USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -30:sc= -0.0942! USER MOD Single : A 6 SER OG : rot 180:sc= 0.0695 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00223 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 57:sc= 1.23 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.072 X(o=-0.072,f=-0.45) USER MOD Single : A 44 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0435) USER MOD Single : A 45 GLN : amide:sc= 0.128 X(o=0.13,f=-0.31) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.085 39.572 -17.226 1.00 0.00 N ATOM 2 CA MET A 1 -7.209 38.382 -17.031 1.00 0.00 C ATOM 3 C MET A 1 -5.874 38.616 -17.730 1.00 0.00 C ATOM 4 O MET A 1 -5.555 37.951 -18.716 1.00 0.00 O ATOM 5 CB MET A 1 -7.895 37.144 -17.613 1.00 0.00 C ATOM 6 CG MET A 1 -7.194 35.884 -17.104 1.00 0.00 C ATOM 7 SD MET A 1 -7.864 34.435 -17.958 1.00 0.00 S ATOM 8 CE MET A 1 -6.530 33.287 -17.537 1.00 0.00 C ATOM 0 H1 MET A 1 -8.996 39.414 -16.750 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.624 40.412 -16.822 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.247 39.721 -18.242 1.00 0.00 H new ATOM 0 HA MET A 1 -7.033 38.225 -15.967 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.946 37.129 -17.325 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.863 37.176 -18.702 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.120 35.957 -17.277 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.338 35.784 -16.028 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.741 32.310 -17.971 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.587 33.664 -17.933 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.458 33.195 -16.453 1.00 0.00 H new ATOM 20 N SER A 2 -5.100 39.564 -17.215 1.00 0.00 N ATOM 21 CA SER A 2 -3.800 39.877 -17.799 1.00 0.00 C ATOM 22 C SER A 2 -2.917 40.601 -16.787 1.00 0.00 C ATOM 23 O SER A 2 -1.714 40.751 -16.994 1.00 0.00 O ATOM 24 CB SER A 2 -3.982 40.753 -19.039 1.00 0.00 C ATOM 25 OG SER A 2 -4.987 40.189 -19.869 1.00 0.00 O ATOM 0 H SER A 2 -5.347 40.126 -16.400 1.00 0.00 H new ATOM 0 HA SER A 2 -3.316 38.942 -18.082 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.262 41.765 -18.746 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.042 40.828 -19.586 1.00 0.00 H new ATOM 0 HG SER A 2 -4.997 39.216 -19.755 1.00 0.00 H new ATOM 31 N GLU A 3 -3.526 41.048 -15.692 1.00 0.00 N ATOM 32 CA GLU A 3 -2.783 41.750 -14.651 1.00 0.00 C ATOM 33 C GLU A 3 -3.214 41.269 -13.269 1.00 0.00 C ATOM 34 O GLU A 3 -3.777 42.030 -12.483 1.00 0.00 O ATOM 35 CB GLU A 3 -3.020 43.257 -14.767 1.00 0.00 C ATOM 36 CG GLU A 3 -2.409 43.772 -16.071 1.00 0.00 C ATOM 37 CD GLU A 3 -2.446 45.297 -16.099 1.00 0.00 C ATOM 38 OE1 GLU A 3 -2.535 45.886 -15.033 1.00 0.00 O ATOM 39 OE2 GLU A 3 -2.384 45.851 -17.182 1.00 0.00 O ATOM 0 H GLU A 3 -4.522 40.938 -15.504 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.722 41.539 -14.782 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.089 43.470 -14.745 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -2.574 43.772 -13.916 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -1.380 43.423 -16.163 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.958 43.371 -16.923 1.00 0.00 H new ATOM 46 N PRO A 4 -2.960 40.025 -12.970 1.00 0.00 N ATOM 47 CA PRO A 4 -3.326 39.420 -11.656 1.00 0.00 C ATOM 48 C PRO A 4 -2.355 39.821 -10.548 1.00 0.00 C ATOM 49 O PRO A 4 -1.151 39.591 -10.650 1.00 0.00 O ATOM 50 CB PRO A 4 -3.260 37.915 -11.919 1.00 0.00 C ATOM 51 CG PRO A 4 -2.298 37.750 -13.051 1.00 0.00 C ATOM 52 CD PRO A 4 -2.294 39.058 -13.855 1.00 0.00 C ATOM 0 HA PRO A 4 -4.304 39.754 -11.310 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -2.921 37.376 -11.034 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.242 37.518 -12.177 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.299 37.529 -12.675 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.592 36.913 -13.684 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.279 39.373 -14.098 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.828 38.948 -14.799 1.00 0.00 H new ATOM 60 N VAL A 5 -2.890 40.426 -9.492 1.00 0.00 N ATOM 61 CA VAL A 5 -2.062 40.853 -8.369 1.00 0.00 C ATOM 62 C VAL A 5 -1.951 39.741 -7.331 1.00 0.00 C ATOM 63 O VAL A 5 -0.852 39.311 -6.983 1.00 0.00 O ATOM 64 CB VAL A 5 -2.665 42.101 -7.721 1.00 0.00 C ATOM 65 CG1 VAL A 5 -1.872 42.458 -6.464 1.00 0.00 C ATOM 66 CG2 VAL A 5 -2.604 43.267 -8.709 1.00 0.00 C ATOM 0 H VAL A 5 -3.884 40.630 -9.390 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.065 41.084 -8.744 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.703 41.905 -7.452 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.302 43.347 -6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.914 41.627 -5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.834 42.654 -6.732 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.033 44.157 -8.249 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.566 43.462 -8.978 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.169 43.014 -9.606 1.00 0.00 H new ATOM 76 N SER A 6 -3.097 39.281 -6.839 1.00 0.00 N ATOM 77 CA SER A 6 -3.117 38.219 -5.840 1.00 0.00 C ATOM 78 C SER A 6 -2.328 37.008 -6.331 1.00 0.00 C ATOM 79 O SER A 6 -1.200 36.772 -5.897 1.00 0.00 O ATOM 80 CB SER A 6 -4.559 37.806 -5.546 1.00 0.00 C ATOM 81 OG SER A 6 -5.342 37.967 -6.722 1.00 0.00 O ATOM 0 H SER A 6 -4.018 39.624 -7.113 1.00 0.00 H new ATOM 0 HA SER A 6 -2.654 38.595 -4.927 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.592 36.769 -5.212 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.966 38.414 -4.738 1.00 0.00 H new ATOM 0 HG SER A 6 -6.267 37.701 -6.538 1.00 0.00 H new ATOM 87 N LEU A 7 -2.929 36.245 -7.237 1.00 0.00 N ATOM 88 CA LEU A 7 -2.273 35.060 -7.779 1.00 0.00 C ATOM 89 C LEU A 7 -1.671 34.221 -6.656 1.00 0.00 C ATOM 90 O LEU A 7 -0.780 33.404 -6.889 1.00 0.00 O ATOM 91 CB LEU A 7 -1.172 35.474 -8.757 1.00 0.00 C ATOM 92 CG LEU A 7 -0.882 34.319 -9.718 1.00 0.00 C ATOM 93 CD1 LEU A 7 -1.760 34.456 -10.961 1.00 0.00 C ATOM 94 CD2 LEU A 7 0.591 34.357 -10.128 1.00 0.00 C ATOM 0 H LEU A 7 -3.862 36.423 -7.609 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.018 34.462 -8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.481 36.357 -9.316 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.268 35.742 -8.211 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.099 33.372 -9.224 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.553 33.633 -11.645 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.810 34.430 -10.669 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.544 35.403 -11.456 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.799 33.535 -10.813 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.807 35.304 -10.622 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.218 34.259 -9.242 1.00 0.00 H new ATOM 106 N LEU A 8 -2.164 34.427 -5.439 1.00 0.00 N ATOM 107 CA LEU A 8 -1.666 33.684 -4.288 1.00 0.00 C ATOM 108 C LEU A 8 -2.825 33.191 -3.427 1.00 0.00 C ATOM 109 O LEU A 8 -3.599 33.988 -2.898 1.00 0.00 O ATOM 110 CB LEU A 8 -0.746 34.572 -3.449 1.00 0.00 C ATOM 111 CG LEU A 8 0.602 34.723 -4.155 1.00 0.00 C ATOM 112 CD1 LEU A 8 1.169 36.117 -3.882 1.00 0.00 C ATOM 113 CD2 LEU A 8 1.574 33.667 -3.625 1.00 0.00 C ATOM 0 H LEU A 8 -2.903 35.097 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.105 32.823 -4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.203 35.551 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.604 34.135 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 8 0.467 34.590 -5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.130 36.224 -4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.477 36.871 -4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.305 36.251 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.536 33.773 -4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.708 33.802 -2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.172 32.673 -3.818 1.00 0.00 H new ATOM 125 N THR A 9 -2.938 31.874 -3.294 1.00 0.00 N ATOM 126 CA THR A 9 -4.010 31.286 -2.498 1.00 0.00 C ATOM 127 C THR A 9 -3.485 30.112 -1.675 1.00 0.00 C ATOM 128 O THR A 9 -3.756 28.953 -1.985 1.00 0.00 O ATOM 129 CB THR A 9 -5.137 30.805 -3.415 1.00 0.00 C ATOM 130 OG1 THR A 9 -4.578 30.215 -4.579 1.00 0.00 O ATOM 131 CG2 THR A 9 -6.015 31.993 -3.812 1.00 0.00 C ATOM 0 H THR A 9 -2.306 31.198 -3.723 1.00 0.00 H new ATOM 0 HA THR A 9 -4.393 32.048 -1.819 1.00 0.00 H new ATOM 0 HB THR A 9 -5.744 30.067 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.298 29.905 -5.167 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.818 31.650 -4.465 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.443 32.444 -2.917 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.411 32.733 -4.337 1.00 0.00 H new ATOM 139 N PRO A 10 -2.745 30.399 -0.639 1.00 0.00 N ATOM 140 CA PRO A 10 -2.162 29.356 0.250 1.00 0.00 C ATOM 141 C PRO A 10 -3.217 28.698 1.136 1.00 0.00 C ATOM 142 O PRO A 10 -3.197 27.486 1.346 1.00 0.00 O ATOM 143 CB PRO A 10 -1.143 30.125 1.093 1.00 0.00 C ATOM 144 CG PRO A 10 -1.612 31.542 1.088 1.00 0.00 C ATOM 145 CD PRO A 10 -2.385 31.757 -0.205 1.00 0.00 C ATOM 0 HA PRO A 10 -1.720 28.537 -0.317 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.096 29.731 2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.141 30.041 0.671 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.246 31.740 1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.766 32.227 1.149 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.271 32.371 -0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.777 32.266 -0.953 1.00 0.00 H new ATOM 153 N SER A 11 -4.137 29.507 1.652 1.00 0.00 N ATOM 154 CA SER A 11 -5.196 28.994 2.511 1.00 0.00 C ATOM 155 C SER A 11 -5.895 27.810 1.851 1.00 0.00 C ATOM 156 O SER A 11 -6.441 26.940 2.531 1.00 0.00 O ATOM 157 CB SER A 11 -6.217 30.096 2.798 1.00 0.00 C ATOM 158 OG SER A 11 -7.274 29.563 3.585 1.00 0.00 O ATOM 0 H SER A 11 -4.170 30.514 1.491 1.00 0.00 H new ATOM 0 HA SER A 11 -4.748 28.662 3.448 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.739 30.923 3.323 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.610 30.496 1.863 1.00 0.00 H new ATOM 0 HG SER A 11 -7.930 30.267 3.772 1.00 0.00 H new ATOM 164 N ASP A 12 -5.876 27.783 0.523 1.00 0.00 N ATOM 165 CA ASP A 12 -6.514 26.702 -0.220 1.00 0.00 C ATOM 166 C ASP A 12 -5.484 25.657 -0.639 1.00 0.00 C ATOM 167 O ASP A 12 -5.716 24.455 -0.506 1.00 0.00 O ATOM 168 CB ASP A 12 -7.210 27.262 -1.462 1.00 0.00 C ATOM 169 CG ASP A 12 -8.687 26.877 -1.449 1.00 0.00 C ATOM 170 OD1 ASP A 12 -9.318 27.062 -0.422 1.00 0.00 O ATOM 171 OD2 ASP A 12 -9.163 26.403 -2.468 1.00 0.00 O ATOM 0 H ASP A 12 -5.429 28.492 -0.058 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.252 26.228 0.428 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.108 28.347 -1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.733 26.875 -2.362 1.00 0.00 H new ATOM 176 N LEU A 13 -4.348 26.124 -1.145 1.00 0.00 N ATOM 177 CA LEU A 13 -3.290 25.221 -1.581 1.00 0.00 C ATOM 178 C LEU A 13 -2.721 24.449 -0.395 1.00 0.00 C ATOM 179 O LEU A 13 -1.772 24.893 0.250 1.00 0.00 O ATOM 180 CB LEU A 13 -2.172 26.016 -2.259 1.00 0.00 C ATOM 181 CG LEU A 13 -2.265 25.836 -3.775 1.00 0.00 C ATOM 182 CD1 LEU A 13 -1.959 24.383 -4.138 1.00 0.00 C ATOM 183 CD2 LEU A 13 -3.678 26.191 -4.243 1.00 0.00 C ATOM 0 H LEU A 13 -4.137 27.115 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.714 24.511 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.255 27.072 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.200 25.676 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.543 26.491 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.026 24.256 -5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.953 24.129 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.680 23.727 -3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.746 26.063 -5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.399 25.536 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.897 27.227 -3.986 1.00 0.00 H new ATOM 195 N ASP A 14 -3.308 23.290 -0.113 1.00 0.00 N ATOM 196 CA ASP A 14 -2.850 22.464 0.999 1.00 0.00 C ATOM 197 C ASP A 14 -2.381 21.103 0.496 1.00 0.00 C ATOM 198 O ASP A 14 -3.178 20.182 0.325 1.00 0.00 O ATOM 199 CB ASP A 14 -3.985 22.274 2.007 1.00 0.00 C ATOM 200 CG ASP A 14 -4.387 23.619 2.602 1.00 0.00 C ATOM 201 OD1 ASP A 14 -3.709 24.069 3.510 1.00 0.00 O ATOM 202 OD2 ASP A 14 -5.366 24.180 2.140 1.00 0.00 O ATOM 0 H ASP A 14 -4.095 22.904 -0.634 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.013 22.968 1.483 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.843 21.813 1.518 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.668 21.597 2.800 1.00 0.00 H new ATOM 207 N PRO A 15 -1.104 20.968 0.262 1.00 0.00 N ATOM 208 CA PRO A 15 -0.503 19.695 -0.230 1.00 0.00 C ATOM 209 C PRO A 15 -0.918 18.497 0.622 1.00 0.00 C ATOM 210 O PRO A 15 -0.757 17.348 0.213 1.00 0.00 O ATOM 211 CB PRO A 15 1.003 19.942 -0.127 1.00 0.00 C ATOM 212 CG PRO A 15 1.170 21.424 -0.179 1.00 0.00 C ATOM 213 CD PRO A 15 -0.091 22.021 0.441 1.00 0.00 C ATOM 0 HA PRO A 15 -0.831 19.451 -1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.405 19.534 0.801 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.537 19.458 -0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.058 21.734 0.372 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.297 21.765 -1.207 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.056 22.260 1.494 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.383 22.945 -0.058 1.00 0.00 H new ATOM 221 N LEU A 16 -1.454 18.776 1.806 1.00 0.00 N ATOM 222 CA LEU A 16 -1.889 17.714 2.705 1.00 0.00 C ATOM 223 C LEU A 16 -2.910 16.815 2.017 1.00 0.00 C ATOM 224 O LEU A 16 -2.918 15.600 2.219 1.00 0.00 O ATOM 225 CB LEU A 16 -2.506 18.319 3.966 1.00 0.00 C ATOM 226 CG LEU A 16 -1.764 17.799 5.198 1.00 0.00 C ATOM 227 CD1 LEU A 16 -2.313 18.481 6.454 1.00 0.00 C ATOM 228 CD2 LEU A 16 -1.964 16.286 5.314 1.00 0.00 C ATOM 0 H LEU A 16 -1.597 19.721 2.163 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.020 17.115 2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.448 19.407 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.562 18.058 4.028 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.701 18.020 5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.783 18.109 7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.171 19.559 6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.376 18.261 6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.435 15.915 6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.027 16.066 5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.572 15.798 4.422 1.00 0.00 H new ATOM 240 N ILE A 17 -3.771 17.418 1.203 1.00 0.00 N ATOM 241 CA ILE A 17 -4.795 16.662 0.493 1.00 0.00 C ATOM 242 C ILE A 17 -4.165 15.790 -0.588 1.00 0.00 C ATOM 243 O ILE A 17 -4.600 14.664 -0.823 1.00 0.00 O ATOM 244 CB ILE A 17 -5.803 17.619 -0.144 1.00 0.00 C ATOM 245 CG1 ILE A 17 -7.041 16.834 -0.587 1.00 0.00 C ATOM 246 CG2 ILE A 17 -5.169 18.295 -1.361 1.00 0.00 C ATOM 247 CD1 ILE A 17 -8.150 17.811 -0.982 1.00 0.00 C ATOM 0 H ILE A 17 -3.780 18.421 1.020 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.307 16.019 1.209 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.092 18.377 0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.793 16.189 -1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.383 16.187 0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.888 18.977 -1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.287 18.854 -1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.879 17.537 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.031 17.253 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.404 18.438 -0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.806 18.440 -1.803 1.00 0.00 H new ATOM 259 N LEU A 18 -3.136 16.320 -1.242 1.00 0.00 N ATOM 260 CA LEU A 18 -2.450 15.579 -2.295 1.00 0.00 C ATOM 261 C LEU A 18 -1.822 14.307 -1.734 1.00 0.00 C ATOM 262 O LEU A 18 -1.889 13.245 -2.352 1.00 0.00 O ATOM 263 CB LEU A 18 -1.363 16.452 -2.925 1.00 0.00 C ATOM 264 CG LEU A 18 -1.653 16.633 -4.417 1.00 0.00 C ATOM 265 CD1 LEU A 18 -0.620 17.581 -5.027 1.00 0.00 C ATOM 266 CD2 LEU A 18 -1.575 15.275 -5.118 1.00 0.00 C ATOM 0 H LEU A 18 -2.761 17.252 -1.064 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.181 15.305 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.329 17.423 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.386 15.990 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.651 17.053 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.827 17.710 -6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.674 18.548 -4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.378 17.162 -4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.781 15.402 -6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.577 14.856 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.311 14.599 -4.684 1.00 0.00 H new ATOM 278 N THR A 19 -1.213 14.425 -0.558 1.00 0.00 N ATOM 279 CA THR A 19 -0.576 13.276 0.078 1.00 0.00 C ATOM 280 C THR A 19 -1.621 12.243 0.486 1.00 0.00 C ATOM 281 O THR A 19 -1.420 11.040 0.313 1.00 0.00 O ATOM 282 CB THR A 19 0.204 13.731 1.314 1.00 0.00 C ATOM 283 OG1 THR A 19 0.933 14.910 1.004 1.00 0.00 O ATOM 284 CG2 THR A 19 1.172 12.626 1.742 1.00 0.00 C ATOM 0 H THR A 19 -1.147 15.295 -0.030 1.00 0.00 H new ATOM 0 HA THR A 19 0.109 12.821 -0.637 1.00 0.00 H new ATOM 0 HB THR A 19 -0.491 13.938 2.128 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.432 15.204 1.795 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.728 12.950 2.622 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.611 11.722 1.979 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.868 12.418 0.930 1.00 0.00 H new ATOM 292 N LEU A 20 -2.738 12.718 1.028 1.00 0.00 N ATOM 293 CA LEU A 20 -3.808 11.825 1.457 1.00 0.00 C ATOM 294 C LEU A 20 -4.283 10.959 0.294 1.00 0.00 C ATOM 295 O LEU A 20 -4.413 9.742 0.426 1.00 0.00 O ATOM 296 CB LEU A 20 -4.982 12.640 2.001 1.00 0.00 C ATOM 297 CG LEU A 20 -5.055 12.480 3.520 1.00 0.00 C ATOM 298 CD1 LEU A 20 -5.365 11.022 3.866 1.00 0.00 C ATOM 299 CD2 LEU A 20 -3.712 12.875 4.138 1.00 0.00 C ATOM 0 H LEU A 20 -2.925 13.709 1.180 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.421 11.177 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.860 13.691 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.913 12.305 1.544 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.842 13.122 3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.417 10.908 4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.321 10.739 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.578 10.379 3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.762 12.762 5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.926 12.232 3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.490 13.913 3.892 1.00 0.00 H new ATOM 311 N SER A 21 -4.540 11.596 -0.844 1.00 0.00 N ATOM 312 CA SER A 21 -5.002 10.873 -2.024 1.00 0.00 C ATOM 313 C SER A 21 -3.977 9.824 -2.445 1.00 0.00 C ATOM 314 O SER A 21 -4.336 8.699 -2.795 1.00 0.00 O ATOM 315 CB SER A 21 -5.235 11.851 -3.175 1.00 0.00 C ATOM 316 OG SER A 21 -6.623 12.140 -3.272 1.00 0.00 O ATOM 0 H SER A 21 -4.437 12.602 -0.974 1.00 0.00 H new ATOM 0 HA SER A 21 -5.938 10.371 -1.777 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.672 12.769 -3.007 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.875 11.422 -4.110 1.00 0.00 H new ATOM 0 HG SER A 21 -6.776 12.768 -4.008 1.00 0.00 H new ATOM 322 N LEU A 22 -2.703 10.200 -2.408 1.00 0.00 N ATOM 323 CA LEU A 22 -1.636 9.282 -2.791 1.00 0.00 C ATOM 324 C LEU A 22 -1.610 8.073 -1.863 1.00 0.00 C ATOM 325 O LEU A 22 -1.501 6.933 -2.314 1.00 0.00 O ATOM 326 CB LEU A 22 -0.285 10.000 -2.736 1.00 0.00 C ATOM 327 CG LEU A 22 0.528 9.657 -3.985 1.00 0.00 C ATOM 328 CD1 LEU A 22 1.863 10.402 -3.947 1.00 0.00 C ATOM 329 CD2 LEU A 22 0.788 8.149 -4.023 1.00 0.00 C ATOM 0 H LEU A 22 -2.386 11.125 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.824 8.940 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.437 11.078 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.261 9.702 -1.841 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.028 9.955 -4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.442 10.157 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.680 11.476 -3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.420 10.105 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.367 7.902 -4.913 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.345 7.853 -3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.163 7.616 -4.050 1.00 0.00 H new ATOM 341 N ILE A 23 -1.710 8.329 -0.563 1.00 0.00 N ATOM 342 CA ILE A 23 -1.698 7.253 0.422 1.00 0.00 C ATOM 343 C ILE A 23 -2.898 6.331 0.221 1.00 0.00 C ATOM 344 O ILE A 23 -2.765 5.108 0.254 1.00 0.00 O ATOM 345 CB ILE A 23 -1.731 7.836 1.834 1.00 0.00 C ATOM 346 CG1 ILE A 23 -0.405 8.547 2.121 1.00 0.00 C ATOM 347 CG2 ILE A 23 -1.933 6.709 2.848 1.00 0.00 C ATOM 348 CD1 ILE A 23 -0.603 9.558 3.252 1.00 0.00 C ATOM 0 H ILE A 23 -1.800 9.265 -0.169 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.783 6.675 0.291 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.553 8.548 1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.358 7.819 2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.050 9.054 1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.956 7.125 3.855 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.875 6.200 2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.112 5.997 2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.340 10.064 3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.352 10.292 2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.938 9.039 4.150 1.00 0.00 H new ATOM 360 N LEU A 24 -4.067 6.928 0.015 1.00 0.00 N ATOM 361 CA LEU A 24 -5.283 6.150 -0.198 1.00 0.00 C ATOM 362 C LEU A 24 -5.109 5.195 -1.375 1.00 0.00 C ATOM 363 O LEU A 24 -5.434 4.011 -1.280 1.00 0.00 O ATOM 364 CB LEU A 24 -6.461 7.086 -0.468 1.00 0.00 C ATOM 365 CG LEU A 24 -7.675 6.627 0.341 1.00 0.00 C ATOM 366 CD1 LEU A 24 -7.490 7.021 1.808 1.00 0.00 C ATOM 367 CD2 LEU A 24 -8.936 7.295 -0.210 1.00 0.00 C ATOM 0 H LEU A 24 -4.199 7.939 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.481 5.567 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.196 8.108 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.700 7.089 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.773 5.544 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.355 6.694 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.591 6.546 2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.392 8.104 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.802 6.969 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.837 8.378 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.069 7.015 -1.255 1.00 0.00 H new ATOM 379 N VAL A 25 -4.593 5.717 -2.483 1.00 0.00 N ATOM 380 CA VAL A 25 -4.377 4.899 -3.672 1.00 0.00 C ATOM 381 C VAL A 25 -3.396 3.771 -3.374 1.00 0.00 C ATOM 382 O VAL A 25 -3.550 2.656 -3.870 1.00 0.00 O ATOM 383 CB VAL A 25 -3.832 5.767 -4.808 1.00 0.00 C ATOM 384 CG1 VAL A 25 -3.681 4.916 -6.071 1.00 0.00 C ATOM 385 CG2 VAL A 25 -4.805 6.916 -5.082 1.00 0.00 C ATOM 0 H VAL A 25 -4.319 6.694 -2.583 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.331 4.465 -3.972 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.861 6.172 -4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.293 5.533 -6.881 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.990 4.096 -5.877 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.653 4.512 -6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.418 7.535 -5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.776 6.511 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.915 7.522 -4.182 1.00 0.00 H new ATOM 395 N VAL A 26 -2.387 4.070 -2.561 1.00 0.00 N ATOM 396 CA VAL A 26 -1.389 3.071 -2.202 1.00 0.00 C ATOM 397 C VAL A 26 -2.025 1.943 -1.396 1.00 0.00 C ATOM 398 O VAL A 26 -1.687 0.772 -1.572 1.00 0.00 O ATOM 399 CB VAL A 26 -0.273 3.718 -1.382 1.00 0.00 C ATOM 400 CG1 VAL A 26 0.705 2.642 -0.905 1.00 0.00 C ATOM 401 CG2 VAL A 26 0.472 4.734 -2.249 1.00 0.00 C ATOM 0 H VAL A 26 -2.240 4.988 -2.142 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.972 2.657 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.705 4.222 -0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.500 3.106 -0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.175 1.917 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.138 2.135 -1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.268 5.196 -1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.902 4.228 -3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.223 5.503 -2.587 1.00 0.00 H new ATOM 411 N ILE A 27 -2.949 2.302 -0.510 1.00 0.00 N ATOM 412 CA ILE A 27 -3.632 1.311 0.313 1.00 0.00 C ATOM 413 C ILE A 27 -4.458 0.369 -0.558 1.00 0.00 C ATOM 414 O ILE A 27 -4.386 -0.851 -0.411 1.00 0.00 O ATOM 415 CB ILE A 27 -4.546 2.009 1.320 1.00 0.00 C ATOM 416 CG1 ILE A 27 -3.692 2.720 2.372 1.00 0.00 C ATOM 417 CG2 ILE A 27 -5.438 0.972 2.006 1.00 0.00 C ATOM 418 CD1 ILE A 27 -4.583 3.632 3.221 1.00 0.00 C ATOM 0 H ILE A 27 -3.240 3.265 -0.344 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.880 0.730 0.847 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.169 2.737 0.801 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.193 1.988 3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.911 3.306 1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.089 1.470 2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.045 0.462 1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.816 0.243 2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.975 4.139 3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.061 4.373 2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.347 3.034 3.717 1.00 0.00 H new ATOM 430 N LEU A 28 -5.240 0.943 -1.466 1.00 0.00 N ATOM 431 CA LEU A 28 -6.078 0.144 -2.354 1.00 0.00 C ATOM 432 C LEU A 28 -5.229 -0.855 -3.134 1.00 0.00 C ATOM 433 O LEU A 28 -5.607 -2.016 -3.290 1.00 0.00 O ATOM 434 CB LEU A 28 -6.822 1.057 -3.330 1.00 0.00 C ATOM 435 CG LEU A 28 -8.330 0.896 -3.130 1.00 0.00 C ATOM 436 CD1 LEU A 28 -9.073 1.878 -4.037 1.00 0.00 C ATOM 437 CD2 LEU A 28 -8.740 -0.535 -3.485 1.00 0.00 C ATOM 0 H LEU A 28 -5.311 1.951 -1.606 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.800 -0.404 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.532 2.095 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.552 0.808 -4.356 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.583 1.100 -2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.148 1.763 -3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.781 2.898 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.821 1.674 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.814 -0.651 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.487 -0.738 -4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.211 -1.236 -2.840 1.00 0.00 H new ATOM 449 N VAL A 29 -4.082 -0.396 -3.622 1.00 0.00 N ATOM 450 CA VAL A 29 -3.187 -1.259 -4.385 1.00 0.00 C ATOM 451 C VAL A 29 -2.667 -2.397 -3.513 1.00 0.00 C ATOM 452 O VAL A 29 -2.644 -3.554 -3.934 1.00 0.00 O ATOM 453 CB VAL A 29 -2.009 -0.445 -4.923 1.00 0.00 C ATOM 454 CG1 VAL A 29 -0.914 -1.394 -5.414 1.00 0.00 C ATOM 455 CG2 VAL A 29 -2.483 0.429 -6.085 1.00 0.00 C ATOM 0 H VAL A 29 -3.751 0.562 -3.504 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.746 -1.683 -5.219 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.612 0.188 -4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.075 -0.814 -5.797 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.576 -2.018 -4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.310 -2.027 -6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.644 1.010 -6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.880 -0.204 -6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.263 1.106 -5.737 1.00 0.00 H new ATOM 465 N LEU A 30 -2.251 -2.062 -2.297 1.00 0.00 N ATOM 466 CA LEU A 30 -1.732 -3.064 -1.374 1.00 0.00 C ATOM 467 C LEU A 30 -2.828 -4.047 -0.977 1.00 0.00 C ATOM 468 O LEU A 30 -2.578 -5.241 -0.817 1.00 0.00 O ATOM 469 CB LEU A 30 -1.177 -2.382 -0.121 1.00 0.00 C ATOM 470 CG LEU A 30 -0.306 -3.372 0.655 1.00 0.00 C ATOM 471 CD1 LEU A 30 1.129 -3.310 0.133 1.00 0.00 C ATOM 472 CD2 LEU A 30 -0.324 -3.008 2.141 1.00 0.00 C ATOM 0 H LEU A 30 -2.263 -1.111 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.933 -3.612 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.591 -1.506 -0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.995 -2.031 0.508 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.696 -4.381 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.748 -4.016 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.142 -3.568 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.521 -2.302 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.296 -3.712 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.066 -1.999 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.347 -3.053 2.514 1.00 0.00 H new ATOM 484 N LEU A 31 -4.046 -3.535 -0.820 1.00 0.00 N ATOM 485 CA LEU A 31 -5.174 -4.377 -0.442 1.00 0.00 C ATOM 486 C LEU A 31 -5.398 -5.471 -1.482 1.00 0.00 C ATOM 487 O LEU A 31 -5.619 -6.632 -1.139 1.00 0.00 O ATOM 488 CB LEU A 31 -6.440 -3.528 -0.313 1.00 0.00 C ATOM 489 CG LEU A 31 -7.507 -4.313 0.451 1.00 0.00 C ATOM 490 CD1 LEU A 31 -7.490 -3.899 1.924 1.00 0.00 C ATOM 491 CD2 LEU A 31 -8.884 -4.014 -0.145 1.00 0.00 C ATOM 0 H LEU A 31 -4.275 -2.549 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.949 -4.843 0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.215 -2.598 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.811 -3.257 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.299 -5.380 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.251 -4.459 2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.509 -4.111 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.698 -2.832 2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.645 -4.573 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.091 -2.947 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.898 -4.309 -1.194 1.00 0.00 H new ATOM 503 N THR A 32 -5.338 -5.092 -2.755 1.00 0.00 N ATOM 504 CA THR A 32 -5.535 -6.050 -3.837 1.00 0.00 C ATOM 505 C THR A 32 -4.392 -7.059 -3.872 1.00 0.00 C ATOM 506 O THR A 32 -4.603 -8.239 -4.154 1.00 0.00 O ATOM 507 CB THR A 32 -5.613 -5.315 -5.177 1.00 0.00 C ATOM 508 OG1 THR A 32 -5.076 -4.008 -5.030 1.00 0.00 O ATOM 509 CG2 THR A 32 -7.070 -5.222 -5.628 1.00 0.00 C ATOM 0 H THR A 32 -5.156 -4.136 -3.061 1.00 0.00 H new ATOM 0 HA THR A 32 -6.469 -6.583 -3.661 1.00 0.00 H new ATOM 0 HB THR A 32 -5.039 -5.862 -5.925 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.155 -4.068 -4.702 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.123 -4.698 -6.582 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.480 -6.225 -5.742 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.648 -4.676 -4.882 1.00 0.00 H new ATOM 517 N VAL A 33 -3.184 -6.588 -3.586 1.00 0.00 N ATOM 518 CA VAL A 33 -2.015 -7.459 -3.584 1.00 0.00 C ATOM 519 C VAL A 33 -2.170 -8.562 -2.542 1.00 0.00 C ATOM 520 O VAL A 33 -1.908 -9.733 -2.819 1.00 0.00 O ATOM 521 CB VAL A 33 -0.756 -6.645 -3.283 1.00 0.00 C ATOM 522 CG1 VAL A 33 0.458 -7.575 -3.249 1.00 0.00 C ATOM 523 CG2 VAL A 33 -0.559 -5.591 -4.374 1.00 0.00 C ATOM 0 H VAL A 33 -2.989 -5.614 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.925 -7.915 -4.570 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.864 -6.154 -2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.355 -6.994 -3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.318 -8.327 -2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.567 -8.067 -4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.338 -5.010 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.451 -6.083 -5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.423 -4.928 -4.399 1.00 0.00 H new ATOM 533 N LEU A 34 -2.600 -8.181 -1.343 1.00 0.00 N ATOM 534 CA LEU A 34 -2.795 -9.148 -0.271 1.00 0.00 C ATOM 535 C LEU A 34 -3.924 -10.113 -0.617 1.00 0.00 C ATOM 536 O LEU A 34 -3.899 -11.281 -0.226 1.00 0.00 O ATOM 537 CB LEU A 34 -3.127 -8.420 1.034 1.00 0.00 C ATOM 538 CG LEU A 34 -1.851 -7.809 1.615 1.00 0.00 C ATOM 539 CD1 LEU A 34 -2.204 -6.549 2.408 1.00 0.00 C ATOM 540 CD2 LEU A 34 -1.177 -8.821 2.545 1.00 0.00 C ATOM 0 H LEU A 34 -2.818 -7.217 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.873 -9.715 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.866 -7.640 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.568 -9.115 1.748 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.171 -7.551 0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.295 -6.113 2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.685 -5.827 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.884 -6.808 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.268 -8.385 2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.858 -9.079 3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.925 -9.720 1.983 1.00 0.00 H new ATOM 552 N ALA A 35 -4.914 -9.618 -1.353 1.00 0.00 N ATOM 553 CA ALA A 35 -6.050 -10.446 -1.742 1.00 0.00 C ATOM 554 C ALA A 35 -5.611 -11.533 -2.718 1.00 0.00 C ATOM 555 O ALA A 35 -6.023 -12.689 -2.601 1.00 0.00 O ATOM 556 CB ALA A 35 -7.128 -9.578 -2.394 1.00 0.00 C ATOM 0 H ALA A 35 -4.953 -8.656 -1.690 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.455 -10.919 -0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.973 -10.203 -2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.462 -8.820 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.718 -9.092 -3.279 1.00 0.00 H new ATOM 562 N LEU A 36 -4.774 -11.157 -3.678 1.00 0.00 N ATOM 563 CA LEU A 36 -4.288 -12.109 -4.671 1.00 0.00 C ATOM 564 C LEU A 36 -3.403 -13.163 -4.016 1.00 0.00 C ATOM 565 O LEU A 36 -3.430 -14.334 -4.396 1.00 0.00 O ATOM 566 CB LEU A 36 -3.495 -11.375 -5.755 1.00 0.00 C ATOM 567 CG LEU A 36 -3.238 -12.320 -6.928 1.00 0.00 C ATOM 568 CD1 LEU A 36 -4.134 -11.931 -8.104 1.00 0.00 C ATOM 569 CD2 LEU A 36 -1.771 -12.219 -7.351 1.00 0.00 C ATOM 0 H LEU A 36 -4.420 -10.207 -3.790 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.148 -12.604 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.048 -10.499 -6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.549 -11.017 -5.349 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.461 -13.343 -6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.950 -12.606 -8.940 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.179 -12.002 -7.804 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.912 -10.908 -8.408 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.586 -12.893 -8.188 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.549 -11.196 -7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.131 -12.497 -6.514 1.00 0.00 H new ATOM 581 N LEU A 37 -2.620 -12.741 -3.029 1.00 0.00 N ATOM 582 CA LEU A 37 -1.725 -13.656 -2.331 1.00 0.00 C ATOM 583 C LEU A 37 -2.519 -14.766 -1.649 1.00 0.00 C ATOM 584 O LEU A 37 -2.145 -15.938 -1.712 1.00 0.00 O ATOM 585 CB LEU A 37 -0.909 -12.894 -1.285 1.00 0.00 C ATOM 586 CG LEU A 37 0.278 -13.751 -0.841 1.00 0.00 C ATOM 587 CD1 LEU A 37 1.511 -13.385 -1.669 1.00 0.00 C ATOM 588 CD2 LEU A 37 0.566 -13.491 0.639 1.00 0.00 C ATOM 0 H LEU A 37 -2.587 -11.777 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.051 -14.102 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.555 -11.951 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.535 -12.649 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 37 0.041 -14.805 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.356 -13.996 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.307 -13.566 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.749 -12.332 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.411 -14.101 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.804 -12.437 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.312 -13.750 1.231 1.00 0.00 H new ATOM 600 N SER A 38 -3.615 -14.391 -1.001 1.00 0.00 N ATOM 601 CA SER A 38 -4.453 -15.363 -0.308 1.00 0.00 C ATOM 602 C SER A 38 -5.149 -16.279 -1.311 1.00 0.00 C ATOM 603 O SER A 38 -5.208 -17.493 -1.116 1.00 0.00 O ATOM 604 CB SER A 38 -5.501 -14.639 0.538 1.00 0.00 C ATOM 605 OG SER A 38 -4.918 -14.251 1.775 1.00 0.00 O ATOM 0 H SER A 38 -3.943 -13.427 -0.941 1.00 0.00 H new ATOM 0 HA SER A 38 -3.818 -15.967 0.340 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.872 -13.763 0.007 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.357 -15.291 0.714 1.00 0.00 H new ATOM 0 HG SER A 38 -5.586 -13.785 2.320 1.00 0.00 H new ATOM 611 N HIS A 39 -5.674 -15.689 -2.378 1.00 0.00 N ATOM 612 CA HIS A 39 -6.362 -16.463 -3.406 1.00 0.00 C ATOM 613 C HIS A 39 -5.462 -17.580 -3.927 1.00 0.00 C ATOM 614 O HIS A 39 -5.897 -18.721 -4.081 1.00 0.00 O ATOM 615 CB HIS A 39 -6.768 -15.550 -4.564 1.00 0.00 C ATOM 616 CG HIS A 39 -8.003 -14.782 -4.187 1.00 0.00 C ATOM 617 ND1 HIS A 39 -8.516 -14.791 -2.900 1.00 0.00 N ATOM 618 CD2 HIS A 39 -8.840 -13.975 -4.918 1.00 0.00 C ATOM 619 CE1 HIS A 39 -9.614 -14.014 -2.893 1.00 0.00 C ATOM 620 NE2 HIS A 39 -9.856 -13.491 -4.098 1.00 0.00 N ATOM 0 H HIS A 39 -5.638 -14.685 -2.554 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.254 -16.906 -2.964 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.957 -14.862 -4.800 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.954 -16.142 -5.460 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.727 -13.750 -5.968 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.225 -13.835 -2.020 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.621 -12.870 -4.361 1.00 0.00 H new ATOM 628 N ARG A 40 -4.204 -17.244 -4.196 1.00 0.00 N ATOM 629 CA ARG A 40 -3.252 -18.226 -4.700 1.00 0.00 C ATOM 630 C ARG A 40 -2.967 -19.287 -3.641 1.00 0.00 C ATOM 631 O ARG A 40 -2.968 -20.484 -3.933 1.00 0.00 O ATOM 632 CB ARG A 40 -1.946 -17.534 -5.093 1.00 0.00 C ATOM 633 CG ARG A 40 -1.289 -18.297 -6.244 1.00 0.00 C ATOM 634 CD ARG A 40 0.053 -17.650 -6.588 1.00 0.00 C ATOM 635 NE ARG A 40 1.003 -17.846 -5.500 1.00 0.00 N ATOM 636 CZ ARG A 40 2.224 -17.323 -5.551 1.00 0.00 C ATOM 637 NH1 ARG A 40 2.590 -16.620 -6.588 1.00 0.00 N ATOM 638 NH2 ARG A 40 3.057 -17.514 -4.564 1.00 0.00 N ATOM 0 H ARG A 40 -3.823 -16.306 -4.074 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.686 -18.708 -5.576 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.143 -16.504 -5.391 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.272 -17.494 -4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.140 -19.340 -5.964 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.942 -18.291 -7.117 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.448 -18.083 -7.507 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.086 -16.584 -6.771 1.00 0.00 H new ATOM 0 HE ARG A 40 0.726 -18.394 -4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.939 -16.472 -7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.527 -16.219 -6.627 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.771 -18.064 -3.754 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.994 -17.113 -4.603 1.00 0.00 H new ATOM 652 N ARG A 41 -2.726 -18.842 -2.413 1.00 0.00 N ATOM 653 CA ARG A 41 -2.443 -19.764 -1.319 1.00 0.00 C ATOM 654 C ARG A 41 -3.566 -20.785 -1.174 1.00 0.00 C ATOM 655 O ARG A 41 -3.315 -21.976 -0.996 1.00 0.00 O ATOM 656 CB ARG A 41 -2.285 -18.987 -0.010 1.00 0.00 C ATOM 657 CG ARG A 41 -0.830 -19.064 0.457 1.00 0.00 C ATOM 658 CD ARG A 41 -0.660 -18.243 1.736 1.00 0.00 C ATOM 659 NE ARG A 41 0.058 -19.019 2.742 1.00 0.00 N ATOM 660 CZ ARG A 41 1.276 -19.495 2.502 1.00 0.00 C ATOM 661 NH1 ARG A 41 1.848 -19.272 1.351 1.00 0.00 N ATOM 662 NH2 ARG A 41 1.898 -20.185 3.418 1.00 0.00 N ATOM 0 H ARG A 41 -2.721 -17.856 -2.151 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.516 -20.291 -1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.577 -17.947 -0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.945 -19.400 0.753 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.550 -20.102 0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.167 -18.686 -0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.115 -17.325 1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.637 -17.950 2.121 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.382 -19.199 3.644 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.361 -18.733 0.635 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.782 -19.637 1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.450 -20.359 4.318 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.832 -20.550 3.235 1.00 0.00 H new ATOM 676 N ALA A 42 -4.805 -20.309 -1.253 1.00 0.00 N ATOM 677 CA ALA A 42 -5.960 -21.192 -1.132 1.00 0.00 C ATOM 678 C ALA A 42 -5.950 -22.245 -2.236 1.00 0.00 C ATOM 679 O ALA A 42 -6.220 -23.420 -1.989 1.00 0.00 O ATOM 680 CB ALA A 42 -7.251 -20.376 -1.215 1.00 0.00 C ATOM 0 H ALA A 42 -5.034 -19.326 -1.399 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.909 -21.695 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.109 -21.042 -1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.272 -19.645 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.293 -19.859 -2.173 1.00 0.00 H new ATOM 686 N LEU A 43 -5.635 -21.814 -3.453 1.00 0.00 N ATOM 687 CA LEU A 43 -5.591 -22.729 -4.588 1.00 0.00 C ATOM 688 C LEU A 43 -4.511 -23.786 -4.383 1.00 0.00 C ATOM 689 O LEU A 43 -4.721 -24.967 -4.662 1.00 0.00 O ATOM 690 CB LEU A 43 -5.309 -21.953 -5.876 1.00 0.00 C ATOM 691 CG LEU A 43 -6.589 -21.859 -6.706 1.00 0.00 C ATOM 692 CD1 LEU A 43 -6.393 -20.850 -7.839 1.00 0.00 C ATOM 693 CD2 LEU A 43 -6.913 -23.232 -7.299 1.00 0.00 C ATOM 0 H LEU A 43 -5.408 -20.845 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.559 -23.224 -4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.943 -20.954 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.527 -22.451 -6.449 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.411 -21.533 -6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.307 -20.784 -8.430 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.161 -19.871 -7.419 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.571 -21.174 -8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.826 -23.166 -7.891 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.090 -23.557 -7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.054 -23.952 -6.493 1.00 0.00 H new ATOM 705 N LYS A 44 -3.352 -23.354 -3.894 1.00 0.00 N ATOM 706 CA LYS A 44 -2.245 -24.272 -3.653 1.00 0.00 C ATOM 707 C LYS A 44 -2.664 -25.377 -2.689 1.00 0.00 C ATOM 708 O LYS A 44 -2.362 -26.551 -2.904 1.00 0.00 O ATOM 709 CB LYS A 44 -1.051 -23.511 -3.073 1.00 0.00 C ATOM 710 CG LYS A 44 0.194 -23.798 -3.913 1.00 0.00 C ATOM 711 CD LYS A 44 1.401 -23.085 -3.298 1.00 0.00 C ATOM 712 CE LYS A 44 2.687 -23.793 -3.727 1.00 0.00 C ATOM 713 NZ LYS A 44 2.884 -25.013 -2.894 1.00 0.00 N ATOM 0 H LYS A 44 -3.156 -22.381 -3.659 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.960 -24.724 -4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.258 -22.441 -3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.882 -23.812 -2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.376 -24.872 -3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.041 -23.458 -4.937 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.423 -22.043 -3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.320 -23.083 -2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.631 -24.065 -4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.539 -23.122 -3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.879 -25.073 -2.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.273 -24.962 -2.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.638 -25.857 -3.450 1.00 0.00 H new ATOM 727 N GLN A 45 -3.363 -24.993 -1.625 1.00 0.00 N ATOM 728 CA GLN A 45 -3.821 -25.961 -0.634 1.00 0.00 C ATOM 729 C GLN A 45 -4.798 -26.949 -1.264 1.00 0.00 C ATOM 730 O GLN A 45 -4.727 -28.152 -1.011 1.00 0.00 O ATOM 731 CB GLN A 45 -4.503 -25.235 0.527 1.00 0.00 C ATOM 732 CG GLN A 45 -3.453 -24.828 1.562 1.00 0.00 C ATOM 733 CD GLN A 45 -3.237 -25.963 2.559 1.00 0.00 C ATOM 734 OE1 GLN A 45 -4.120 -26.261 3.362 1.00 0.00 O ATOM 735 NE2 GLN A 45 -2.107 -26.616 2.554 1.00 0.00 N ATOM 0 H GLN A 45 -3.623 -24.027 -1.428 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.956 -26.510 -0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -5.028 -24.353 0.160 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.250 -25.883 0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.514 -24.586 1.064 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.776 -23.929 2.086 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.377 -26.367 1.887 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.954 -27.376 3.217 1.00 0.00 H new ATOM 744 N LYS A 46 -5.708 -26.433 -2.083 1.00 0.00 N ATOM 745 CA LYS A 46 -6.694 -27.282 -2.744 1.00 0.00 C ATOM 746 C LYS A 46 -6.010 -28.247 -3.707 1.00 0.00 C ATOM 747 O LYS A 46 -6.430 -29.396 -3.850 1.00 0.00 O ATOM 748 CB LYS A 46 -7.696 -26.416 -3.511 1.00 0.00 C ATOM 749 CG LYS A 46 -9.017 -27.172 -3.657 1.00 0.00 C ATOM 750 CD LYS A 46 -10.017 -26.310 -4.430 1.00 0.00 C ATOM 751 CE LYS A 46 -10.530 -27.089 -5.644 1.00 0.00 C ATOM 752 NZ LYS A 46 -11.636 -26.328 -6.291 1.00 0.00 N ATOM 0 H LYS A 46 -5.784 -25.440 -2.304 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.220 -27.859 -1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.859 -25.476 -2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.298 -26.165 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.853 -28.114 -4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.417 -27.419 -2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.850 -26.032 -3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.542 -25.384 -4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.720 -27.250 -6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.883 -28.073 -5.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.985 -26.857 -7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.411 -26.197 -5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.284 -25.399 -6.599 1.00 0.00 H new ATOM 766 N ILE A 47 -4.957 -27.774 -4.364 1.00 0.00 N ATOM 767 CA ILE A 47 -4.222 -28.606 -5.311 1.00 0.00 C ATOM 768 C ILE A 47 -3.233 -29.505 -4.579 1.00 0.00 C ATOM 769 O ILE A 47 -2.717 -30.467 -5.148 1.00 0.00 O ATOM 770 CB ILE A 47 -3.471 -27.721 -6.308 1.00 0.00 C ATOM 771 CG1 ILE A 47 -4.474 -26.861 -7.081 1.00 0.00 C ATOM 772 CG2 ILE A 47 -2.696 -28.604 -7.289 1.00 0.00 C ATOM 773 CD1 ILE A 47 -3.737 -25.707 -7.763 1.00 0.00 C ATOM 0 H ILE A 47 -4.595 -26.826 -4.260 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.935 -29.232 -5.847 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.776 -27.076 -5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.991 -27.467 -7.825 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.234 -26.472 -6.403 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.160 -27.975 -8.000 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.983 -29.219 -6.740 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.392 -29.248 -7.827 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.451 -25.094 -8.314 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.240 -25.096 -7.009 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.994 -26.107 -8.453 1.00 0.00 H new ATOM 785 N TRP A 48 -2.973 -29.186 -3.316 1.00 0.00 N ATOM 786 CA TRP A 48 -2.042 -29.974 -2.515 1.00 0.00 C ATOM 787 C TRP A 48 -2.173 -29.618 -1.037 1.00 0.00 C ATOM 788 O TRP A 48 -1.338 -28.902 -0.483 1.00 0.00 O ATOM 789 CB TRP A 48 -0.608 -29.717 -2.979 1.00 0.00 C ATOM 790 CG TRP A 48 0.328 -30.595 -2.212 1.00 0.00 C ATOM 791 CD1 TRP A 48 0.318 -31.947 -2.232 1.00 0.00 C ATOM 792 CD2 TRP A 48 1.409 -30.207 -1.315 1.00 0.00 C ATOM 793 NE1 TRP A 48 1.322 -32.415 -1.404 1.00 0.00 N ATOM 794 CE2 TRP A 48 2.024 -31.380 -0.817 1.00 0.00 C ATOM 795 CE3 TRP A 48 1.912 -28.964 -0.889 1.00 0.00 C ATOM 796 CZ2 TRP A 48 3.098 -31.322 0.071 1.00 0.00 C ATOM 797 CZ3 TRP A 48 2.993 -28.902 0.005 1.00 0.00 C ATOM 798 CH2 TRP A 48 3.585 -30.079 0.485 1.00 0.00 C ATOM 0 H TRP A 48 -3.390 -28.394 -2.827 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.282 -31.029 -2.645 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.518 -29.917 -4.047 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.348 -28.669 -2.828 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.363 -32.561 -2.802 1.00 0.00 H new ATOM 0 HE1 TRP A 48 1.520 -33.403 -1.246 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.464 -28.051 -1.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.551 -32.232 0.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 3.371 -27.942 0.325 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.416 -30.025 1.173 1.00 0.00 H new ATOM 809 N PRO A 49 -3.202 -30.104 -0.399 1.00 0.00 N ATOM 810 CA PRO A 49 -3.456 -29.839 1.045 1.00 0.00 C ATOM 811 C PRO A 49 -2.227 -30.119 1.907 1.00 0.00 C ATOM 812 O PRO A 49 -1.815 -29.224 2.626 1.00 0.00 O ATOM 813 CB PRO A 49 -4.597 -30.795 1.395 1.00 0.00 C ATOM 814 CG PRO A 49 -5.293 -31.074 0.103 1.00 0.00 C ATOM 815 CD PRO A 49 -4.237 -30.964 -0.991 1.00 0.00 C ATOM 816 OXT PRO A 49 -1.718 -31.226 1.834 1.00 0.00 O ATOM 0 HA PRO A 49 -3.699 -28.793 1.231 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.217 -31.713 1.842 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.277 -30.346 2.119 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.741 -32.067 0.111 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.100 -30.361 -0.064 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.838 -31.942 -1.260 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.648 -30.526 -1.900 1.00 0.00 H new TER 824 PRO A 49