VAL A 30 4.407 -2.717 4.358 1.00 0.00 C ATOM 0 H VAL A 30 1.366 -1.925 5.055 1.00 0.00 H new ATOM 0 HA VAL A 30 2.389 -4.610 4.393 1.00 0.00 H new ATOM 0 HB VAL A 30 3.528 -2.523 6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.456 -4.048 6.473 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.956 -4.799 7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.599 -5.240 5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.389 -2.368 4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.527 -3.480 3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.838 -1.880 3.953 1.00 0.00 H new ATOM 488 N ASN A 31 1.420 -5.676 6.413 1.00 0.00 N ATOM 489 CA ASN A 31 0.853 -6.337 7.578 1.00 0.00 C ATOM 490 C ASN A 31 1.930 -6.451 8.649 1.00 0.00 C ATOM 491 O ASN A 31 2.935 -7.136 8.454 1.00 0.00 O ATOM 492 CB ASN A 31 0.322 -7.729 7.207 1.00 0.00 C ATOM 493 CG ASN A 31 -0.280 -8.461 8.394 1.00 0.00 C ATOM 494 OD1 ASN A 31 0.429 -9.103 9.158 1.00 0.00 O ATOM 495 ND2 ASN A 31 -1.591 -8.388 8.545 1.00 0.00 N ATOM 0 H ASN A 31 1.712 -6.311 5.670 1.00 0.00 H new ATOM 0 HA ASN A 31 0.016 -5.750 7.956 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.432 -7.630 6.426 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.135 -8.325 6.792 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.043 -8.876 9.318 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.150 -7.843 7.889 1.00 0.00 H new ATOM 502 N GLU A 32 1.712 -5.791 9.779 1.00 0.00 N ATOM 503 CA GLU A 32 2.735 -5.678 10.816 1.00 0.00 C ATOM 504 C GLU A 32 2.826 -6.958 11.657 1.00 0.00 C ATOM 505 O GLU A 32 3.622 -7.045 12.591 1.00 0.00 O ATOM 506 CB GLU A 32 2.429 -4.476 11.718 1.00 0.00 C ATOM 507 CG GLU A 32 3.596 -4.051 12.594 1.00 0.00 C ATOM 508 CD GLU A 32 3.195 -3.048 13.656 1.00 0.00 C ATOM 509 OE1 GLU A 32 2.718 -3.477 14.728 1.00 0.00 O ATOM 510 OE2 GLU A 32 3.364 -1.834 13.431 1.00 0.00 O ATOM 0 H GLU A 32 0.834 -5.324 10.003 1.00 0.00 H new ATOM 0 HA GLU A 32 3.698 -5.531 10.327 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.129 -3.633 11.095 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.579 -4.719 12.355 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.024 -4.931 13.074 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.376 -3.619 11.968 1.00 0.00 H new ATOM 517 N ARG A 33 2.017 -7.953 11.322 1.00 0.00 N ATOM 518 CA ARG A 33 1.990 -9.196 12.087 1.00 0.00 C ATOM 519 C ARG A 33 2.746 -10.310 11.362 1.00 0.00 C ATOM 520 O ARG A 33 3.565 -11.005 11.956 1.00 0.00 O ATOM 521 CB ARG A 33 0.540 -9.619 12.352 1.00 0.00 C ATOM 522 CG ARG A 33 -0.240 -8.600 13.170 1.00 0.00 C ATOM 523 CD ARG A 33 -1.708 -8.976 13.299 1.00 0.00 C ATOM 524 NE ARG A 33 -2.436 -8.026 14.143 1.00 0.00 N ATOM 525 CZ ARG A 33 -3.760 -7.870 14.133 1.00 0.00 C ATOM 526 NH1 ARG A 33 -4.520 -8.583 13.308 1.00 0.00 N ATOM 527 NH2 ARG A 33 -4.318 -6.979 14.944 1.00 0.00 N ATOM 0 H ARG A 33 1.374 -7.927 10.531 1.00 0.00 H new ATOM 0 HA ARG A 33 2.489 -9.020 13.040 1.00 0.00 H new ATOM 0 HB2 ARG A 33 0.034 -9.775 11.399 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.537 -10.575 12.875 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.202 -8.518 14.163 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.157 -7.619 12.702 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.164 -9.008 12.310 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.792 -9.977 13.721 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.893 -7.444 14.782 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.091 -9.258 12.674 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.532 -8.456 13.309 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.735 -6.421 15.567 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.330 -6.852 14.944 1.00 0.00 H new ATOM 541 N LEU A 34 2.474 -10.465 10.074 1.00 0.00 N ATOM 542 CA LEU A 34 3.063 -11.543 9.287 1.00 0.00 C ATOM 543 C LEU A 34 4.231 -11.044 8.437 1.00 0.00 C ATOM 544 O LEU A 34 4.931 -11.842 7.807 1.00 0.00 O ATOM 545 CB LEU A 34 1.994 -12.166 8.386 1.00 0.00 C ATOM 546 CG LEU A 34 0.751 -12.679 9.115 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.305 -13.123 8.118 1.00 0.00 C ATOM 548 CD2 LEU A 34 1.111 -13.823 10.052 1.00 0.00 C ATOM 0 H LEU A 34 1.847 -9.856 9.549 1.00 0.00 H new ATOM 0 HA LEU A 34 3.448 -12.294 9.977 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.684 -11.425 7.649 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.442 -12.994 7.836 1.00 0.00 H new ATOM 0 HG LEU A 34 0.343 -11.863 9.711 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.182 -13.485 8.654 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.587 -12.280 7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.096 -13.923 7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.213 -14.173 10.561 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.545 -14.641 9.477 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.834 -13.475 10.790 1.00 0.00 H new ATOM 560 N ASN A 35 4.428 -9.723 8.422 1.00 0.00 N ATOM 561 CA ASN A 35 5.519 -9.088 7.664 1.00 0.00 C ATOM 562 C ASN A 35 5.306 -9.295 6.159 1.00 0.00 C ATOM 563 O ASN A 35 6.224 -9.662 5.420 1.00 0.00 O ATOM 564 CB ASN A 35 6.882 -9.652 8.108 1.00 0.00 C ATOM 565 CG ASN A 35 8.060 -8.759 7.744 1.00 0.00 C ATOM 566 OD1 ASN A 35 8.421 -7.854 8.494 1.00 0.00 O ATOM 567 ND2 ASN A 35 8.681 -9.023 6.606 1.00 0.00 N ATOM 0 H ASN A 35 3.841 -9.063 8.931 1.00 0.00 H new ATOM 0 HA ASN A 35 5.513 -8.017 7.868 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.870 -9.801 9.188 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.026 -10.632 7.653 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.489 -8.467 6.325 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.352 -9.782 6.010 1.00 0.00 H new ATOM 574 N LEU A 36 4.079 -9.041 5.712 1.00 0.00 N ATOM 575 CA LEU A 36 3.715 -9.203 4.308 1.00 0.00 C ATOM 576 C LEU A 36 3.296 -7.861 3.723 1.00 0.00 C ATOM 577 O LEU A 36 2.768 -7.008 4.437 1.00 0.00 O ATOM 578 CB LEU A 36 2.570 -10.216 4.159 1.00 0.00 C ATOM 579 CG LEU A 36 2.884 -11.640 4.628 1.00 0.00 C ATOM 580 CD1 LEU A 36 1.659 -12.528 4.487 1.00 0.00 C ATOM 581 CD2 LEU A 36 4.057 -12.216 3.847 1.00 0.00 C ATOM 0 H LEU A 36 3.315 -8.720 6.307 1.00 0.00 H new ATOM 0 HA LEU A 36 4.584 -9.578 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.709 -9.850 4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.276 -10.254 3.110 1.00 0.00 H new ATOM 0 HG LEU A 36 3.162 -11.602 5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.900 -13.536 4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.847 -12.127 5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.351 -12.559 3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.264 -13.228 4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.810 -12.241 2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.938 -11.592 4.000 1.00 0.00 H new ATOM 593 N ALA A 37 3.526 -7.678 2.433 1.00 0.00 N ATOM 594 CA ALA A 37 3.251 -6.404 1.792 1.00 0.00 C ATOM 595 C ALA A 37 2.287 -6.567 0.629 1.00 0.00 C ATOM 596 O ALA A 37 2.359 -7.542 -0.128 1.00 0.00 O ATOM 597 CB ALA A 37 4.545 -5.759 1.321 1.00 0.00 C ATOM 0 H ALA A 37 3.902 -8.394 1.811 1.00 0.00 H new ATOM 0 HA ALA A 37 2.780 -5.753 2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.323 -4.805 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.201 -5.592 2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.040 -6.417 0.607 1.00 0.00 H new ATOM 603 N TYR A 38 1.382 -5.609 0.506 1.00 0.00 N ATOM 604 CA TYR A 38 0.424 -5.567 -0.586 1.00 0.00 C ATOM 605 C TYR A 38 0.622 -4.285 -1.386 1.00 0.00 C ATOM 606 O TYR A 38 0.980 -3.245 -0.826 1.00 0.00 O ATOM 607 CB TYR A 38 -1.012 -5.633 -0.051 1.00 0.00 C ATOM 608 CG TYR A 38 -1.352 -6.933 0.647 1.00 0.00 C ATOM 609 CD1 TYR A 38 -1.865 -8.008 -0.064 1.00 0.00 C ATOM 610 CD2 TYR A 38 -1.165 -7.081 2.018 1.00 0.00 C ATOM 611 CE1 TYR A 38 -2.182 -9.194 0.566 1.00 0.00 C ATOM 612 CE2 TYR A 38 -1.480 -8.265 2.655 1.00 0.00 C ATOM 613 CZ TYR A 38 -1.988 -9.316 1.925 1.00 0.00 C ATOM 614 OH TYR A 38 -2.304 -10.497 2.553 1.00 0.00 O ATOM 0 H TYR A 38 1.291 -4.835 1.164 1.00 0.00 H new ATOM 0 HA TYR A 38 0.589 -6.430 -1.231 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.168 -4.808 0.644 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.704 -5.486 -0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.019 -7.915 -1.129 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.767 -6.257 2.593 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.580 -10.022 -0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.329 -8.366 3.720 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.895 -10.514 3.444 1.00 0.00 H new ATOM 624 N ARG A 39 0.394 -4.357 -2.692 1.00 0.00 N ATOM 625 CA ARG A 39 0.599 -3.211 -3.567 1.00 0.00 C ATOM 626 C ARG A 39 -0.709 -2.470 -3.806 1.00 0.00 C ATOM 627 O ARG A 39 -1.775 -3.080 -3.906 1.00 0.00 O ATOM 628 CB ARG A 39 1.197 -3.655 -4.907 1.00 0.00 C ATOM 629 CG ARG A 39 2.475 -4.465 -4.770 1.00 0.00 C ATOM 630 CD ARG A 39 3.074 -4.799 -6.127 1.00 0.00 C ATOM 631 NE ARG A 39 4.200 -5.721 -6.009 1.00 0.00 N ATOM 632 CZ ARG A 39 5.434 -5.461 -6.449 1.00 0.00 C ATOM 633 NH1 ARG A 39 5.704 -4.321 -7.076 1.00 0.00 N ATOM 634 NH2 ARG A 39 6.398 -6.351 -6.269 1.00 0.00 N ATOM 0 H ARG A 39 0.067 -5.198 -3.168 1.00 0.00 H new ATOM 0 HA ARG A 39 1.298 -2.535 -3.074 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.458 -4.248 -5.445 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.400 -2.773 -5.514 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.200 -3.905 -4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.266 -5.387 -4.227 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.308 -5.240 -6.764 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.404 -3.882 -6.614 1.00 0.00 H new ATOM 0 HE ARG A 39 4.033 -6.622 -5.561 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.965 -3.634 -7.226 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.650 -4.133 -7.408 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.197 -7.232 -5.796 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.341 -6.156 -6.604 1.00 0.00 H new ATOM 648 N ILE A 40 -0.625 -1.153 -3.866 1.00 0.00 N ATOM 649 CA ILE A 40 -1.774 -0.329 -4.196 1.00 0.00 C ATOM 650 C ILE A 40 -1.637 0.186 -5.623 1.00 0.00 C ATOM 651 O ILE A 40 -0.747 0.984 -5.921 1.00 0.00 O ATOM 652 CB ILE A 40 -1.922 0.867 -3.231 1.00 0.00 C ATOM 653 CG1 ILE A 40 -2.060 0.374 -1.789 1.00 0.00 C ATOM 654 CG2 ILE A 40 -3.123 1.721 -3.617 1.00 0.00 C ATOM 655 CD1 ILE A 40 -2.159 1.492 -0.771 1.00 0.00 C ATOM 0 H ILE A 40 0.232 -0.629 -3.689 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.666 -0.948 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.025 1.482 -3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.947 -0.255 -1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.203 -0.253 -1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.211 2.559 -2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.990 2.099 -4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.029 1.117 -3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.255 1.067 0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.261 2.108 -0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.033 2.106 -0.989 1.00 0.00 H new ATOM 667 N ASP A 41 -2.511 -0.279 -6.504 1.00 0.00 N ATOM 668 CA ASP A 41 -2.443 0.105 -7.906 1.00 0.00 C ATOM 669 C ASP A 41 -3.301 1.334 -8.171 1.00 0.00 C ATOM 670 O ASP A 41 -4.516 1.233 -8.364 1.00 0.00 O ATOM 671 CB ASP A 41 -2.885 -1.047 -8.809 1.00 0.00 C ATOM 672 CG ASP A 41 -2.696 -0.729 -10.281 1.00 0.00 C ATOM 673 OD1 ASP A 41 -1.553 -0.846 -10.774 1.00 0.00 O ATOM 674 OD2 ASP A 41 -3.684 -0.362 -10.951 1.00 0.00 O ATOM 0 H ASP A 41 -3.271 -0.919 -6.275 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.405 0.347 -8.135 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.317 -1.942 -8.557 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.935 -1.272 -8.620 1.00 0.00 H new ATOM 679 N ASP A 42 -2.659 2.499 -8.110 1.00 0.00 N ATOM 680 CA ASP A 42 -3.284 3.789 -8.443 1.00 0.00 C ATOM 681 C ASP A 42 -4.496 4.094 -7.551 1.00 0.00 C ATOM 682 O ASP A 42 -5.300 4.973 -7.852 1.00 0.00 O ATOM 683 CB ASP A 42 -3.690 3.819 -9.924 1.00 0.00 C ATOM 684 CG ASP A 42 -3.995 5.222 -10.420 1.00 0.00 C ATOM 685 OD1 ASP A 42 -3.073 6.065 -10.428 1.00 0.00 O ATOM 686 OD2 ASP A 42 -5.149 5.490 -10.816 1.00 0.00 O ATOM 0 H ASP A 42 -1.683 2.581 -7.826 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.542 4.566 -8.258 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.887 3.392 -10.525 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.567 3.188 -10.069 1.00 0.00 H new ATOM 691 N GLY A 43 -4.613 3.380 -6.440 1.00 0.00 N ATOM 692 CA GLY A 43 -5.728 3.604 -5.540 1.00 0.00 C ATOM 693 C GLY A 43 -6.497 2.335 -5.236 1.00 0.00 C ATOM 694 O GLY A 43 -7.400 2.334 -4.396 1.00 0.00 O ATOM 0 H GLY A 43 -3.960 2.653 -6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.358 4.032 -4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.404 4.337 -5.981 1.00 0.00 H new ATOM 698 N ILE A 44 -6.151 1.254 -5.920 1.00 0.00 N ATOM 699 CA ILE A 44 -6.776 -0.035 -5.664 1.00 0.00 C ATOM 700 C ILE A 44 -5.803 -0.971 -4.959 1.00 0.00 C ATOM 701 O ILE A 44 -4.792 -1.373 -5.532 1.00 0.00 O ATOM 702 CB ILE A 44 -7.270 -0.703 -6.964 1.00 0.00 C ATOM 703 CG1 ILE A 44 -8.279 0.202 -7.668 1.00 0.00 C ATOM 704 CG2 ILE A 44 -7.887 -2.065 -6.659 1.00 0.00 C ATOM 705 CD1 ILE A 44 -8.775 -0.356 -8.983 1.00 0.00 C ATOM 0 H ILE A 44 -5.443 1.244 -6.654 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.638 0.151 -5.024 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.419 -0.855 -7.628 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.131 0.366 -7.008 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.821 1.175 -7.845 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.231 -2.524 -7.586 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.140 -2.706 -6.192 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.731 -1.938 -5.982 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.488 0.339 -9.427 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.932 -0.494 -9.661 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.263 -1.315 -8.810 1.00 0.00 H new ATOM 717 N PRO A 45 -6.080 -1.304 -3.695 1.00 0.00 N ATOM 718 CA PRO A 45 -5.258 -2.239 -2.929 1.00 0.00 C ATOM 719 C PRO A 45 -5.428 -3.672 -3.424 1.00 0.00 C ATOM 720 O PRO A 45 -6.531 -4.221 -3.385 1.00 0.00 O ATOM 721 CB PRO A 45 -5.788 -2.107 -1.491 1.00 0.00 C ATOM 722 CG PRO A 45 -6.701 -0.924 -1.500 1.00 0.00 C ATOM 723 CD PRO A 45 -7.209 -0.805 -2.904 1.00 0.00 C ATOM 0 HA PRO A 45 -4.195 -2.016 -3.019 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.319 -3.009 -1.186 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.970 -1.964 -0.785 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.523 -1.061 -0.798 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.171 -0.020 -1.199 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.109 -1.400 -3.061 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.459 0.225 -3.159 1.00 0.00 H new ATOM 731 N VAL A 46 -4.347 -4.269 -3.904 1.00 0.00 N ATOM 732 CA VAL A 46 -4.395 -5.641 -4.385 1.00 0.00 C ATOM 733 C VAL A 46 -4.396 -6.613 -3.210 1.00 0.00 C ATOM 734 O VAL A 46 -3.341 -7.004 -2.708 1.00 0.00 O ATOM 735 CB VAL A 46 -3.209 -5.961 -5.323 1.00 0.00 C ATOM 736 CG1 VAL A 46 -3.329 -7.370 -5.889 1.00 0.00 C ATOM 737 CG2 VAL A 46 -3.119 -4.940 -6.448 1.00 0.00 C ATOM 0 H VAL A 46 -3.430 -3.827 -3.971 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.317 -5.755 -4.955 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.292 -5.906 -4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.483 -7.571 -6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.334 -8.091 -5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.256 -7.457 -6.455 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.277 -5.185 -7.095 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.041 -4.957 -7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.974 -3.945 -6.026 1.00 0.00 H new ATOM 747 N LEU A 47 -5.587 -6.972 -2.751 1.00 0.00 N ATOM 748 CA LEU A 47 -5.726 -7.853 -1.606 1.00 0.00 C ATOM 749 C LEU A 47 -5.903 -9.294 -2.061 1.00 0.00 C ATOM 750 O LEU A 47 -7.025 -9.800 -2.155 1.00 0.00 O ATOM 751 CB LEU A 47 -6.908 -7.417 -0.734 1.00 0.00 C ATOM 752 CG LEU A 47 -6.782 -6.022 -0.121 1.00 0.00 C ATOM 753 CD1 LEU A 47 -8.021 -5.691 0.697 1.00 0.00 C ATOM 754 CD2 LEU A 47 -5.533 -5.932 0.744 1.00 0.00 C ATOM 0 H LEU A 47 -6.471 -6.665 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.816 -7.789 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.816 -7.452 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.032 -8.141 0.071 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.695 -5.295 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.917 -4.695 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.900 -5.718 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.135 -6.422 1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.459 -4.933 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.592 -6.667 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.652 -6.131 0.133 1.00 0.00 H new ATOM 766 N LEU A 48 -4.791 -9.939 -2.377 1.00 0.00 N ATOM 767 CA LEU A 48 -4.802 -11.324 -2.821 1.00 0.00 C ATOM 768 C LEU A 48 -3.806 -12.132 -2.000 1.00 0.00 C ATOM 769 O LEU A 48 -2.799 -11.593 -1.539 1.00 0.00 O ATOM 770 CB LEU A 48 -4.467 -11.409 -4.314 1.00 0.00 C ATOM 771 CG LEU A 48 -5.484 -10.753 -5.247 1.00 0.00 C ATOM 772 CD1 LEU A 48 -4.974 -10.765 -6.675 1.00 0.00 C ATOM 773 CD2 LEU A 48 -6.825 -11.463 -5.154 1.00 0.00 C ATOM 0 H LEU A 48 -3.862 -9.521 -2.334 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.799 -11.739 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.494 -10.945 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.370 -12.459 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.621 -9.717 -4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.709 -10.294 -7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.035 -10.215 -6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.811 -11.794 -6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.538 -10.983 -5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.704 -12.508 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.196 -11.408 -4.131 1.00 0.00 H new ATOM 785 N ILE A 49 -4.089 -13.412 -1.813 1.00 0.00 N ATOM 786 CA ILE A 49 -3.279 -14.266 -0.950 1.00 0.00 C ATOM 787 C ILE A 49 -1.942 -14.621 -1.600 1.00 0.00 C ATOM 788 O ILE A 49 -0.901 -14.625 -0.941 1.00 0.00 O ATOM 789 CB ILE A 49 -4.034 -15.564 -0.585 1.00 0.00 C ATOM 790 CG1 ILE A 49 -5.362 -15.226 0.101 1.00 0.00 C ATOM 791 CG2 ILE A 49 -3.179 -16.453 0.313 1.00 0.00 C ATOM 792 CD1 ILE A 49 -6.213 -16.437 0.421 1.00 0.00 C ATOM 0 H ILE A 49 -4.879 -13.887 -2.250 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.082 -13.698 -0.041 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.243 -16.113 -1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.155 -14.685 1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.931 -14.554 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.730 -17.361 0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.258 -16.717 -0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.937 -15.917 1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.135 -16.116 0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.452 -16.967 -0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.665 -17.101 1.090 1.00 0.00 H new ATOM 804 N ASP A 50 -1.964 -14.906 -2.894 1.00 0.00 N ATOM 805 CA ASP A 50 -0.756 -15.332 -3.591 1.00 0.00 C ATOM 806 C ASP A 50 0.099 -14.130 -3.998 1.00 0.00 C ATOM 807 O ASP A 50 1.317 -14.240 -4.139 1.00 0.00 O ATOM 808 CB ASP A 50 -1.112 -16.182 -4.815 1.00 0.00 C ATOM 809 CG ASP A 50 0.107 -16.805 -5.464 1.00 0.00 C ATOM 810 OD1 ASP A 50 0.811 -17.588 -4.793 1.00 0.00 O ATOM 811 OD2 ASP A 50 0.372 -16.517 -6.652 1.00 0.00 O ATOM 0 H ASP A 50 -2.797 -14.851 -3.480 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.169 -15.943 -2.905 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.804 -16.970 -4.517 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.631 -15.562 -5.545 1.00 0.00 H new ATOM 816 N GLU A 51 -0.536 -12.979 -4.170 1.00 0.00 N ATOM 817 CA GLU A 51 0.184 -11.755 -4.514 1.00 0.00 C ATOM 818 C GLU A 51 0.855 -11.148 -3.283 1.00 0.00 C ATOM 819 O GLU A 51 1.727 -10.281 -3.401 1.00 0.00 O ATOM 820 CB GLU A 51 -0.758 -10.734 -5.158 1.00 0.00 C ATOM 821 CG GLU A 51 -0.989 -10.942 -6.652 1.00 0.00 C ATOM 822 CD GLU A 51 -1.413 -12.354 -6.995 1.00 0.00 C ATOM 823 OE1 GLU A 51 -2.449 -12.807 -6.477 1.00 0.00 O ATOM 824 OE2 GLU A 51 -0.715 -13.015 -7.790 1.00 0.00 O ATOM 0 H GLU A 51 -1.545 -12.864 -4.078 1.00 0.00 H new ATOM 0 HA GLU A 51 0.959 -12.018 -5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.719 -10.772 -4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.352 -9.735 -5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.754 -10.245 -6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.073 -10.702 -7.192 1.00 0.00 H new ATOM 831 N ALA A 52 0.442 -11.604 -2.105 1.00 0.00 N ATOM 832 CA ALA A 52 1.048 -11.157 -0.857 1.00 0.00 C ATOM 833 C ALA A 52 2.526 -11.515 -0.836 1.00 0.00 C ATOM 834 O ALA A 52 2.889 -12.692 -0.818 1.00 0.00 O ATOM 835 CB ALA A 52 0.333 -11.771 0.337 1.00 0.00 C ATOM 0 H ALA A 52 -0.310 -12.283 -1.989 1.00 0.00 H new ATOM 0 HA ALA A 52 0.949 -10.073 -0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.801 -11.425 1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.715 -11.471 0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.400 -12.858 0.282 1.00 0.00 H new ATOM 841 N THR A 53 3.372 -10.501 -0.853 1.00 0.00 N ATOM 842 CA THR A 53 4.802 -10.716 -0.937 1.00 0.00 C ATOM 843 C THR A 53 5.458 -10.465 0.413 1.00 0.00 C ATOM 844 O THR A 53 4.949 -9.689 1.225 1.00 0.00 O ATOM 845 CB THR A 53 5.428 -9.796 -2.003 1.00 0.00 C ATOM 846 OG1 THR A 53 4.642 -9.854 -3.203 1.00 0.00 O ATOM 847 CG2 THR A 53 6.856 -10.210 -2.322 1.00 0.00 C ATOM 0 H THR A 53 3.092 -9.521 -0.810 1.00 0.00 H new ATOM 0 HA THR A 53 4.973 -11.753 -1.226 1.00 0.00 H new ATOM 0 HB THR A 53 5.444 -8.780 -1.608 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.038 -9.268 -3.882 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.269 -9.541 -3.077 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.462 -10.154 -1.418 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.863 -11.232 -2.700 1.00 0.00 H new ATOM 855 N GLU A 54 6.573 -11.135 0.653 1.00 0.00 N ATOM 856 CA GLU A 54 7.312 -10.972 1.891 1.00 0.00 C ATOM 857 C GLU A 54 8.136 -9.694 1.836 1.00 0.00 C ATOM 858 O GLU A 54 8.928 -9.492 0.912 1.00 0.00 O ATOM 859 CB GLU A 54 8.221 -12.180 2.122 1.00 0.00 C ATOM 860 CG GLU A 54 7.469 -13.499 2.176 1.00 0.00 C ATOM 861 CD GLU A 54 8.388 -14.696 2.280 1.00 0.00 C ATOM 862 OE1 GLU A 54 8.891 -14.972 3.390 1.00 0.00 O ATOM 863 OE2 GLU A 54 8.609 -15.368 1.252 1.00 0.00 O ATOM 0 H GLU A 54 6.987 -11.801 0.001 1.00 0.00 H new ATOM 0 HA GLU A 54 6.608 -10.902 2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.962 -12.225 1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.766 -12.042 3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.793 -13.491 3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.853 -13.597 1.282 1.00 0.00 H new ATOM 870 N TRP A 55 7.945 -8.835 2.820 1.00 0.00 N ATOM 871 CA TRP A 55 8.638 -7.558 2.858 1.00 0.00 C ATOM 872 C TRP A 55 10.032 -7.738 3.461 1.00 0.00 C ATOM 873 O TRP A 55 10.506 -8.868 3.608 1.00 0.00 O ATOM 874 CB TRP A 55 7.802 -6.542 3.654 1.00 0.00 C ATOM 875 CG TRP A 55 8.143 -5.105 3.368 1.00 0.00 C ATOM 876 CD1 TRP A 55 8.292 -4.103 4.279 1.00 0.00 C ATOM 877 CD2 TRP A 55 8.387 -4.517 2.083 1.00 0.00 C ATOM 878 NE1 TRP A 55 8.605 -2.927 3.644 1.00 0.00 N ATOM 879 CE2 TRP A 55 8.671 -3.154 2.297 1.00 0.00 C ATOM 880 CE3 TRP A 55 8.390 -5.007 0.775 1.00 0.00 C ATOM 881 CZ2 TRP A 55 8.962 -2.282 1.250 1.00 0.00 C ATOM 882 CZ3 TRP A 55 8.677 -4.142 -0.260 1.00 0.00 C ATOM 883 CH2 TRP A 55 8.957 -2.792 -0.018 1.00 0.00 C ATOM 0 H TRP A 55 7.315 -8.998 3.605 1.00 0.00 H new ATOM 0 HA TRP A 55 8.763 -7.174 1.845 1.00 0.00 H new ATOM 0 HB2 TRP A 55 6.747 -6.704 3.434 1.00 0.00 H new ATOM 0 HB3 TRP A 55 7.938 -6.731 4.719 1.00 0.00 H new ATOM 0 HD1 TRP A 55 8.180 -4.217 5.347 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.763 -2.030 4.102 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.171 -6.046 0.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 9.183 -1.241 1.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 8.686 -4.512 -1.274 1.00 0.00 H new ATOM 0 HH2 TRP A 55 9.174 -2.140 -0.851 1.00 0.00 H new ATOM 894 N THR A 56 10.673 -6.619 3.773 1.00 0.00 N ATOM 895 CA THR A 56 12.023 -6.579 4.340 1.00 0.00 C ATOM 896 C THR A 56 12.287 -7.723 5.327 1.00 0.00 C ATOM 897 O THR A 56 11.493 -7.955 6.244 1.00 0.00 O ATOM 898 CB THR A 56 12.242 -5.237 5.059 1.00 0.00 C ATOM 899 OG1 THR A 56 11.826 -4.162 4.207 1.00 0.00 O ATOM 900 CG2 THR A 56 13.698 -5.043 5.452 1.00 0.00 C ATOM 0 H THR A 56 10.265 -5.694 3.638 1.00 0.00 H new ATOM 0 HA THR A 56 12.720 -6.693 3.509 1.00 0.00 H new ATOM 0 HB THR A 56 11.646 -5.243 5.971 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.964 -3.308 4.667 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.814 -4.084 5.957 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.004 -5.846 6.123 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.321 -5.060 4.558 1.00 0.00 H new ATOM 908 N PRO A 57 13.400 -8.460 5.128 1.00 0.00 N ATOM 909 CA PRO A 57 13.797 -9.573 6.003 1.00 0.00 C ATOM 910 C PRO A 57 13.884 -9.162 7.471 1.00 0.00 C ATOM 911 O PRO A 57 14.136 -7.997 7.789 1.00 0.00 O ATOM 912 CB PRO A 57 15.182 -9.966 5.480 1.00 0.00 C ATOM 913 CG PRO A 57 15.192 -9.516 4.063 1.00 0.00 C ATOM 914 CD PRO A 57 14.356 -8.268 4.023 1.00 0.00 C ATOM 0 HA PRO A 57 13.069 -10.384 5.977 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.973 -9.484 6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.343 -11.041 5.555 1.00 0.00 H new ATOM 0 HG2 PRO A 57 16.208 -9.317 3.723 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.781 -10.283 3.406 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.962 -7.374 4.167 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.846 -8.157 3.066 1.00 0.00 H new ATOM 922 N ASN A 58 13.689 -10.126 8.362 1.00 0.00 N ATOM 923 CA ASN A 58 13.637 -9.841 9.792 1.00 0.00 C ATOM 924 C ASN A 58 15.043 -9.803 10.399 1.00 0.00 C ATOM 925 O ASN A 58 15.401 -10.661 11.211 1.00 0.00 O ATOM 926 CB ASN A 58 12.761 -10.874 10.510 1.00 0.00 C ATOM 927 CG ASN A 58 12.368 -10.437 11.916 1.00 0.00 C ATOM 928 OD1 ASN A 58 11.395 -9.706 12.099 1.00 0.00 O ATOM 929 ND2 ASN A 58 13.101 -10.901 12.916 1.00 0.00 N ATOM 0 H ASN A 58 13.564 -11.109 8.122 1.00 0.00 H new ATOM 0 HA ASN A 58 13.191 -8.856 9.927 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.859 -11.050 9.923 1.00 0.00 H new ATOM 0 HB3 ASN A 58 13.296 -11.822 10.565 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.866 -10.655 13.878 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.901 -11.505 12.725 1.00 0.00 H new ATOM 936 N ASN A 59 15.819 -8.802 9.958 1.00 0.00 N ATOM 937 CA ASN A 59 17.179 -8.487 10.450 1.00 0.00 C ATOM 938 C ASN A 59 18.151 -9.676 10.474 1.00 0.00 C ATOM 939 O ASN A 59 17.766 -10.840 10.333 1.00 0.00 O ATOM 940 CB ASN A 59 17.160 -7.764 11.817 1.00 0.00 C ATOM 941 CG ASN A 59 16.404 -8.491 12.918 1.00 0.00 C ATOM 942 OD1 ASN A 59 16.958 -9.333 13.625 1.00 0.00 O ATOM 943 ND2 ASN A 59 15.136 -8.145 13.091 1.00 0.00 N ATOM 0 H ASN A 59 15.511 -8.164 9.224 1.00 0.00 H new ATOM 0 HA ASN A 59 17.573 -7.801 9.701 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.188 -7.610 12.144 1.00 0.00 H new ATOM 0 HB3 ASN A 59 16.717 -6.777 11.683 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.585 -8.581 13.830 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.712 -7.443 12.485 1.00 0.00 H new ATOM 950 N LEU A 60 19.437 -9.336 10.625 1.00 0.00 N ATOM 951 CA LEU A 60 20.529 -10.302 10.633 1.00 0.00 C ATOM 952 C LEU A 60 20.424 -11.234 9.431 1.00 0.00 C ATOM 953 O LEU A 60 20.529 -12.462 9.551 1.00 0.00 O ATOM 954 CB LEU A 60 20.534 -11.090 11.947 1.00 0.00 C ATOM 955 CG LEU A 60 21.815 -11.871 12.215 1.00 0.00 C ATOM 956 CD1 LEU A 60 23.001 -10.930 12.334 1.00 0.00 C ATOM 957 CD2 LEU A 60 21.675 -12.721 13.466 1.00 0.00 C ATOM 0 H LEU A 60 19.746 -8.371 10.746 1.00 0.00 H new ATOM 0 HA LEU A 60 21.474 -9.765 10.559 1.00 0.00 H new ATOM 0 HB2 LEU A 60 20.368 -10.397 12.772 1.00 0.00 H new ATOM 0 HB3 LEU A 60 19.695 -11.785 11.941 1.00 0.00 H new ATOM 0 HG LEU A 60 21.991 -12.537 11.370 1.00 0.00 H new ATOM 0 HD11 LEU A 60 23.906 -11.507 12.525 1.00 0.00 H new ATOM 0 HD12 LEU A 60 23.117 -10.371 11.405 1.00 0.00 H new ATOM 0 HD13 LEU A 60 22.833 -10.235 13.157 1.00 0.00 H new ATOM 0 HD21 LEU A 60 22.601 -13.270 13.638 1.00 0.00 H new ATOM 0 HD22 LEU A 60 21.470 -12.078 14.322 1.00 0.00 H new ATOM 0 HD23 LEU A 60 20.854 -13.426 13.337 1.00 0.00 H new ATOM 969 N GLU A 61 20.227 -10.639 8.264 1.00 0.00 N ATOM 970 CA GLU A 61 19.973 -11.400 7.060 1.00 0.00 C ATOM 971 C GLU A 61 21.238 -11.571 6.218 1.00 0.00 C ATOM 972 O GLU A 61 21.507 -10.809 5.283 1.00 0.00 O ATOM 973 CB GLU A 61 18.828 -10.775 6.236 1.00 0.00 C ATOM 974 CG GLU A 61 19.037 -9.320 5.803 1.00 0.00 C ATOM 975 CD GLU A 61 19.054 -8.334 6.958 1.00 0.00 C ATOM 976 OE1 GLU A 61 17.973 -7.924 7.420 1.00 0.00 O ATOM 977 OE2 GLU A 61 20.161 -7.957 7.401 1.00 0.00 O ATOM 0 H GLU A 61 20.239 -9.628 8.130 1.00 0.00 H new ATOM 0 HA GLU A 61 19.656 -12.397 7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 61 18.674 -11.382 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 61 17.911 -10.832 6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 61 19.978 -9.244 5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 61 18.244 -9.039 5.109 1.00 0.00 H new TER 984 GLU A 61