USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 390 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 39 THR OG1 : rot 160:sc= 0.0979 USER MOD Set 1.2: A 48 ASN : amide:sc= -4.68! K(o=-4.6!,f=-1.4) 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 180:sc=-0.000356 USER MOD Single : A 12 GLN : amide:sc= -0.0406 K(o=-0.041,f=-1.7!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= 1.34 (180deg=1.32) USER MOD Single : A 26 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.5) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 38 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.36) USER MOD Single : A 41 CYS SG : rot 46:sc= 0.218 USER MOD Single : A 45 THR OG1 : rot 121:sc= -0.847 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.872 12.408 6.971 1.00 0.00 N ATOM 2 CA GLY A 1 4.999 13.423 6.409 1.00 0.00 C ATOM 3 C GLY A 1 5.220 13.563 4.901 1.00 0.00 C ATOM 4 O GLY A 1 6.332 13.842 4.457 1.00 0.00 O ATOM 0 H1 GLY A 1 5.703 12.332 7.994 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.676 11.492 6.519 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.864 12.671 6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.959 13.162 6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.185 14.379 6.898 1.00 0.00 H new ATOM 8 N SER A 2 4.143 13.361 4.156 1.00 0.00 N ATOM 9 CA SER A 2 4.205 13.461 2.707 1.00 0.00 C ATOM 10 C SER A 2 2.793 13.557 2.128 1.00 0.00 C ATOM 11 O SER A 2 2.084 12.556 2.043 1.00 0.00 O ATOM 12 CB SER A 2 4.947 12.266 2.105 1.00 0.00 C ATOM 13 OG SER A 2 6.049 12.673 1.298 1.00 0.00 O ATOM 0 H SER A 2 3.222 13.129 4.528 1.00 0.00 H new ATOM 0 HA SER A 2 4.757 14.365 2.449 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.304 11.620 2.907 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.256 11.676 1.504 1.00 0.00 H new ATOM 0 HG SER A 2 6.498 11.882 0.934 1.00 0.00 H new ATOM 18 N SER A 3 2.426 14.771 1.744 1.00 0.00 N ATOM 19 CA SER A 3 1.110 15.011 1.175 1.00 0.00 C ATOM 20 C SER A 3 1.175 14.914 -0.350 1.00 0.00 C ATOM 21 O SER A 3 2.217 15.176 -0.949 1.00 0.00 O ATOM 22 CB SER A 3 0.569 16.377 1.598 1.00 0.00 C ATOM 23 OG SER A 3 1.461 17.434 1.257 1.00 0.00 O ATOM 0 H SER A 3 3.017 15.599 1.816 1.00 0.00 H new ATOM 0 HA SER A 3 0.429 14.248 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.396 16.549 1.120 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.397 16.381 2.674 1.00 0.00 H new ATOM 0 HG SER A 3 1.078 18.290 1.542 1.00 0.00 H new ATOM 28 N GLY A 4 0.048 14.537 -0.935 1.00 0.00 N ATOM 29 CA GLY A 4 -0.036 14.402 -2.380 1.00 0.00 C ATOM 30 C GLY A 4 -1.428 14.788 -2.885 1.00 0.00 C ATOM 31 O GLY A 4 -2.426 14.563 -2.202 1.00 0.00 O ATOM 0 H GLY A 4 -0.815 14.321 -0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.715 15.035 -2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.187 13.374 -2.667 1.00 0.00 H new ATOM 35 N SER A 5 -1.450 15.362 -4.079 1.00 0.00 N ATOM 36 CA SER A 5 -2.703 15.781 -4.685 1.00 0.00 C ATOM 37 C SER A 5 -3.412 16.788 -3.777 1.00 0.00 C ATOM 38 O SER A 5 -4.342 16.430 -3.056 1.00 0.00 O ATOM 39 CB SER A 5 -3.612 14.581 -4.959 1.00 0.00 C ATOM 40 OG SER A 5 -3.943 14.467 -6.340 1.00 0.00 O ATOM 0 H SER A 5 -0.621 15.547 -4.643 1.00 0.00 H new ATOM 0 HA SER A 5 -2.479 16.257 -5.640 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.117 13.668 -4.628 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.526 14.678 -4.374 1.00 0.00 H new ATOM 0 HG SER A 5 -4.523 13.688 -6.474 1.00 0.00 H new ATOM 45 N SER A 6 -2.945 18.026 -3.841 1.00 0.00 N ATOM 46 CA SER A 6 -3.522 19.086 -3.034 1.00 0.00 C ATOM 47 C SER A 6 -3.833 18.565 -1.629 1.00 0.00 C ATOM 48 O SER A 6 -4.961 18.162 -1.347 1.00 0.00 O ATOM 49 CB SER A 6 -4.790 19.646 -3.683 1.00 0.00 C ATOM 50 OG SER A 6 -4.590 20.958 -4.201 1.00 0.00 O ATOM 0 H SER A 6 -2.173 18.318 -4.440 1.00 0.00 H new ATOM 0 HA SER A 6 -2.794 19.894 -2.963 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.108 18.983 -4.488 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.595 19.665 -2.948 1.00 0.00 H new ATOM 0 HG SER A 6 -5.422 21.279 -4.608 1.00 0.00 H new ATOM 55 N GLY A 7 -2.812 18.588 -0.784 1.00 0.00 N ATOM 56 CA GLY A 7 -2.961 18.122 0.583 1.00 0.00 C ATOM 57 C GLY A 7 -3.852 16.879 0.646 1.00 0.00 C ATOM 58 O GLY A 7 -5.072 16.990 0.748 1.00 0.00 O ATOM 0 H GLY A 7 -1.878 18.923 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.981 17.893 1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.392 18.914 1.196 1.00 0.00 H new ATOM 62 N SER A 8 -3.205 15.724 0.580 1.00 0.00 N ATOM 63 CA SER A 8 -3.923 14.461 0.627 1.00 0.00 C ATOM 64 C SER A 8 -2.950 13.318 0.922 1.00 0.00 C ATOM 65 O SER A 8 -1.776 13.388 0.561 1.00 0.00 O ATOM 66 CB SER A 8 -4.666 14.201 -0.684 1.00 0.00 C ATOM 67 OG SER A 8 -6.049 13.927 -0.469 1.00 0.00 O ATOM 0 H SER A 8 -2.192 15.636 0.494 1.00 0.00 H new ATOM 0 HA SER A 8 -4.662 14.516 1.426 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.565 15.069 -1.336 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.206 13.359 -1.201 1.00 0.00 H new ATOM 0 HG SER A 8 -6.489 13.768 -1.330 1.00 0.00 H new ATOM 72 N PRO A 9 -3.488 12.264 1.592 1.00 0.00 N ATOM 73 CA PRO A 9 -2.681 11.107 1.939 1.00 0.00 C ATOM 74 C PRO A 9 -2.416 10.234 0.711 1.00 0.00 C ATOM 75 O PRO A 9 -3.146 9.277 0.455 1.00 0.00 O ATOM 76 CB PRO A 9 -3.470 10.386 3.020 1.00 0.00 C ATOM 77 CG PRO A 9 -4.895 10.903 2.910 1.00 0.00 C ATOM 78 CD PRO A 9 -4.874 12.146 2.036 1.00 0.00 C ATOM 0 HA PRO A 9 -1.690 11.380 2.302 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.434 9.306 2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.056 10.589 4.007 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.544 10.143 2.476 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.293 11.137 3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.554 12.046 1.190 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.187 13.028 2.594 1.00 0.00 H new ATOM 83 N ASP A 10 -1.370 10.596 -0.019 1.00 0.00 N ATOM 84 CA ASP A 10 -1.000 9.858 -1.214 1.00 0.00 C ATOM 85 C ASP A 10 0.424 10.238 -1.623 1.00 0.00 C ATOM 86 O ASP A 10 0.753 11.419 -1.714 1.00 0.00 O ATOM 87 CB ASP A 10 -1.932 10.195 -2.379 1.00 0.00 C ATOM 88 CG ASP A 10 -2.844 9.053 -2.830 1.00 0.00 C ATOM 89 OD1 ASP A 10 -3.765 8.721 -2.052 1.00 0.00 O ATOM 90 OD2 ASP A 10 -2.602 8.537 -3.941 1.00 0.00 O ATOM 0 H ASP A 10 -0.768 11.391 0.195 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.073 8.794 -0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.553 11.044 -2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.327 10.513 -3.228 1.00 0.00 H new ATOM 94 N VAL A 11 1.232 9.214 -1.856 1.00 0.00 N ATOM 95 CA VAL A 11 2.614 9.425 -2.252 1.00 0.00 C ATOM 96 C VAL A 11 2.893 8.658 -3.546 1.00 0.00 C ATOM 97 O VAL A 11 2.275 8.925 -4.576 1.00 0.00 O ATOM 98 CB VAL A 11 3.553 9.033 -1.110 1.00 0.00 C ATOM 99 CG1 VAL A 11 5.004 9.375 -1.450 1.00 0.00 C ATOM 100 CG2 VAL A 11 3.126 9.695 0.202 1.00 0.00 C ATOM 0 H VAL A 11 0.956 8.235 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 11 2.795 10.481 -2.455 1.00 0.00 H new ATOM 0 HB VAL A 11 3.487 7.953 -0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.650 9.086 -0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.304 8.836 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.094 10.447 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.810 9.400 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.149 10.779 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.115 9.378 0.457 1.00 0.00 H new ATOM 110 N GLN A 12 3.822 7.718 -3.450 1.00 0.00 N ATOM 111 CA GLN A 12 4.190 6.909 -4.600 1.00 0.00 C ATOM 112 C GLN A 12 3.919 5.431 -4.316 1.00 0.00 C ATOM 113 O GLN A 12 3.959 4.997 -3.166 1.00 0.00 O ATOM 114 CB GLN A 12 5.654 7.135 -4.983 1.00 0.00 C ATOM 115 CG GLN A 12 5.873 8.560 -5.493 1.00 0.00 C ATOM 116 CD GLN A 12 5.453 8.689 -6.959 1.00 0.00 C ATOM 117 OE1 GLN A 12 5.148 7.718 -7.631 1.00 0.00 O ATOM 118 NE2 GLN A 12 5.457 9.939 -7.415 1.00 0.00 N ATOM 0 H GLN A 12 4.331 7.498 -2.594 1.00 0.00 H new ATOM 0 HA GLN A 12 3.576 7.215 -5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.292 6.952 -4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.947 6.420 -5.752 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.301 9.260 -4.884 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.924 8.831 -5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.723 10.706 -6.798 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.194 10.130 -8.382 1.00 0.00 H new ATOM 125 N LEU A 13 3.649 4.696 -5.385 1.00 0.00 N ATOM 126 CA LEU A 13 3.372 3.274 -5.266 1.00 0.00 C ATOM 127 C LEU A 13 4.348 2.650 -4.267 1.00 0.00 C ATOM 128 O LEU A 13 3.933 2.119 -3.237 1.00 0.00 O ATOM 129 CB LEU A 13 3.392 2.608 -6.643 1.00 0.00 C ATOM 130 CG LEU A 13 2.133 1.827 -7.029 1.00 0.00 C ATOM 131 CD1 LEU A 13 1.746 2.096 -8.484 1.00 0.00 C ATOM 132 CD2 LEU A 13 2.307 0.333 -6.748 1.00 0.00 C ATOM 0 H LEU A 13 3.616 5.058 -6.338 1.00 0.00 H new ATOM 0 HA LEU A 13 2.368 3.113 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.562 3.379 -7.395 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.244 1.929 -6.684 1.00 0.00 H new ATOM 0 HG LEU A 13 1.309 2.177 -6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.849 1.529 -8.733 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.552 3.160 -8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.561 1.791 -9.140 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.399 -0.199 -7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.147 -0.051 -7.327 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.499 0.183 -5.686 1.00 0.00 H new ATOM 143 N ALA A 14 5.626 2.737 -4.605 1.00 0.00 N ATOM 144 CA ALA A 14 6.664 2.188 -3.749 1.00 0.00 C ATOM 145 C ALA A 14 6.346 2.518 -2.290 1.00 0.00 C ATOM 146 O ALA A 14 6.169 1.618 -1.470 1.00 0.00 O ATOM 147 CB ALA A 14 8.026 2.731 -4.186 1.00 0.00 C ATOM 0 H ALA A 14 5.966 3.179 -5.459 1.00 0.00 H new ATOM 0 HA ALA A 14 6.701 1.102 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.805 2.319 -3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.218 2.443 -5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.027 3.818 -4.106 1.00 0.00 H new ATOM 153 N THR A 15 6.281 3.812 -2.010 1.00 0.00 N ATOM 154 CA THR A 15 5.986 4.273 -0.664 1.00 0.00 C ATOM 155 C THR A 15 4.772 3.532 -0.101 1.00 0.00 C ATOM 156 O THR A 15 4.798 3.063 1.036 1.00 0.00 O ATOM 157 CB THR A 15 5.803 5.790 -0.714 1.00 0.00 C ATOM 158 OG1 THR A 15 7.117 6.291 -0.941 1.00 0.00 O ATOM 159 CG2 THR A 15 5.409 6.378 0.643 1.00 0.00 C ATOM 0 H THR A 15 6.428 4.555 -2.693 1.00 0.00 H new ATOM 0 HA THR A 15 6.807 4.053 0.019 1.00 0.00 H new ATOM 0 HB THR A 15 5.041 6.039 -1.452 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.090 7.269 -0.989 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.292 7.458 0.551 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.467 5.937 0.971 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.187 6.158 1.374 1.00 0.00 H new ATOM 167 N LEU A 16 3.736 3.450 -0.923 1.00 0.00 N ATOM 168 CA LEU A 16 2.513 2.773 -0.521 1.00 0.00 C ATOM 169 C LEU A 16 2.809 1.291 -0.286 1.00 0.00 C ATOM 170 O LEU A 16 2.724 0.808 0.841 1.00 0.00 O ATOM 171 CB LEU A 16 1.402 3.025 -1.541 1.00 0.00 C ATOM 172 CG LEU A 16 0.889 4.464 -1.635 1.00 0.00 C ATOM 173 CD1 LEU A 16 -0.172 4.598 -2.728 1.00 0.00 C ATOM 174 CD2 LEU A 16 0.381 4.954 -0.278 1.00 0.00 C ATOM 0 H LEU A 16 3.718 3.841 -1.865 1.00 0.00 H new ATOM 0 HA LEU A 16 2.145 3.177 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.764 2.725 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.560 2.376 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 16 1.723 5.107 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.519 5.630 -2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.258 4.317 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.013 3.942 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.022 5.979 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.434 4.314 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.193 4.919 0.449 1.00 0.00 H new ATOM 185 N ALA A 17 3.150 0.610 -1.370 1.00 0.00 N ATOM 186 CA ALA A 17 3.460 -0.808 -1.297 1.00 0.00 C ATOM 187 C ALA A 17 4.262 -1.085 -0.024 1.00 0.00 C ATOM 188 O ALA A 17 4.049 -2.098 0.640 1.00 0.00 O ATOM 189 CB ALA A 17 4.206 -1.234 -2.562 1.00 0.00 C ATOM 0 H ALA A 17 3.219 1.014 -2.304 1.00 0.00 H new ATOM 0 HA ALA A 17 2.545 -1.399 -1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.438 -2.298 -2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.581 -1.044 -3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.131 -0.665 -2.648 1.00 0.00 H new ATOM 195 N GLN A 18 5.171 -0.169 0.276 1.00 0.00 N ATOM 196 CA GLN A 18 6.007 -0.301 1.457 1.00 0.00 C ATOM 197 C GLN A 18 5.142 -0.333 2.719 1.00 0.00 C ATOM 198 O GLN A 18 5.295 -1.219 3.558 1.00 0.00 O ATOM 199 CB GLN A 18 7.039 0.826 1.528 1.00 0.00 C ATOM 200 CG GLN A 18 8.198 0.569 0.563 1.00 0.00 C ATOM 201 CD GLN A 18 9.001 1.848 0.318 1.00 0.00 C ATOM 202 OE1 GLN A 18 8.947 2.801 1.077 1.00 0.00 O ATOM 203 NE2 GLN A 18 9.749 1.815 -0.782 1.00 0.00 N ATOM 0 H GLN A 18 5.347 0.668 -0.279 1.00 0.00 H new ATOM 0 HA GLN A 18 6.551 -1.243 1.389 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.563 1.776 1.285 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.420 0.911 2.546 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.851 -0.202 0.971 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.811 0.191 -0.383 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.748 0.985 -1.374 1.00 0.00 H new ATOM 0 HE22 GLN A 18 10.323 2.620 -1.033 1.00 0.00 H new ATOM 210 N ARG A 19 4.253 0.645 2.812 1.00 0.00 N ATOM 211 CA ARG A 19 3.363 0.741 3.957 1.00 0.00 C ATOM 212 C ARG A 19 2.390 -0.439 3.974 1.00 0.00 C ATOM 213 O ARG A 19 2.467 -1.301 4.847 1.00 0.00 O ATOM 214 CB ARG A 19 2.569 2.048 3.931 1.00 0.00 C ATOM 215 CG ARG A 19 3.388 3.199 4.519 1.00 0.00 C ATOM 216 CD ARG A 19 2.505 4.420 4.786 1.00 0.00 C ATOM 217 NE ARG A 19 3.338 5.642 4.853 1.00 0.00 N ATOM 218 CZ ARG A 19 4.088 5.982 5.910 1.00 0.00 C ATOM 219 NH1 ARG A 19 4.115 5.195 6.994 1.00 0.00 N ATOM 220 NH2 ARG A 19 4.811 7.110 5.883 1.00 0.00 N ATOM 0 H ARG A 19 4.130 1.378 2.113 1.00 0.00 H new ATOM 0 HA ARG A 19 3.978 0.722 4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.286 2.285 2.906 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.645 1.928 4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.860 2.877 5.447 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.189 3.469 3.831 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.760 4.520 3.996 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.962 4.289 5.722 1.00 0.00 H new ATOM 0 HE ARG A 19 3.341 6.264 4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.564 4.337 7.015 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.686 5.454 7.798 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.790 7.709 5.058 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.382 7.369 6.687 1.00 0.00 H new ATOM 231 N VAL A 20 1.495 -0.441 2.996 1.00 0.00 N ATOM 232 CA VAL A 20 0.508 -1.500 2.887 1.00 0.00 C ATOM 233 C VAL A 20 1.166 -2.841 3.217 1.00 0.00 C ATOM 234 O VAL A 20 0.559 -3.692 3.865 1.00 0.00 O ATOM 235 CB VAL A 20 -0.135 -1.476 1.499 1.00 0.00 C ATOM 236 CG1 VAL A 20 -1.376 -0.580 1.485 1.00 0.00 C ATOM 237 CG2 VAL A 20 0.872 -1.033 0.436 1.00 0.00 C ATOM 0 H VAL A 20 1.434 0.275 2.272 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.297 -1.347 3.606 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.451 -2.491 1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.814 -0.581 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.106 -0.958 2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.094 0.437 1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.389 -1.025 -0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.233 -0.032 0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.713 -1.727 0.420 1.00 0.00 H new ATOM 247 N LYS A 21 2.399 -2.988 2.756 1.00 0.00 N ATOM 248 CA LYS A 21 3.147 -4.210 2.994 1.00 0.00 C ATOM 249 C LYS A 21 3.473 -4.323 4.484 1.00 0.00 C ATOM 250 O LYS A 21 3.181 -5.340 5.112 1.00 0.00 O ATOM 251 CB LYS A 21 4.380 -4.269 2.090 1.00 0.00 C ATOM 252 CG LYS A 21 5.210 -5.522 2.375 1.00 0.00 C ATOM 253 CD LYS A 21 4.730 -6.703 1.528 1.00 0.00 C ATOM 254 CE LYS A 21 5.914 -7.521 1.008 1.00 0.00 C ATOM 255 NZ LYS A 21 5.567 -8.959 0.954 1.00 0.00 N ATOM 0 H LYS A 21 2.899 -2.280 2.218 1.00 0.00 H new ATOM 0 HA LYS A 21 2.545 -5.080 2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.070 -4.264 1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.992 -3.380 2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.261 -5.322 2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.140 -5.776 3.433 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.076 -7.340 2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.139 -6.337 0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.197 -7.172 0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.778 -7.373 1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.387 -9.502 0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.303 -9.288 1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.767 -9.099 0.304 1.00 0.00 H new ATOM 265 N GLU A 22 4.071 -3.263 5.009 1.00 0.00 N ATOM 266 CA GLU A 22 4.438 -3.230 6.413 1.00 0.00 C ATOM 267 C GLU A 22 3.309 -3.804 7.271 1.00 0.00 C ATOM 268 O GLU A 22 3.554 -4.609 8.169 1.00 0.00 O ATOM 269 CB GLU A 22 4.793 -1.809 6.854 1.00 0.00 C ATOM 270 CG GLU A 22 5.833 -1.825 7.976 1.00 0.00 C ATOM 271 CD GLU A 22 5.165 -2.012 9.340 1.00 0.00 C ATOM 272 OE1 GLU A 22 4.888 -3.182 9.681 1.00 0.00 O ATOM 273 OE2 GLU A 22 4.947 -0.980 10.011 1.00 0.00 O ATOM 0 H GLU A 22 4.310 -2.421 4.486 1.00 0.00 H new ATOM 0 HA GLU A 22 5.324 -3.850 6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.179 -1.247 6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.894 -1.295 7.194 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.547 -2.630 7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.396 -0.892 7.968 1.00 0.00 H new ATOM 278 N VAL A 23 2.095 -3.367 6.966 1.00 0.00 N ATOM 279 CA VAL A 23 0.928 -3.828 7.697 1.00 0.00 C ATOM 280 C VAL A 23 0.674 -5.300 7.370 1.00 0.00 C ATOM 281 O VAL A 23 0.480 -6.116 8.270 1.00 0.00 O ATOM 282 CB VAL A 23 -0.272 -2.930 7.387 1.00 0.00 C ATOM 283 CG1 VAL A 23 -1.565 -3.535 7.936 1.00 0.00 C ATOM 284 CG2 VAL A 23 -0.054 -1.516 7.929 1.00 0.00 C ATOM 0 H VAL A 23 1.895 -2.698 6.222 1.00 0.00 H new ATOM 0 HA VAL A 23 1.099 -3.760 8.771 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.368 -2.861 6.303 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.402 -2.877 7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.732 -4.511 7.481 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.483 -3.648 9.017 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.921 -0.899 7.695 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.081 -1.557 9.010 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.834 -1.083 7.469 1.00 0.00 H new ATOM 294 N LEU A 24 0.683 -5.596 6.079 1.00 0.00 N ATOM 295 CA LEU A 24 0.456 -6.955 5.621 1.00 0.00 C ATOM 296 C LEU A 24 1.638 -7.404 4.759 1.00 0.00 C ATOM 297 O LEU A 24 1.639 -7.200 3.546 1.00 0.00 O ATOM 298 CB LEU A 24 -0.896 -7.064 4.913 1.00 0.00 C ATOM 299 CG LEU A 24 -2.132 -6.954 5.809 1.00 0.00 C ATOM 300 CD1 LEU A 24 -3.316 -6.367 5.037 1.00 0.00 C ATOM 301 CD2 LEU A 24 -2.472 -8.303 6.444 1.00 0.00 C ATOM 0 H LEU A 24 0.844 -4.917 5.335 1.00 0.00 H new ATOM 0 HA LEU A 24 0.402 -7.637 6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.951 -6.283 4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.934 -8.020 4.390 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.905 -6.266 6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.182 -6.299 5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.057 -5.372 4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.554 -7.011 4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.354 -8.196 7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.673 -9.034 5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.631 -8.642 7.049 1.00 0.00 H new ATOM 312 N PRO A 25 2.643 -8.021 5.437 1.00 0.00 N ATOM 313 CA PRO A 25 3.829 -8.499 4.747 1.00 0.00 C ATOM 314 C PRO A 25 3.528 -9.776 3.960 1.00 0.00 C ATOM 315 O PRO A 25 4.248 -10.118 3.024 1.00 0.00 O ATOM 316 CB PRO A 25 4.864 -8.704 5.839 1.00 0.00 C ATOM 317 CG PRO A 25 4.087 -8.780 7.143 1.00 0.00 C ATOM 318 CD PRO A 25 2.676 -8.278 6.874 1.00 0.00 C ATOM 0 HA PRO A 25 4.193 -7.794 4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.434 -9.618 5.670 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.579 -7.882 5.858 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.064 -9.804 7.514 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.568 -8.174 7.910 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.930 -9.019 7.161 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.462 -7.373 7.443 1.00 0.00 H new ATOM 323 N HIS A 26 2.462 -10.448 4.371 1.00 0.00 N ATOM 324 CA HIS A 26 2.057 -11.681 3.717 1.00 0.00 C ATOM 325 C HIS A 26 1.704 -11.395 2.255 1.00 0.00 C ATOM 326 O HIS A 26 2.295 -11.976 1.346 1.00 0.00 O ATOM 327 CB HIS A 26 0.914 -12.351 4.482 1.00 0.00 C ATOM 328 CG HIS A 26 1.030 -12.236 5.983 1.00 0.00 C ATOM 329 ND1 HIS A 26 0.350 -11.278 6.716 1.00 0.00 N ATOM 330 CD2 HIS A 26 1.749 -12.968 6.881 1.00 0.00 C ATOM 331 CE1 HIS A 26 0.656 -11.435 7.995 1.00 0.00 C ATOM 332 NE2 HIS A 26 1.524 -12.482 8.095 1.00 0.00 N ATOM 0 H HIS A 26 1.867 -10.162 5.148 1.00 0.00 H new ATOM 0 HA HIS A 26 2.886 -12.389 3.723 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -0.030 -11.908 4.166 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.878 -13.406 4.210 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.393 -13.802 6.644 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.284 -10.839 8.815 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.933 -12.834 8.961 1.00 0.00 H new ATOM 339 N VAL A 27 0.745 -10.499 2.076 1.00 0.00 N ATOM 340 CA VAL A 27 0.307 -10.129 0.741 1.00 0.00 C ATOM 341 C VAL A 27 1.531 -9.843 -0.131 1.00 0.00 C ATOM 342 O VAL A 27 2.508 -9.261 0.336 1.00 0.00 O ATOM 343 CB VAL A 27 -0.662 -8.948 0.817 1.00 0.00 C ATOM 344 CG1 VAL A 27 -0.006 -7.743 1.493 1.00 0.00 C ATOM 345 CG2 VAL A 27 -1.186 -8.579 -0.573 1.00 0.00 C ATOM 0 H VAL A 27 0.259 -10.018 2.833 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.239 -10.950 0.276 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.513 -9.252 1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.717 -6.917 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.295 -8.013 2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.871 -7.439 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.873 -7.737 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.350 -8.304 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.709 -9.433 -1.003 1.00 0.00 H new ATOM 355 N PRO A 28 1.435 -10.277 -1.417 1.00 0.00 N ATOM 356 CA PRO A 28 2.522 -10.073 -2.359 1.00 0.00 C ATOM 357 C PRO A 28 2.584 -8.615 -2.818 1.00 0.00 C ATOM 358 O PRO A 28 1.622 -7.866 -2.649 1.00 0.00 O ATOM 359 CB PRO A 28 2.244 -11.043 -3.496 1.00 0.00 C ATOM 360 CG PRO A 28 0.777 -11.418 -3.374 1.00 0.00 C ATOM 361 CD PRO A 28 0.293 -10.969 -2.005 1.00 0.00 C ATOM 0 HA PRO A 28 3.501 -10.265 -1.920 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.450 -10.582 -4.462 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.880 -11.925 -3.421 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.194 -10.939 -4.161 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.647 -12.494 -3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.571 -10.309 -2.087 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.012 -11.819 -1.395 1.00 0.00 H new ATOM 366 N LEU A 29 3.723 -8.256 -3.391 1.00 0.00 N ATOM 367 CA LEU A 29 3.923 -6.901 -3.876 1.00 0.00 C ATOM 368 C LEU A 29 3.227 -6.741 -5.229 1.00 0.00 C ATOM 369 O LEU A 29 2.607 -5.713 -5.495 1.00 0.00 O ATOM 370 CB LEU A 29 5.413 -6.556 -3.906 1.00 0.00 C ATOM 371 CG LEU A 29 6.101 -6.434 -2.545 1.00 0.00 C ATOM 372 CD1 LEU A 29 7.622 -6.407 -2.700 1.00 0.00 C ATOM 373 CD2 LEU A 29 5.581 -5.217 -1.776 1.00 0.00 C ATOM 0 H LEU A 29 4.517 -8.880 -3.530 1.00 0.00 H new ATOM 0 HA LEU A 29 3.468 -6.182 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.931 -7.320 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.537 -5.613 -4.439 1.00 0.00 H new ATOM 0 HG LEU A 29 5.854 -7.317 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.086 -6.320 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.955 -7.328 -3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.910 -5.554 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.086 -5.153 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.779 -4.312 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.507 -5.318 -1.617 1.00 0.00 H new ATOM 384 N GLY A 30 3.354 -7.774 -6.049 1.00 0.00 N ATOM 385 CA GLY A 30 2.746 -7.760 -7.368 1.00 0.00 C ATOM 386 C GLY A 30 1.269 -7.369 -7.288 1.00 0.00 C ATOM 387 O GLY A 30 0.791 -6.565 -8.087 1.00 0.00 O ATOM 0 H GLY A 30 3.869 -8.626 -5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.277 -7.057 -8.010 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.841 -8.744 -7.826 1.00 0.00 H new ATOM 391 N VAL A 31 0.586 -7.956 -6.315 1.00 0.00 N ATOM 392 CA VAL A 31 -0.827 -7.679 -6.119 1.00 0.00 C ATOM 393 C VAL A 31 -0.986 -6.303 -5.470 1.00 0.00 C ATOM 394 O VAL A 31 -1.800 -5.494 -5.913 1.00 0.00 O ATOM 395 CB VAL A 31 -1.473 -8.802 -5.306 1.00 0.00 C ATOM 396 CG1 VAL A 31 -1.314 -8.552 -3.804 1.00 0.00 C ATOM 397 CG2 VAL A 31 -2.945 -8.973 -5.681 1.00 0.00 C ATOM 0 H VAL A 31 0.985 -8.622 -5.654 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.347 -7.650 -7.076 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.957 -9.731 -5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.782 -9.365 -3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.254 -8.504 -3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.793 -7.609 -3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.380 -9.778 -5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.481 -8.045 -5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.025 -9.218 -6.740 1.00 0.00 H new ATOM 407 N ILE A 32 -0.197 -6.079 -4.429 1.00 0.00 N ATOM 408 CA ILE A 32 -0.240 -4.815 -3.715 1.00 0.00 C ATOM 409 C ILE A 32 -0.142 -3.664 -4.717 1.00 0.00 C ATOM 410 O ILE A 32 -0.891 -2.692 -4.628 1.00 0.00 O ATOM 411 CB ILE A 32 0.835 -4.777 -2.626 1.00 0.00 C ATOM 412 CG1 ILE A 32 0.468 -5.695 -1.460 1.00 0.00 C ATOM 413 CG2 ILE A 32 1.099 -3.342 -2.166 1.00 0.00 C ATOM 414 CD1 ILE A 32 1.712 -6.094 -0.663 1.00 0.00 C ATOM 0 H ILE A 32 0.476 -6.752 -4.063 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.191 -4.704 -3.195 1.00 0.00 H new ATOM 0 HB ILE A 32 1.765 -5.155 -3.051 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.242 -5.190 -0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.028 -6.589 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.867 -3.343 -1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.438 -2.745 -3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.180 -2.914 -1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.423 -6.747 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.409 -6.620 -1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.192 -5.200 -0.265 1.00 0.00 H new ATOM 425 N GLN A 33 0.789 -3.810 -5.648 1.00 0.00 N ATOM 426 CA GLN A 33 0.995 -2.794 -6.666 1.00 0.00 C ATOM 427 C GLN A 33 -0.303 -2.544 -7.437 1.00 0.00 C ATOM 428 O GLN A 33 -0.692 -1.396 -7.649 1.00 0.00 O ATOM 429 CB GLN A 33 2.128 -3.190 -7.615 1.00 0.00 C ATOM 430 CG GLN A 33 3.494 -2.925 -6.980 1.00 0.00 C ATOM 431 CD GLN A 33 4.616 -3.074 -8.009 1.00 0.00 C ATOM 432 OE1 GLN A 33 4.397 -3.421 -9.158 1.00 0.00 O ATOM 433 NE2 GLN A 33 5.826 -2.794 -7.535 1.00 0.00 N ATOM 0 H GLN A 33 1.409 -4.617 -5.719 1.00 0.00 H new ATOM 0 HA GLN A 33 1.286 -1.867 -6.172 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.041 -4.246 -7.870 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.041 -2.629 -8.545 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.514 -1.920 -6.558 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.657 -3.620 -6.156 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.939 -2.509 -6.562 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.641 -2.864 -8.144 1.00 0.00 H new ATOM 440 N ARG A 34 -0.937 -3.636 -7.835 1.00 0.00 N ATOM 441 CA ARG A 34 -2.184 -3.550 -8.578 1.00 0.00 C ATOM 442 C ARG A 34 -3.300 -3.010 -7.681 1.00 0.00 C ATOM 443 O ARG A 34 -3.924 -1.999 -8.001 1.00 0.00 O ATOM 444 CB ARG A 34 -2.595 -4.918 -9.125 1.00 0.00 C ATOM 445 CG ARG A 34 -2.781 -4.870 -10.642 1.00 0.00 C ATOM 446 CD ARG A 34 -3.894 -5.821 -11.090 1.00 0.00 C ATOM 447 NE ARG A 34 -3.317 -6.949 -11.855 1.00 0.00 N ATOM 448 CZ ARG A 34 -2.712 -8.005 -11.294 1.00 0.00 C ATOM 449 NH1 ARG A 34 -2.600 -8.084 -9.961 1.00 0.00 N ATOM 450 NH2 ARG A 34 -2.219 -8.982 -12.068 1.00 0.00 N ATOM 0 H ARG A 34 -0.611 -4.586 -7.657 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.025 -2.870 -9.415 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.836 -5.658 -8.872 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.523 -5.239 -8.652 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.022 -3.853 -10.950 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.847 -5.140 -11.135 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.433 -6.198 -10.221 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.616 -5.285 -11.706 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.384 -6.921 -12.872 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.975 -7.340 -9.373 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.139 -8.888 -9.535 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.305 -8.921 -13.083 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.758 -9.786 -11.642 1.00 0.00 H new ATOM 461 N ASP A 35 -3.516 -3.706 -6.575 1.00 0.00 N ATOM 462 CA ASP A 35 -4.545 -3.309 -5.630 1.00 0.00 C ATOM 463 C ASP A 35 -4.458 -1.800 -5.392 1.00 0.00 C ATOM 464 O ASP A 35 -5.478 -1.113 -5.366 1.00 0.00 O ATOM 465 CB ASP A 35 -4.357 -4.011 -4.283 1.00 0.00 C ATOM 466 CG ASP A 35 -4.292 -5.539 -4.354 1.00 0.00 C ATOM 467 OD1 ASP A 35 -4.927 -6.092 -5.277 1.00 0.00 O ATOM 468 OD2 ASP A 35 -3.607 -6.118 -3.483 1.00 0.00 O ATOM 0 H ASP A 35 -2.996 -4.543 -6.312 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.512 -3.586 -6.049 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.439 -3.644 -3.824 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.178 -3.727 -3.625 1.00 0.00 H new ATOM 472 N LEU A 36 -3.232 -1.329 -5.224 1.00 0.00 N ATOM 473 CA LEU A 36 -2.998 0.085 -4.989 1.00 0.00 C ATOM 474 C LEU A 36 -3.699 0.900 -6.078 1.00 0.00 C ATOM 475 O LEU A 36 -4.550 1.737 -5.781 1.00 0.00 O ATOM 476 CB LEU A 36 -1.500 0.370 -4.878 1.00 0.00 C ATOM 477 CG LEU A 36 -0.872 0.125 -3.504 1.00 0.00 C ATOM 478 CD1 LEU A 36 0.604 0.529 -3.495 1.00 0.00 C ATOM 479 CD2 LEU A 36 -1.665 0.833 -2.403 1.00 0.00 C ATOM 0 H LEU A 36 -2.389 -1.902 -5.246 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.428 0.388 -4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.978 -0.246 -5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.326 1.410 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.915 -0.944 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.026 0.345 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.146 -0.058 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.693 1.588 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.197 0.642 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.676 1.906 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.688 0.456 -2.391 1.00 0.00 H new ATOM 490 N ALA A 37 -3.315 0.628 -7.316 1.00 0.00 N ATOM 491 CA ALA A 37 -3.895 1.326 -8.451 1.00 0.00 C ATOM 492 C ALA A 37 -5.413 1.132 -8.440 1.00 0.00 C ATOM 493 O ALA A 37 -6.163 2.069 -8.713 1.00 0.00 O ATOM 494 CB ALA A 37 -3.253 0.821 -9.745 1.00 0.00 C ATOM 0 H ALA A 37 -2.609 -0.067 -7.559 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.697 2.396 -8.385 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.689 1.345 -10.596 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.179 1.007 -9.715 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.433 -0.249 -9.847 1.00 0.00 H new ATOM 500 N LYS A 38 -5.820 -0.087 -8.122 1.00 0.00 N ATOM 501 CA LYS A 38 -7.235 -0.414 -8.073 1.00 0.00 C ATOM 502 C LYS A 38 -7.984 0.692 -7.328 1.00 0.00 C ATOM 503 O LYS A 38 -9.153 0.953 -7.610 1.00 0.00 O ATOM 504 CB LYS A 38 -7.442 -1.807 -7.475 1.00 0.00 C ATOM 505 CG LYS A 38 -7.871 -2.808 -8.551 1.00 0.00 C ATOM 506 CD LYS A 38 -6.715 -3.117 -9.505 1.00 0.00 C ATOM 507 CE LYS A 38 -6.977 -2.528 -10.893 1.00 0.00 C ATOM 508 NZ LYS A 38 -5.733 -2.514 -11.694 1.00 0.00 N ATOM 0 H LYS A 38 -5.195 -0.861 -7.896 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.651 -0.459 -9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.519 -2.146 -7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.200 -1.762 -6.693 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.214 -3.729 -8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.713 -2.404 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.788 -2.710 -9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.582 -4.196 -9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.740 -3.115 -11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.366 -1.514 -10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.774 -1.738 -12.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.917 -2.375 -11.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.633 -3.419 -12.196 1.00 0.00 H new ATOM 518 N THR A 39 -7.282 1.311 -6.392 1.00 0.00 N ATOM 519 CA THR A 39 -7.865 2.383 -5.604 1.00 0.00 C ATOM 520 C THR A 39 -6.898 3.565 -5.511 1.00 0.00 C ATOM 521 O THR A 39 -6.814 4.378 -6.429 1.00 0.00 O ATOM 522 CB THR A 39 -8.257 1.809 -4.241 1.00 0.00 C ATOM 523 OG1 THR A 39 -7.161 0.968 -3.891 1.00 0.00 O ATOM 524 CG2 THR A 39 -9.447 0.852 -4.328 1.00 0.00 C ATOM 0 H THR A 39 -6.313 1.091 -6.161 1.00 0.00 H new ATOM 0 HA THR A 39 -8.764 2.777 -6.077 1.00 0.00 H new ATOM 0 HB THR A 39 -8.497 2.625 -3.559 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.164 0.812 -2.923 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.683 0.474 -3.333 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.311 1.381 -4.730 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.196 0.018 -4.983 1.00 0.00 H new ATOM 532 N GLY A 40 -6.191 3.622 -4.391 1.00 0.00 N ATOM 533 CA GLY A 40 -5.233 4.691 -4.165 1.00 0.00 C ATOM 534 C GLY A 40 -5.319 5.211 -2.729 1.00 0.00 C ATOM 535 O GLY A 40 -5.319 6.420 -2.502 1.00 0.00 O ATOM 0 H GLY A 40 -6.263 2.945 -3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.225 4.328 -4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.422 5.507 -4.863 1.00 0.00 H new ATOM 539 N CYS A 41 -5.392 4.272 -1.797 1.00 0.00 N ATOM 540 CA CYS A 41 -5.478 4.620 -0.389 1.00 0.00 C ATOM 541 C CYS A 41 -5.078 3.395 0.435 1.00 0.00 C ATOM 542 O CYS A 41 -5.771 2.378 0.419 1.00 0.00 O ATOM 543 CB CYS A 41 -6.873 5.128 -0.017 1.00 0.00 C ATOM 544 SG CYS A 41 -6.871 6.956 0.071 1.00 0.00 S ATOM 0 H CYS A 41 -5.393 3.270 -1.990 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.794 5.440 -0.172 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.600 4.792 -0.756 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.177 4.710 0.943 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.249 7.440 -0.963 1.00 0.00 H new ATOM 549 N VAL A 42 -3.961 3.531 1.135 1.00 0.00 N ATOM 550 CA VAL A 42 -3.460 2.447 1.963 1.00 0.00 C ATOM 551 C VAL A 42 -4.632 1.785 2.693 1.00 0.00 C ATOM 552 O VAL A 42 -4.776 0.564 2.664 1.00 0.00 O ATOM 553 CB VAL A 42 -2.382 2.970 2.914 1.00 0.00 C ATOM 554 CG1 VAL A 42 -1.095 3.298 2.156 1.00 0.00 C ATOM 555 CG2 VAL A 42 -2.884 4.187 3.696 1.00 0.00 C ATOM 0 H VAL A 42 -3.389 4.375 1.146 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.987 1.683 1.347 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.156 2.181 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.345 3.668 2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.722 2.399 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.299 4.062 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.099 4.539 4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.151 4.982 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.760 3.907 4.281 1.00 0.00 H new ATOM 565 N ASP A 43 -5.438 2.622 3.331 1.00 0.00 N ATOM 566 CA ASP A 43 -6.592 2.133 4.066 1.00 0.00 C ATOM 567 C ASP A 43 -7.440 1.251 3.148 1.00 0.00 C ATOM 568 O ASP A 43 -7.757 0.113 3.494 1.00 0.00 O ATOM 569 CB ASP A 43 -7.467 3.291 4.550 1.00 0.00 C ATOM 570 CG ASP A 43 -7.421 3.551 6.057 1.00 0.00 C ATOM 571 OD1 ASP A 43 -7.038 2.609 6.783 1.00 0.00 O ATOM 572 OD2 ASP A 43 -7.770 4.686 6.447 1.00 0.00 O ATOM 0 H ASP A 43 -5.315 3.634 3.354 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.230 1.570 4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.161 4.199 4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.499 3.091 4.262 1.00 0.00 H new ATOM 576 N LEU A 44 -7.785 1.808 1.998 1.00 0.00 N ATOM 577 CA LEU A 44 -8.591 1.085 1.028 1.00 0.00 C ATOM 578 C LEU A 44 -7.963 -0.285 0.769 1.00 0.00 C ATOM 579 O LEU A 44 -8.629 -1.311 0.900 1.00 0.00 O ATOM 580 CB LEU A 44 -8.783 1.923 -0.239 1.00 0.00 C ATOM 581 CG LEU A 44 -10.095 2.704 -0.333 1.00 0.00 C ATOM 582 CD1 LEU A 44 -10.318 3.556 0.918 1.00 0.00 C ATOM 583 CD2 LEU A 44 -10.143 3.543 -1.612 1.00 0.00 C ATOM 0 H LEU A 44 -7.522 2.752 1.715 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.592 0.908 1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.956 2.630 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.714 1.261 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.915 1.988 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.258 4.101 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.358 2.911 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.497 4.265 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.086 4.088 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.314 4.251 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.063 2.888 -2.480 1.00 0.00 H new ATOM 594 N THR A 45 -6.689 -0.258 0.408 1.00 0.00 N ATOM 595 CA THR A 45 -5.964 -1.486 0.131 1.00 0.00 C ATOM 596 C THR A 45 -6.290 -2.548 1.182 1.00 0.00 C ATOM 597 O THR A 45 -6.744 -3.641 0.845 1.00 0.00 O ATOM 598 CB THR A 45 -4.474 -1.148 0.051 1.00 0.00 C ATOM 599 OG1 THR A 45 -4.372 -0.293 -1.084 1.00 0.00 O ATOM 600 CG2 THR A 45 -3.616 -2.360 -0.317 1.00 0.00 C ATOM 0 H THR A 45 -6.140 0.595 0.301 1.00 0.00 H new ATOM 0 HA THR A 45 -6.267 -1.916 -0.824 1.00 0.00 H new ATOM 0 HB THR A 45 -4.142 -0.747 1.008 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.999 0.571 -0.810 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.568 -2.064 -0.360 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.743 -3.138 0.436 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.925 -2.743 -1.290 1.00 0.00 H new ATOM 608 N ILE A 46 -6.046 -2.190 2.433 1.00 0.00 N ATOM 609 CA ILE A 46 -6.310 -3.098 3.537 1.00 0.00 C ATOM 610 C ILE A 46 -7.672 -3.762 3.331 1.00 0.00 C ATOM 611 O ILE A 46 -7.754 -4.974 3.138 1.00 0.00 O ATOM 612 CB ILE A 46 -6.176 -2.369 4.875 1.00 0.00 C ATOM 613 CG1 ILE A 46 -4.709 -2.252 5.293 1.00 0.00 C ATOM 614 CG2 ILE A 46 -7.027 -3.042 5.954 1.00 0.00 C ATOM 615 CD1 ILE A 46 -4.325 -0.792 5.546 1.00 0.00 C ATOM 0 H ILE A 46 -5.668 -1.283 2.708 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.567 -3.895 3.560 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.556 -1.355 4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.536 -2.839 6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.071 -2.670 4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.913 -2.504 6.895 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.074 -3.029 5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.700 -4.074 6.084 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.277 -0.737 5.842 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.476 -0.213 4.635 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.948 -0.385 6.342 1.00 0.00 H new ATOM 626 N THR A 47 -8.710 -2.939 3.381 1.00 0.00 N ATOM 627 CA THR A 47 -10.065 -3.431 3.203 1.00 0.00 C ATOM 628 C THR A 47 -10.177 -4.225 1.900 1.00 0.00 C ATOM 629 O THR A 47 -10.588 -5.385 1.910 1.00 0.00 O ATOM 630 CB THR A 47 -11.015 -2.233 3.267 1.00 0.00 C ATOM 631 OG1 THR A 47 -11.065 -1.904 4.653 1.00 0.00 O ATOM 632 CG2 THR A 47 -12.457 -2.610 2.922 1.00 0.00 C ATOM 0 H THR A 47 -8.639 -1.934 3.542 1.00 0.00 H new ATOM 0 HA THR A 47 -10.341 -4.126 3.996 1.00 0.00 H new ATOM 0 HB THR A 47 -10.669 -1.458 2.583 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.658 -1.135 4.786 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.089 -1.724 2.982 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.495 -3.015 1.911 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.815 -3.360 3.627 1.00 0.00 H new ATOM 640 N ASN A 48 -9.804 -3.570 0.811 1.00 0.00 N ATOM 641 CA ASN A 48 -9.857 -4.202 -0.497 1.00 0.00 C ATOM 642 C ASN A 48 -9.356 -5.642 -0.384 1.00 0.00 C ATOM 643 O ASN A 48 -10.006 -6.570 -0.864 1.00 0.00 O ATOM 644 CB ASN A 48 -8.965 -3.468 -1.499 1.00 0.00 C ATOM 645 CG ASN A 48 -9.474 -2.047 -1.751 1.00 0.00 C ATOM 646 OD1 ASN A 48 -10.644 -1.743 -1.591 1.00 0.00 O ATOM 647 ND2 ASN A 48 -8.532 -1.198 -2.152 1.00 0.00 N ATOM 0 H ASN A 48 -9.464 -2.608 0.807 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.890 -4.172 -0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.943 -3.430 -1.121 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.937 -4.020 -2.439 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.771 -0.226 -2.346 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.571 -1.519 -2.266 1.00 0.00 H new ATOM 653 N LEU A 49 -8.204 -5.786 0.255 1.00 0.00 N ATOM 654 CA LEU A 49 -7.608 -7.099 0.437 1.00 0.00 C ATOM 655 C LEU A 49 -8.615 -8.020 1.129 1.00 0.00 C ATOM 656 O LEU A 49 -8.987 -9.058 0.585 1.00 0.00 O ATOM 657 CB LEU A 49 -6.273 -6.983 1.175 1.00 0.00 C ATOM 658 CG LEU A 49 -5.103 -6.427 0.362 1.00 0.00 C ATOM 659 CD1 LEU A 49 -3.970 -5.959 1.278 1.00 0.00 C ATOM 660 CD2 LEU A 49 -4.619 -7.447 -0.671 1.00 0.00 C ATOM 0 H LEU A 49 -7.668 -5.015 0.653 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.375 -7.549 -0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.417 -6.347 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.997 -7.971 1.543 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.455 -5.553 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.151 -5.568 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.338 -5.175 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.613 -6.799 1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.787 -7.026 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.291 -8.353 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.434 -7.689 -1.353 1.00 0.00 H new ATOM 671 N LEU A 50 -9.028 -7.606 2.318 1.00 0.00 N ATOM 672 CA LEU A 50 -9.985 -8.380 3.089 1.00 0.00 C ATOM 673 C LEU A 50 -11.253 -8.591 2.259 1.00 0.00 C ATOM 674 O LEU A 50 -11.574 -9.717 1.885 1.00 0.00 O ATOM 675 CB LEU A 50 -10.240 -7.720 4.446 1.00 0.00 C ATOM 676 CG LEU A 50 -9.114 -7.841 5.474 1.00 0.00 C ATOM 677 CD1 LEU A 50 -8.963 -6.548 6.277 1.00 0.00 C ATOM 678 CD2 LEU A 50 -9.326 -9.056 6.379 1.00 0.00 C ATOM 0 H LEU A 50 -8.717 -6.744 2.766 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.583 -9.368 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.442 -6.662 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.144 -8.153 4.874 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.178 -7.998 4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.156 -6.661 7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.732 -5.725 5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.894 -6.335 6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.511 -9.119 7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.273 -8.954 6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.345 -9.962 5.773 1.00 0.00 H new ATOM 689 N GLU A 51 -11.939 -7.488 1.996 1.00 0.00 N ATOM 690 CA GLU A 51 -13.164 -7.537 1.217 1.00 0.00 C ATOM 691 C GLU A 51 -12.920 -8.255 -0.112 1.00 0.00 C ATOM 692 O GLU A 51 -13.261 -9.427 -0.260 1.00 0.00 O ATOM 693 CB GLU A 51 -13.723 -6.132 0.985 1.00 0.00 C ATOM 694 CG GLU A 51 -15.013 -5.918 1.781 1.00 0.00 C ATOM 695 CD GLU A 51 -16.171 -6.705 1.168 1.00 0.00 C ATOM 696 OE1 GLU A 51 -15.891 -7.791 0.615 1.00 0.00 O ATOM 697 OE2 GLU A 51 -17.313 -6.204 1.266 1.00 0.00 O ATOM 0 H GLU A 51 -11.669 -6.555 2.309 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.907 -8.100 1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.982 -5.389 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.918 -5.985 -0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.863 -6.230 2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.260 -4.857 1.801 1.00 0.00 H new ATOM 702 N GLY A 52 -12.330 -7.522 -1.045 1.00 0.00 N ATOM 703 CA GLY A 52 -12.036 -8.075 -2.356 1.00 0.00 C ATOM 704 C GLY A 52 -12.805 -7.329 -3.450 1.00 0.00 C ATOM 705 O GLY A 52 -13.672 -7.903 -4.105 1.00 0.00 O ATOM 0 H GLY A 52 -12.048 -6.550 -0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.965 -8.011 -2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.301 -9.132 -2.377 1.00 0.00 H new ATOM 709 N ALA A 53 -12.457 -6.061 -3.614 1.00 0.00 N ATOM 710 CA ALA A 53 -13.103 -5.231 -4.617 1.00 0.00 C ATOM 711 C ALA A 53 -12.371 -5.388 -5.950 1.00 0.00 C ATOM 712 O ALA A 53 -12.579 -6.367 -6.665 1.00 0.00 O ATOM 713 CB ALA A 53 -13.134 -3.779 -4.135 1.00 0.00 C ATOM 0 H ALA A 53 -11.736 -5.588 -3.069 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.135 -5.546 -4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.618 -3.156 -4.887 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.691 -3.718 -3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.115 -3.427 -3.974 1.00 0.00 H new ATOM 719 N VAL A 54 -11.529 -4.409 -6.246 1.00 0.00 N ATOM 720 CA VAL A 54 -10.765 -4.426 -7.482 1.00 0.00 C ATOM 721 C VAL A 54 -11.723 -4.331 -8.670 1.00 0.00 C ATOM 722 O VAL A 54 -12.737 -5.026 -8.712 1.00 0.00 O ATOM 723 CB VAL A 54 -9.875 -5.670 -7.530 1.00 0.00 C ATOM 724 CG1 VAL A 54 -9.166 -5.785 -8.880 1.00 0.00 C ATOM 725 CG2 VAL A 54 -8.866 -5.667 -6.379 1.00 0.00 C ATOM 0 H VAL A 54 -11.359 -3.598 -5.651 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.099 -3.564 -7.531 1.00 0.00 H new ATOM 0 HB VAL A 54 -10.515 -6.544 -7.412 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.540 -6.677 -8.887 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.908 -5.855 -9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.544 -4.904 -9.041 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.246 -6.562 -6.436 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.234 -4.782 -6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.399 -5.655 -5.428 1.00 0.00 H new ATOM 735 N ALA A 55 -11.369 -3.463 -9.607 1.00 0.00 N ATOM 736 CA ALA A 55 -12.185 -3.268 -10.793 1.00 0.00 C ATOM 737 C ALA A 55 -11.554 -4.015 -11.970 1.00 0.00 C ATOM 738 O ALA A 55 -10.347 -3.927 -12.190 1.00 0.00 O ATOM 739 CB ALA A 55 -12.337 -1.770 -11.067 1.00 0.00 C ATOM 0 H ALA A 55 -10.528 -2.887 -9.568 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.185 -3.675 -10.642 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.949 -1.623 -11.957 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.817 -1.291 -10.213 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.354 -1.328 -11.226 1.00 0.00 H new ATOM 745 N PHE A 56 -12.399 -4.734 -12.694 1.00 0.00 N ATOM 746 CA PHE A 56 -11.939 -5.495 -13.843 1.00 0.00 C ATOM 747 C PHE A 56 -11.903 -4.624 -15.100 1.00 0.00 C ATOM 748 O PHE A 56 -11.437 -5.063 -16.150 1.00 0.00 O ATOM 749 CB PHE A 56 -12.940 -6.634 -14.055 1.00 0.00 C ATOM 750 CG PHE A 56 -12.612 -7.537 -15.245 1.00 0.00 C ATOM 751 CD1 PHE A 56 -13.015 -7.188 -16.496 1.00 0.00 C ATOM 752 CD2 PHE A 56 -11.917 -8.690 -15.053 1.00 0.00 C ATOM 753 CE1 PHE A 56 -12.711 -8.026 -17.601 1.00 0.00 C ATOM 754 CE2 PHE A 56 -11.611 -9.529 -16.157 1.00 0.00 C ATOM 755 CZ PHE A 56 -12.016 -9.179 -17.408 1.00 0.00 C ATOM 0 H PHE A 56 -13.399 -4.806 -12.507 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.930 -5.867 -13.663 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -12.980 -7.242 -13.151 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -13.934 -6.209 -14.198 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -13.567 -6.272 -16.649 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -11.597 -8.968 -14.060 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -13.031 -7.748 -18.594 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -11.058 -10.444 -16.004 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.785 -9.817 -18.248 1.00 0.00 H new ATOM 764 N MET A 57 -12.399 -3.405 -14.951 1.00 0.00 N ATOM 765 CA MET A 57 -12.429 -2.468 -16.061 1.00 0.00 C ATOM 766 C MET A 57 -12.836 -3.169 -17.359 1.00 0.00 C ATOM 767 O MET A 57 -11.986 -3.687 -18.082 1.00 0.00 O ATOM 768 CB MET A 57 -11.047 -1.836 -16.234 1.00 0.00 C ATOM 769 CG MET A 57 -10.740 -0.869 -15.088 1.00 0.00 C ATOM 770 SD MET A 57 -10.117 0.672 -15.742 1.00 0.00 S ATOM 771 CE MET A 57 -10.176 1.678 -14.269 1.00 0.00 C ATOM 0 H MET A 57 -12.784 -3.044 -14.078 1.00 0.00 H new ATOM 0 HA MET A 57 -13.166 -1.696 -15.840 1.00 0.00 H new ATOM 0 HB2 MET A 57 -10.288 -2.617 -16.269 1.00 0.00 H new ATOM 0 HB3 MET A 57 -11.002 -1.305 -17.185 1.00 0.00 H new ATOM 0 HG2 MET A 57 -11.641 -0.688 -14.503 1.00 0.00 H new ATOM 0 HG3 MET A 57 -10.006 -1.311 -14.414 1.00 0.00 H new ATOM 0 HE1 MET A 57 -9.818 2.682 -14.499 1.00 0.00 H new ATOM 0 HE2 MET A 57 -11.203 1.733 -13.907 1.00 0.00 H new ATOM 0 HE3 MET A 57 -9.543 1.235 -13.500 1.00 0.00 H new ATOM 779 N PRO A 58 -14.170 -3.163 -17.622 1.00 0.00 N ATOM 780 CA PRO A 58 -14.700 -3.791 -18.821 1.00 0.00 C ATOM 781 C PRO A 58 -14.417 -2.938 -20.058 1.00 0.00 C ATOM 782 O PRO A 58 -14.530 -1.713 -20.012 1.00 0.00 O ATOM 783 CB PRO A 58 -16.185 -3.968 -18.548 1.00 0.00 C ATOM 784 CG PRO A 58 -16.516 -3.018 -17.409 1.00 0.00 C ATOM 785 CD PRO A 58 -15.207 -2.559 -16.789 1.00 0.00 C ATOM 0 HA PRO A 58 -14.231 -4.751 -19.036 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -16.775 -3.736 -19.434 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -16.412 -4.999 -18.275 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -17.084 -2.164 -17.777 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -17.137 -3.516 -16.665 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -15.130 -1.472 -16.787 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -15.123 -2.887 -15.753 1.00 0.00 H new ATOM 790 N GLU A 59 -14.054 -3.617 -21.136 1.00 0.00 N ATOM 791 CA GLU A 59 -13.753 -2.937 -22.384 1.00 0.00 C ATOM 792 C GLU A 59 -14.932 -2.058 -22.806 1.00 0.00 C ATOM 793 O GLU A 59 -16.088 -2.422 -22.598 1.00 0.00 O ATOM 794 CB GLU A 59 -13.395 -3.940 -23.483 1.00 0.00 C ATOM 795 CG GLU A 59 -14.593 -4.826 -23.827 1.00 0.00 C ATOM 796 CD GLU A 59 -14.615 -6.082 -22.952 1.00 0.00 C ATOM 797 OE1 GLU A 59 -13.789 -6.978 -23.225 1.00 0.00 O ATOM 798 OE2 GLU A 59 -15.459 -6.115 -22.030 1.00 0.00 O ATOM 0 H GLU A 59 -13.961 -4.632 -21.171 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.885 -2.297 -22.227 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.065 -3.406 -24.374 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.561 -4.561 -23.156 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.517 -4.265 -23.687 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.549 -5.111 -24.878 1.00 0.00 H new ATOM 803 N ASP A 60 -14.598 -0.917 -23.392 1.00 0.00 N ATOM 804 CA ASP A 60 -15.615 0.017 -23.845 1.00 0.00 C ATOM 805 C ASP A 60 -14.964 1.083 -24.729 1.00 0.00 C ATOM 806 O ASP A 60 -14.207 1.921 -24.241 1.00 0.00 O ATOM 807 CB ASP A 60 -16.280 0.725 -22.662 1.00 0.00 C ATOM 808 CG ASP A 60 -17.717 0.286 -22.371 1.00 0.00 C ATOM 809 OD1 ASP A 60 -18.607 0.713 -23.138 1.00 0.00 O ATOM 810 OD2 ASP A 60 -17.892 -0.467 -21.389 1.00 0.00 O ATOM 0 H ASP A 60 -13.638 -0.618 -23.563 1.00 0.00 H new ATOM 0 HA ASP A 60 -16.368 -0.546 -24.397 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -15.676 0.555 -21.770 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -16.275 1.799 -22.851 1.00 0.00 H new ATOM 814 N ILE A 61 -15.284 1.017 -26.013 1.00 0.00 N ATOM 815 CA ILE A 61 -14.740 1.967 -26.969 1.00 0.00 C ATOM 816 C ILE A 61 -15.721 3.127 -27.144 1.00 0.00 C ATOM 817 O ILE A 61 -15.318 4.244 -27.466 1.00 0.00 O ATOM 818 CB ILE A 61 -14.380 1.262 -28.278 1.00 0.00 C ATOM 819 CG1 ILE A 61 -15.637 0.782 -29.006 1.00 0.00 C ATOM 820 CG2 ILE A 61 -13.389 0.123 -28.034 1.00 0.00 C ATOM 821 CD1 ILE A 61 -16.063 1.783 -30.083 1.00 0.00 C ATOM 0 H ILE A 61 -15.913 0.321 -26.414 1.00 0.00 H new ATOM 0 HA ILE A 61 -13.808 2.392 -26.596 1.00 0.00 H new ATOM 0 HB ILE A 61 -13.886 1.983 -28.929 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -15.449 -0.190 -29.462 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -16.447 0.646 -28.290 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -13.150 -0.361 -28.981 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.477 0.523 -27.591 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -13.832 -0.606 -27.356 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -16.959 1.418 -30.585 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -16.274 2.747 -29.621 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -15.260 1.898 -30.811 1.00 0.00 H new TER 832 ILE A 61