USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 37 SER OG : rot 177:sc= 1.09 USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 52 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 8 CYS SG : rot 154:sc= -3.7! USER MOD Set 2.2: A 35 TYR OH : rot 137:sc= -1.98! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.0274 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -46:sc= 0.816 USER MOD Single : A 28 CYS SG : rot 180:sc= -0.112 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -3.74 K(o=-3.7,f=-4.6!) USER MOD Single : A 45 SER OG : rot 116:sc= -1.29 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -47:sc= -5.78! USER MOD Single : A 57 CYS SG : rot 8:sc= 0.187 USER MOD Single : A 60 THR OG1 : rot 74:sc= 0.495 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 70 CYS SG : rot 23:sc= 0.316 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -160:sc=-0.000676 (180deg=-0.121) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 54.453 -4.041 -14.679 1.00 0.00 N ATOM 2 CA MET A 1 55.892 -3.737 -14.919 1.00 0.00 C ATOM 3 C MET A 1 56.059 -2.236 -15.159 1.00 0.00 C ATOM 4 O MET A 1 55.198 -1.587 -15.718 1.00 0.00 O ATOM 5 CB MET A 1 56.380 -4.505 -16.149 1.00 0.00 C ATOM 6 CG MET A 1 57.200 -5.717 -15.702 1.00 0.00 C ATOM 7 SD MET A 1 56.336 -7.237 -16.172 1.00 0.00 S ATOM 8 CE MET A 1 56.493 -8.087 -14.582 1.00 0.00 C ATOM 0 H1 MET A 1 54.234 -4.991 -15.041 1.00 0.00 H new ATOM 0 H2 MET A 1 54.256 -4.006 -13.658 1.00 0.00 H new ATOM 0 H3 MET A 1 53.863 -3.339 -15.170 1.00 0.00 H new ATOM 0 HA MET A 1 56.477 -4.037 -14.049 1.00 0.00 H new ATOM 0 HB2 MET A 1 55.530 -4.829 -16.749 1.00 0.00 H new ATOM 0 HB3 MET A 1 56.986 -3.855 -16.780 1.00 0.00 H new ATOM 0 HG2 MET A 1 58.188 -5.691 -16.162 1.00 0.00 H new ATOM 0 HG3 MET A 1 57.350 -5.690 -14.623 1.00 0.00 H new ATOM 0 HE1 MET A 1 56.019 -9.067 -14.645 1.00 0.00 H new ATOM 0 HE2 MET A 1 57.548 -8.209 -14.337 1.00 0.00 H new ATOM 0 HE3 MET A 1 56.006 -7.498 -13.805 1.00 0.00 H new ATOM 18 N ALA A 2 57.162 -1.678 -14.739 1.00 0.00 N ATOM 19 CA ALA A 2 57.380 -0.219 -14.943 1.00 0.00 C ATOM 20 C ALA A 2 56.170 0.552 -14.414 1.00 0.00 C ATOM 21 O ALA A 2 55.715 1.503 -15.018 1.00 0.00 O ATOM 22 CB ALA A 2 57.557 0.067 -16.435 1.00 0.00 C ATOM 0 H ALA A 2 57.920 -2.169 -14.264 1.00 0.00 H new ATOM 0 HA ALA A 2 58.275 0.095 -14.406 1.00 0.00 H new ATOM 0 HB1 ALA A 2 57.717 1.135 -16.584 1.00 0.00 H new ATOM 0 HB2 ALA A 2 58.418 -0.485 -16.812 1.00 0.00 H new ATOM 0 HB3 ALA A 2 56.662 -0.245 -16.974 1.00 0.00 H new ATOM 28 N GLU A 3 55.645 0.148 -13.290 1.00 0.00 N ATOM 29 CA GLU A 3 54.464 0.856 -12.721 1.00 0.00 C ATOM 30 C GLU A 3 54.928 2.127 -12.009 1.00 0.00 C ATOM 31 O GLU A 3 54.521 3.222 -12.344 1.00 0.00 O ATOM 32 CB GLU A 3 53.757 -0.060 -11.719 1.00 0.00 C ATOM 33 CG GLU A 3 52.591 0.691 -11.074 1.00 0.00 C ATOM 34 CD GLU A 3 51.293 -0.085 -11.307 1.00 0.00 C ATOM 35 OE1 GLU A 3 50.934 -0.267 -12.458 1.00 0.00 O ATOM 36 OE2 GLU A 3 50.681 -0.483 -10.329 1.00 0.00 O ATOM 0 H GLU A 3 55.983 -0.642 -12.741 1.00 0.00 H new ATOM 0 HA GLU A 3 53.775 1.119 -13.523 1.00 0.00 H new ATOM 0 HB2 GLU A 3 53.392 -0.955 -12.223 1.00 0.00 H new ATOM 0 HB3 GLU A 3 54.459 -0.389 -10.953 1.00 0.00 H new ATOM 0 HG2 GLU A 3 52.769 0.811 -10.005 1.00 0.00 H new ATOM 0 HG3 GLU A 3 52.510 1.692 -11.498 1.00 0.00 H new ATOM 43 N ASP A 4 55.780 1.991 -11.030 1.00 0.00 N ATOM 44 CA ASP A 4 56.271 3.192 -10.299 1.00 0.00 C ATOM 45 C ASP A 4 57.649 2.897 -9.703 1.00 0.00 C ATOM 46 O ASP A 4 58.047 3.482 -8.716 1.00 0.00 O ATOM 47 CB ASP A 4 55.292 3.543 -9.177 1.00 0.00 C ATOM 48 CG ASP A 4 54.303 4.598 -9.675 1.00 0.00 C ATOM 49 OD1 ASP A 4 54.753 5.655 -10.085 1.00 0.00 O ATOM 50 OD2 ASP A 4 53.113 4.330 -9.639 1.00 0.00 O ATOM 0 H ASP A 4 56.157 1.100 -10.705 1.00 0.00 H new ATOM 0 HA ASP A 4 56.346 4.032 -10.989 1.00 0.00 H new ATOM 0 HB2 ASP A 4 54.756 2.650 -8.855 1.00 0.00 H new ATOM 0 HB3 ASP A 4 55.835 3.919 -8.310 1.00 0.00 H new ATOM 55 N TRP A 5 58.380 1.995 -10.297 1.00 0.00 N ATOM 56 CA TRP A 5 59.733 1.666 -9.765 1.00 0.00 C ATOM 57 C TRP A 5 60.645 2.885 -9.912 1.00 0.00 C ATOM 58 O TRP A 5 61.277 3.079 -10.932 1.00 0.00 O ATOM 59 CB TRP A 5 60.321 0.492 -10.553 1.00 0.00 C ATOM 60 CG TRP A 5 59.342 -0.639 -10.573 1.00 0.00 C ATOM 61 CD1 TRP A 5 58.591 -0.999 -11.639 1.00 0.00 C ATOM 62 CD2 TRP A 5 58.997 -1.561 -9.499 1.00 0.00 C ATOM 63 NE1 TRP A 5 57.807 -2.083 -11.288 1.00 0.00 N ATOM 64 CE2 TRP A 5 58.022 -2.467 -9.979 1.00 0.00 C ATOM 65 CE3 TRP A 5 59.431 -1.697 -8.168 1.00 0.00 C ATOM 66 CZ2 TRP A 5 57.497 -3.473 -9.169 1.00 0.00 C ATOM 67 CZ3 TRP A 5 58.904 -2.709 -7.350 1.00 0.00 C ATOM 68 CH2 TRP A 5 57.939 -3.595 -7.849 1.00 0.00 C ATOM 0 H TRP A 5 58.100 1.472 -11.127 1.00 0.00 H new ATOM 0 HA TRP A 5 59.654 1.393 -8.713 1.00 0.00 H new ATOM 0 HB2 TRP A 5 60.553 0.804 -11.571 1.00 0.00 H new ATOM 0 HB3 TRP A 5 61.257 0.168 -10.098 1.00 0.00 H new ATOM 0 HD1 TRP A 5 58.602 -0.518 -12.606 1.00 0.00 H new ATOM 0 HE1 TRP A 5 57.150 -2.543 -11.919 1.00 0.00 H new ATOM 0 HE3 TRP A 5 60.174 -1.019 -7.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 56.754 -4.153 -9.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 59.244 -2.806 -6.330 1.00 0.00 H new ATOM 0 HH2 TRP A 5 57.538 -4.371 -7.214 1.00 0.00 H new ATOM 79 N LEU A 6 60.718 3.712 -8.905 1.00 0.00 N ATOM 80 CA LEU A 6 61.588 4.919 -8.995 1.00 0.00 C ATOM 81 C LEU A 6 62.793 4.754 -8.068 1.00 0.00 C ATOM 82 O LEU A 6 62.733 4.056 -7.075 1.00 0.00 O ATOM 83 CB LEU A 6 60.792 6.156 -8.575 1.00 0.00 C ATOM 84 CG LEU A 6 59.754 6.486 -9.647 1.00 0.00 C ATOM 85 CD1 LEU A 6 58.982 7.743 -9.241 1.00 0.00 C ATOM 86 CD2 LEU A 6 60.462 6.732 -10.981 1.00 0.00 C ATOM 0 H LEU A 6 60.214 3.604 -8.025 1.00 0.00 H new ATOM 0 HA LEU A 6 61.933 5.038 -10.022 1.00 0.00 H new ATOM 0 HB2 LEU A 6 60.299 5.976 -7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 6 61.464 7.002 -8.432 1.00 0.00 H new ATOM 0 HG LEU A 6 59.060 5.652 -9.750 1.00 0.00 H new ATOM 0 HD11 LEU A 6 58.242 7.978 -10.006 1.00 0.00 H new ATOM 0 HD12 LEU A 6 58.479 7.570 -8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 6 59.675 8.578 -9.138 1.00 0.00 H new ATOM 0 HD21 LEU A 6 59.723 6.968 -11.747 1.00 0.00 H new ATOM 0 HD22 LEU A 6 61.155 7.567 -10.877 1.00 0.00 H new ATOM 0 HD23 LEU A 6 61.013 5.837 -11.271 1.00 0.00 H new ATOM 98 N ASP A 7 63.886 5.395 -8.380 1.00 0.00 N ATOM 99 CA ASP A 7 65.090 5.276 -7.511 1.00 0.00 C ATOM 100 C ASP A 7 64.668 5.430 -6.049 1.00 0.00 C ATOM 101 O ASP A 7 63.824 6.239 -5.719 1.00 0.00 O ATOM 102 CB ASP A 7 66.094 6.372 -7.875 1.00 0.00 C ATOM 103 CG ASP A 7 67.281 6.316 -6.912 1.00 0.00 C ATOM 104 OD1 ASP A 7 67.158 6.844 -5.819 1.00 0.00 O ATOM 105 OD2 ASP A 7 68.294 5.745 -7.284 1.00 0.00 O ATOM 0 H ASP A 7 63.997 5.995 -9.198 1.00 0.00 H new ATOM 0 HA ASP A 7 65.555 4.301 -7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 7 66.438 6.239 -8.901 1.00 0.00 H new ATOM 0 HB3 ASP A 7 65.616 7.350 -7.823 1.00 0.00 H new ATOM 110 N CYS A 8 65.243 4.656 -5.169 1.00 0.00 N ATOM 111 CA CYS A 8 64.863 4.758 -3.733 1.00 0.00 C ATOM 112 C CYS A 8 65.934 5.541 -2.965 1.00 0.00 C ATOM 113 O CYS A 8 67.018 5.038 -2.743 1.00 0.00 O ATOM 114 CB CYS A 8 64.755 3.354 -3.137 1.00 0.00 C ATOM 115 SG CYS A 8 64.332 3.480 -1.382 1.00 0.00 S ATOM 0 H CYS A 8 65.957 3.960 -5.382 1.00 0.00 H new ATOM 0 HA CYS A 8 63.906 5.274 -3.653 1.00 0.00 H new ATOM 0 HB2 CYS A 8 63.994 2.780 -3.666 1.00 0.00 H new ATOM 0 HB3 CYS A 8 65.698 2.821 -3.258 1.00 0.00 H new ATOM 0 HG CYS A 8 63.708 2.403 -1.008 1.00 0.00 H new ATOM 121 N PRO A 9 65.599 6.742 -2.566 1.00 0.00 N ATOM 122 CA PRO A 9 66.520 7.599 -1.804 1.00 0.00 C ATOM 123 C PRO A 9 66.576 7.132 -0.347 1.00 0.00 C ATOM 124 O PRO A 9 67.597 7.221 0.304 1.00 0.00 O ATOM 125 CB PRO A 9 65.900 8.994 -1.922 1.00 0.00 C ATOM 126 CG PRO A 9 64.404 8.778 -2.251 1.00 0.00 C ATOM 127 CD PRO A 9 64.283 7.357 -2.833 1.00 0.00 C ATOM 0 HA PRO A 9 67.546 7.575 -2.172 1.00 0.00 H new ATOM 0 HB2 PRO A 9 66.017 9.551 -0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 9 66.391 9.573 -2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 9 63.791 8.884 -1.356 1.00 0.00 H new ATOM 0 HG3 PRO A 9 64.053 9.521 -2.967 1.00 0.00 H new ATOM 0 HD2 PRO A 9 63.478 6.798 -2.355 1.00 0.00 H new ATOM 0 HD3 PRO A 9 64.064 7.381 -3.901 1.00 0.00 H new ATOM 135 N ALA A 10 65.486 6.622 0.165 1.00 0.00 N ATOM 136 CA ALA A 10 65.485 6.137 1.572 1.00 0.00 C ATOM 137 C ALA A 10 66.678 5.202 1.776 1.00 0.00 C ATOM 138 O ALA A 10 67.226 5.104 2.856 1.00 0.00 O ATOM 139 CB ALA A 10 64.187 5.377 1.853 1.00 0.00 C ATOM 0 H ALA A 10 64.600 6.522 -0.331 1.00 0.00 H new ATOM 0 HA ALA A 10 65.558 6.985 2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 10 64.189 5.023 2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 10 63.336 6.041 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 10 64.110 4.525 1.177 1.00 0.00 H new ATOM 145 N LEU A 11 67.086 4.516 0.741 1.00 0.00 N ATOM 146 CA LEU A 11 68.245 3.589 0.869 1.00 0.00 C ATOM 147 C LEU A 11 69.380 4.062 -0.042 1.00 0.00 C ATOM 148 O LEU A 11 70.435 4.452 0.417 1.00 0.00 O ATOM 149 CB LEU A 11 67.824 2.175 0.460 1.00 0.00 C ATOM 150 CG LEU A 11 66.510 1.799 1.152 1.00 0.00 C ATOM 151 CD1 LEU A 11 66.313 0.285 1.071 1.00 0.00 C ATOM 152 CD2 LEU A 11 66.559 2.220 2.622 1.00 0.00 C ATOM 0 H LEU A 11 66.665 4.559 -0.187 1.00 0.00 H new ATOM 0 HA LEU A 11 68.585 3.580 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 11 67.703 2.121 -0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 11 68.603 1.462 0.729 1.00 0.00 H new ATOM 0 HG LEU A 11 65.684 2.309 0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 11 65.379 0.013 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 11 66.276 -0.022 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 11 67.144 -0.217 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 11 65.622 1.950 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 11 67.386 1.712 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 11 66.704 3.298 2.687 1.00 0.00 H new ATOM 164 N GLY A 12 69.175 4.029 -1.331 1.00 0.00 N ATOM 165 CA GLY A 12 70.248 4.476 -2.265 1.00 0.00 C ATOM 166 C GLY A 12 69.888 4.077 -3.701 1.00 0.00 C ATOM 167 O GLY A 12 68.728 4.049 -4.063 1.00 0.00 O ATOM 0 H GLY A 12 68.314 3.713 -1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 12 70.373 5.557 -2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 12 71.200 4.027 -1.981 1.00 0.00 H new ATOM 171 N PRO A 13 70.902 3.785 -4.479 1.00 0.00 N ATOM 172 CA PRO A 13 70.735 3.388 -5.890 1.00 0.00 C ATOM 173 C PRO A 13 70.291 1.924 -5.990 1.00 0.00 C ATOM 174 O PRO A 13 70.202 1.223 -5.002 1.00 0.00 O ATOM 175 CB PRO A 13 72.135 3.573 -6.482 1.00 0.00 C ATOM 176 CG PRO A 13 73.123 3.510 -5.293 1.00 0.00 C ATOM 177 CD PRO A 13 72.307 3.825 -4.025 1.00 0.00 C ATOM 0 HA PRO A 13 69.974 3.970 -6.410 1.00 0.00 H new ATOM 0 HB2 PRO A 13 72.355 2.793 -7.211 1.00 0.00 H new ATOM 0 HB3 PRO A 13 72.214 4.527 -7.002 1.00 0.00 H new ATOM 0 HG2 PRO A 13 73.582 2.524 -5.223 1.00 0.00 H new ATOM 0 HG3 PRO A 13 73.931 4.230 -5.422 1.00 0.00 H new ATOM 0 HD2 PRO A 13 72.493 3.092 -3.240 1.00 0.00 H new ATOM 0 HD3 PRO A 13 72.566 4.802 -3.617 1.00 0.00 H new ATOM 185 N GLY A 14 70.014 1.460 -7.179 1.00 0.00 N ATOM 186 CA GLY A 14 69.577 0.044 -7.346 1.00 0.00 C ATOM 187 C GLY A 14 68.220 -0.156 -6.669 1.00 0.00 C ATOM 188 O GLY A 14 67.216 -0.370 -7.319 1.00 0.00 O ATOM 0 H GLY A 14 70.072 2.001 -8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 14 69.506 -0.203 -8.405 1.00 0.00 H new ATOM 0 HA3 GLY A 14 70.315 -0.629 -6.910 1.00 0.00 H new ATOM 192 N TRP A 15 68.184 -0.086 -5.368 1.00 0.00 N ATOM 193 CA TRP A 15 66.895 -0.269 -4.645 1.00 0.00 C ATOM 194 C TRP A 15 65.790 0.506 -5.366 1.00 0.00 C ATOM 195 O TRP A 15 65.857 1.711 -5.509 1.00 0.00 O ATOM 196 CB TRP A 15 67.043 0.259 -3.218 1.00 0.00 C ATOM 197 CG TRP A 15 66.161 -0.520 -2.300 1.00 0.00 C ATOM 198 CD1 TRP A 15 65.210 0.014 -1.502 1.00 0.00 C ATOM 199 CD2 TRP A 15 66.130 -1.958 -2.068 1.00 0.00 C ATOM 200 NE1 TRP A 15 64.601 -1.002 -0.791 1.00 0.00 N ATOM 201 CE2 TRP A 15 65.131 -2.236 -1.108 1.00 0.00 C ATOM 202 CE3 TRP A 15 66.865 -3.037 -2.592 1.00 0.00 C ATOM 203 CZ2 TRP A 15 64.869 -3.536 -0.681 1.00 0.00 C ATOM 204 CZ3 TRP A 15 66.603 -4.349 -2.164 1.00 0.00 C ATOM 205 CH2 TRP A 15 65.607 -4.598 -1.210 1.00 0.00 C ATOM 0 H TRP A 15 68.993 0.090 -4.773 1.00 0.00 H new ATOM 0 HA TRP A 15 66.634 -1.327 -4.620 1.00 0.00 H new ATOM 0 HB2 TRP A 15 68.081 0.178 -2.896 1.00 0.00 H new ATOM 0 HB3 TRP A 15 66.779 1.316 -3.182 1.00 0.00 H new ATOM 0 HD1 TRP A 15 64.966 1.064 -1.432 1.00 0.00 H new ATOM 0 HE1 TRP A 15 63.851 -0.858 -0.115 1.00 0.00 H new ATOM 0 HE3 TRP A 15 67.635 -2.856 -3.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 64.100 -3.722 0.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 67.172 -5.171 -2.573 1.00 0.00 H new ATOM 0 HH2 TRP A 15 65.410 -5.609 -0.884 1.00 0.00 H new ATOM 216 N LYS A 16 64.773 -0.174 -5.824 1.00 0.00 N ATOM 217 CA LYS A 16 63.668 0.529 -6.536 1.00 0.00 C ATOM 218 C LYS A 16 62.475 0.699 -5.594 1.00 0.00 C ATOM 219 O LYS A 16 61.859 -0.262 -5.176 1.00 0.00 O ATOM 220 CB LYS A 16 63.242 -0.293 -7.755 1.00 0.00 C ATOM 221 CG LYS A 16 64.208 -0.031 -8.912 1.00 0.00 C ATOM 222 CD LYS A 16 63.675 1.116 -9.773 1.00 0.00 C ATOM 223 CE LYS A 16 63.799 0.745 -11.252 1.00 0.00 C ATOM 224 NZ LYS A 16 64.760 1.668 -11.917 1.00 0.00 N ATOM 0 H LYS A 16 64.660 -1.184 -5.736 1.00 0.00 H new ATOM 0 HA LYS A 16 64.015 1.510 -6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 16 63.235 -1.354 -7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 16 62.226 -0.028 -8.048 1.00 0.00 H new ATOM 0 HG2 LYS A 16 65.196 0.219 -8.525 1.00 0.00 H new ATOM 0 HG3 LYS A 16 64.321 -0.931 -9.516 1.00 0.00 H new ATOM 0 HD2 LYS A 16 62.633 1.318 -9.524 1.00 0.00 H new ATOM 0 HD3 LYS A 16 64.234 2.029 -9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 16 64.140 -0.286 -11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 16 62.824 0.807 -11.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 64.844 1.416 -12.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 64.417 2.646 -11.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 65.691 1.588 -11.461 1.00 0.00 H new ATOM 238 N ARG A 17 62.140 1.916 -5.259 1.00 0.00 N ATOM 239 CA ARG A 17 60.983 2.147 -4.348 1.00 0.00 C ATOM 240 C ARG A 17 59.720 2.369 -5.181 1.00 0.00 C ATOM 241 O ARG A 17 59.579 3.369 -5.858 1.00 0.00 O ATOM 242 CB ARG A 17 61.250 3.384 -3.485 1.00 0.00 C ATOM 243 CG ARG A 17 60.392 3.323 -2.218 1.00 0.00 C ATOM 244 CD ARG A 17 61.101 4.073 -1.087 1.00 0.00 C ATOM 245 NE ARG A 17 61.772 5.279 -1.642 1.00 0.00 N ATOM 246 CZ ARG A 17 61.199 6.447 -1.547 1.00 0.00 C ATOM 247 NH1 ARG A 17 60.173 6.734 -2.301 1.00 0.00 N ATOM 248 NH2 ARG A 17 61.650 7.328 -0.697 1.00 0.00 N ATOM 0 H ARG A 17 62.617 2.759 -5.577 1.00 0.00 H new ATOM 0 HA ARG A 17 60.847 1.279 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 17 62.306 3.433 -3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 17 61.021 4.289 -4.048 1.00 0.00 H new ATOM 0 HG2 ARG A 17 59.414 3.766 -2.406 1.00 0.00 H new ATOM 0 HG3 ARG A 17 60.222 2.285 -1.930 1.00 0.00 H new ATOM 0 HD2 ARG A 17 60.382 4.363 -0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 17 61.833 3.423 -0.608 1.00 0.00 H new ATOM 0 HE ARG A 17 62.681 5.193 -2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 17 59.819 6.045 -2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 17 59.725 7.647 -2.227 1.00 0.00 H new ATOM 0 HH21 ARG A 17 62.451 7.104 -0.107 1.00 0.00 H new ATOM 0 HH22 ARG A 17 61.202 8.241 -0.623 1.00 0.00 H new ATOM 262 N ARG A 18 58.800 1.444 -5.142 1.00 0.00 N ATOM 263 CA ARG A 18 57.548 1.604 -5.934 1.00 0.00 C ATOM 264 C ARG A 18 56.422 2.085 -5.017 1.00 0.00 C ATOM 265 O ARG A 18 56.383 1.765 -3.845 1.00 0.00 O ATOM 266 CB ARG A 18 57.161 0.261 -6.556 1.00 0.00 C ATOM 267 CG ARG A 18 55.938 0.449 -7.456 1.00 0.00 C ATOM 268 CD ARG A 18 55.446 -0.915 -7.944 1.00 0.00 C ATOM 269 NE ARG A 18 54.680 -1.584 -6.856 1.00 0.00 N ATOM 270 CZ ARG A 18 54.909 -2.837 -6.572 1.00 0.00 C ATOM 271 NH1 ARG A 18 56.037 -3.185 -6.016 1.00 0.00 N ATOM 272 NH2 ARG A 18 54.010 -3.742 -6.846 1.00 0.00 N ATOM 0 H ARG A 18 58.861 0.585 -4.596 1.00 0.00 H new ATOM 0 HA ARG A 18 57.710 2.336 -6.725 1.00 0.00 H new ATOM 0 HB2 ARG A 18 57.994 -0.137 -7.135 1.00 0.00 H new ATOM 0 HB3 ARG A 18 56.941 -0.465 -5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 18 55.145 0.958 -6.908 1.00 0.00 H new ATOM 0 HG3 ARG A 18 56.194 1.081 -8.307 1.00 0.00 H new ATOM 0 HD2 ARG A 18 54.816 -0.793 -8.825 1.00 0.00 H new ATOM 0 HD3 ARG A 18 56.293 -1.534 -8.241 1.00 0.00 H new ATOM 0 HE ARG A 18 53.976 -1.063 -6.333 1.00 0.00 H new ATOM 0 HH11 ARG A 18 56.740 -2.478 -5.803 1.00 0.00 H new ATOM 0 HH12 ARG A 18 56.215 -4.164 -5.794 1.00 0.00 H new ATOM 0 HH21 ARG A 18 53.129 -3.470 -7.282 1.00 0.00 H new ATOM 0 HH22 ARG A 18 54.188 -4.722 -6.624 1.00 0.00 H new ATOM 286 N GLU A 19 55.504 2.852 -5.540 1.00 0.00 N ATOM 287 CA GLU A 19 54.381 3.351 -4.698 1.00 0.00 C ATOM 288 C GLU A 19 53.119 2.542 -5.004 1.00 0.00 C ATOM 289 O GLU A 19 52.888 2.134 -6.125 1.00 0.00 O ATOM 290 CB GLU A 19 54.127 4.828 -5.006 1.00 0.00 C ATOM 291 CG GLU A 19 53.746 4.986 -6.479 1.00 0.00 C ATOM 292 CD GLU A 19 53.653 6.473 -6.825 1.00 0.00 C ATOM 293 OE1 GLU A 19 53.215 7.232 -5.976 1.00 0.00 O ATOM 294 OE2 GLU A 19 54.023 6.829 -7.932 1.00 0.00 O ATOM 0 H GLU A 19 55.484 3.154 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 19 54.639 3.240 -3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 19 53.329 5.211 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 19 55.019 5.415 -4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 19 54.489 4.500 -7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 19 52.792 4.496 -6.673 1.00 0.00 H new ATOM 301 N VAL A 20 52.300 2.304 -4.016 1.00 0.00 N ATOM 302 CA VAL A 20 51.056 1.520 -4.253 1.00 0.00 C ATOM 303 C VAL A 20 49.835 2.392 -3.948 1.00 0.00 C ATOM 304 O VAL A 20 49.906 3.331 -3.180 1.00 0.00 O ATOM 305 CB VAL A 20 51.045 0.293 -3.340 1.00 0.00 C ATOM 306 CG1 VAL A 20 50.048 -0.732 -3.881 1.00 0.00 C ATOM 307 CG2 VAL A 20 52.444 -0.329 -3.303 1.00 0.00 C ATOM 0 H VAL A 20 52.439 2.619 -3.056 1.00 0.00 H new ATOM 0 HA VAL A 20 51.023 1.200 -5.294 1.00 0.00 H new ATOM 0 HB VAL A 20 50.753 0.591 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 20 50.038 -1.608 -3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 20 49.052 -0.291 -3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 20 50.342 -1.030 -4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 20 52.436 -1.203 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 20 52.736 -0.628 -4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 20 53.157 0.401 -2.921 1.00 0.00 H new ATOM 317 N PHE A 21 48.714 2.088 -4.545 1.00 0.00 N ATOM 318 CA PHE A 21 47.489 2.898 -4.289 1.00 0.00 C ATOM 319 C PHE A 21 46.431 2.019 -3.619 1.00 0.00 C ATOM 320 O PHE A 21 45.261 2.087 -3.939 1.00 0.00 O ATOM 321 CB PHE A 21 46.940 3.432 -5.614 1.00 0.00 C ATOM 322 CG PHE A 21 47.192 2.424 -6.710 1.00 0.00 C ATOM 323 CD1 PHE A 21 48.464 2.317 -7.283 1.00 0.00 C ATOM 324 CD2 PHE A 21 46.152 1.597 -7.152 1.00 0.00 C ATOM 325 CE1 PHE A 21 48.698 1.382 -8.298 1.00 0.00 C ATOM 326 CE2 PHE A 21 46.386 0.663 -8.168 1.00 0.00 C ATOM 327 CZ PHE A 21 47.659 0.555 -8.741 1.00 0.00 C ATOM 0 H PHE A 21 48.594 1.314 -5.199 1.00 0.00 H new ATOM 0 HA PHE A 21 47.738 3.735 -3.636 1.00 0.00 H new ATOM 0 HB2 PHE A 21 45.871 3.627 -5.524 1.00 0.00 H new ATOM 0 HB3 PHE A 21 47.417 4.380 -5.861 1.00 0.00 H new ATOM 0 HD1 PHE A 21 49.265 2.956 -6.942 1.00 0.00 H new ATOM 0 HD2 PHE A 21 45.170 1.680 -6.709 1.00 0.00 H new ATOM 0 HE1 PHE A 21 49.680 1.299 -8.739 1.00 0.00 H new ATOM 0 HE2 PHE A 21 45.584 0.025 -8.510 1.00 0.00 H new ATOM 0 HZ PHE A 21 47.839 -0.166 -9.525 1.00 0.00 H new ATOM 337 N ARG A 22 46.833 1.193 -2.693 1.00 0.00 N ATOM 338 CA ARG A 22 45.850 0.310 -2.005 1.00 0.00 C ATOM 339 C ARG A 22 44.915 -0.316 -3.043 1.00 0.00 C ATOM 340 O ARG A 22 43.778 -0.634 -2.757 1.00 0.00 O ATOM 341 CB ARG A 22 45.031 1.135 -1.009 1.00 0.00 C ATOM 342 CG ARG A 22 45.238 0.584 0.404 1.00 0.00 C ATOM 343 CD ARG A 22 43.879 0.278 1.038 1.00 0.00 C ATOM 344 NE ARG A 22 44.040 0.127 2.512 1.00 0.00 N ATOM 345 CZ ARG A 22 43.066 -0.368 3.227 1.00 0.00 C ATOM 346 NH1 ARG A 22 41.827 -0.117 2.905 1.00 0.00 N ATOM 347 NH2 ARG A 22 43.331 -1.114 4.265 1.00 0.00 N ATOM 0 H ARG A 22 47.799 1.091 -2.383 1.00 0.00 H new ATOM 0 HA ARG A 22 46.380 -0.479 -1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 22 45.335 2.181 -1.051 1.00 0.00 H new ATOM 0 HB3 ARG A 22 43.974 1.099 -1.273 1.00 0.00 H new ATOM 0 HG2 ARG A 22 45.846 -0.320 0.368 1.00 0.00 H new ATOM 0 HG3 ARG A 22 45.780 1.308 1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 22 43.175 1.081 0.819 1.00 0.00 H new ATOM 0 HD3 ARG A 22 43.464 -0.635 0.611 1.00 0.00 H new ATOM 0 HE ARG A 22 44.911 0.410 2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 22 41.619 0.466 2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 22 41.066 -0.504 3.464 1.00 0.00 H new ATOM 0 HH21 ARG A 22 44.299 -1.310 4.518 1.00 0.00 H new ATOM 0 HH22 ARG A 22 42.570 -1.500 4.823 1.00 0.00 H new ATOM 361 N LYS A 23 45.386 -0.497 -4.247 1.00 0.00 N ATOM 362 CA LYS A 23 44.527 -1.104 -5.302 1.00 0.00 C ATOM 363 C LYS A 23 43.389 -0.141 -5.651 1.00 0.00 C ATOM 364 O LYS A 23 43.360 0.440 -6.718 1.00 0.00 O ATOM 365 CB LYS A 23 43.941 -2.421 -4.789 1.00 0.00 C ATOM 366 CG LYS A 23 44.964 -3.123 -3.894 1.00 0.00 C ATOM 367 CD LYS A 23 44.690 -4.629 -3.891 1.00 0.00 C ATOM 368 CE LYS A 23 45.680 -5.328 -2.958 1.00 0.00 C ATOM 369 NZ LYS A 23 45.012 -5.632 -1.662 1.00 0.00 N ATOM 0 H LYS A 23 46.330 -0.250 -4.545 1.00 0.00 H new ATOM 0 HA LYS A 23 45.127 -1.296 -6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 23 43.025 -2.230 -4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 23 43.675 -3.064 -5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 23 45.974 -2.927 -4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 23 44.906 -2.730 -2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 23 43.668 -4.822 -3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 23 44.783 -5.028 -4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 23 46.042 -6.248 -3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 23 46.549 -4.692 -2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 45.685 -6.107 -1.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 44.688 -4.747 -1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 44.196 -6.254 -1.830 1.00 0.00 H new ATOM 383 N SER A 24 42.451 0.030 -4.760 1.00 0.00 N ATOM 384 CA SER A 24 41.316 0.953 -5.040 1.00 0.00 C ATOM 385 C SER A 24 41.452 2.207 -4.173 1.00 0.00 C ATOM 386 O SER A 24 40.546 3.011 -4.081 1.00 0.00 O ATOM 387 CB SER A 24 39.998 0.251 -4.717 1.00 0.00 C ATOM 388 OG SER A 24 39.791 0.267 -3.311 1.00 0.00 O ATOM 0 H SER A 24 42.422 -0.430 -3.850 1.00 0.00 H new ATOM 0 HA SER A 24 41.329 1.236 -6.092 1.00 0.00 H new ATOM 0 HB2 SER A 24 39.172 0.751 -5.224 1.00 0.00 H new ATOM 0 HB3 SER A 24 40.021 -0.776 -5.081 1.00 0.00 H new ATOM 0 HG SER A 24 38.945 -0.181 -3.100 1.00 0.00 H new ATOM 394 N GLY A 25 42.577 2.380 -3.535 1.00 0.00 N ATOM 395 CA GLY A 25 42.768 3.582 -2.674 1.00 0.00 C ATOM 396 C GLY A 25 43.603 4.619 -3.427 1.00 0.00 C ATOM 397 O GLY A 25 44.727 4.906 -3.066 1.00 0.00 O ATOM 0 H GLY A 25 43.372 1.742 -3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 25 41.801 4.005 -2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 25 43.266 3.302 -1.746 1.00 0.00 H new ATOM 401 N ALA A 26 43.061 5.184 -4.472 1.00 0.00 N ATOM 402 CA ALA A 26 43.825 6.202 -5.248 1.00 0.00 C ATOM 403 C ALA A 26 43.813 7.535 -4.497 1.00 0.00 C ATOM 404 O ALA A 26 44.832 8.179 -4.341 1.00 0.00 O ATOM 405 CB ALA A 26 43.176 6.385 -6.622 1.00 0.00 C ATOM 0 H ALA A 26 42.124 4.985 -4.821 1.00 0.00 H new ATOM 0 HA ALA A 26 44.855 5.866 -5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 26 43.733 7.129 -7.191 1.00 0.00 H new ATOM 0 HB2 ALA A 26 43.186 5.436 -7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 26 42.147 6.720 -6.496 1.00 0.00 H new ATOM 411 N THR A 27 42.669 7.956 -4.031 1.00 0.00 N ATOM 412 CA THR A 27 42.596 9.249 -3.292 1.00 0.00 C ATOM 413 C THR A 27 41.771 9.062 -2.017 1.00 0.00 C ATOM 414 O THR A 27 41.048 9.945 -1.600 1.00 0.00 O ATOM 415 CB THR A 27 41.933 10.307 -4.177 1.00 0.00 C ATOM 416 OG1 THR A 27 41.952 11.559 -3.506 1.00 0.00 O ATOM 417 CG2 THR A 27 40.487 9.902 -4.465 1.00 0.00 C ATOM 0 H THR A 27 41.782 7.461 -4.130 1.00 0.00 H new ATOM 0 HA THR A 27 43.603 9.574 -3.030 1.00 0.00 H new ATOM 0 HB THR A 27 42.478 10.389 -5.118 1.00 0.00 H new ATOM 0 HG1 THR A 27 41.667 11.436 -2.576 1.00 0.00 H new ATOM 0 HG21 THR A 27 40.016 10.657 -5.095 1.00 0.00 H new ATOM 0 HG22 THR A 27 40.474 8.941 -4.979 1.00 0.00 H new ATOM 0 HG23 THR A 27 39.938 9.820 -3.527 1.00 0.00 H new ATOM 425 N CYS A 28 41.874 7.920 -1.396 1.00 0.00 N ATOM 426 CA CYS A 28 41.096 7.678 -0.148 1.00 0.00 C ATOM 427 C CYS A 28 41.735 6.532 0.637 1.00 0.00 C ATOM 428 O CYS A 28 41.804 6.560 1.849 1.00 0.00 O ATOM 429 CB CYS A 28 39.656 7.308 -0.508 1.00 0.00 C ATOM 430 SG CYS A 28 39.656 6.202 -1.941 1.00 0.00 S ATOM 0 H CYS A 28 42.463 7.144 -1.698 1.00 0.00 H new ATOM 0 HA CYS A 28 41.098 8.582 0.462 1.00 0.00 H new ATOM 0 HB2 CYS A 28 39.172 6.823 0.339 1.00 0.00 H new ATOM 0 HB3 CYS A 28 39.083 8.208 -0.730 1.00 0.00 H new ATOM 0 HG CYS A 28 38.432 5.886 -2.245 1.00 0.00 H new ATOM 436 N GLY A 29 42.204 5.523 -0.045 1.00 0.00 N ATOM 437 CA GLY A 29 42.839 4.377 0.664 1.00 0.00 C ATOM 438 C GLY A 29 44.311 4.693 0.929 1.00 0.00 C ATOM 439 O GLY A 29 44.979 5.309 0.122 1.00 0.00 O ATOM 0 H GLY A 29 42.175 5.443 -1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 29 42.322 4.186 1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 29 42.753 3.471 0.063 1.00 0.00 H new ATOM 443 N ARG A 30 44.823 4.276 2.054 1.00 0.00 N ATOM 444 CA ARG A 30 46.252 4.551 2.372 1.00 0.00 C ATOM 445 C ARG A 30 47.130 4.082 1.209 1.00 0.00 C ATOM 446 O ARG A 30 46.738 3.244 0.422 1.00 0.00 O ATOM 447 CB ARG A 30 46.645 3.795 3.642 1.00 0.00 C ATOM 448 CG ARG A 30 47.990 4.314 4.152 1.00 0.00 C ATOM 449 CD ARG A 30 47.817 5.731 4.704 1.00 0.00 C ATOM 450 NE ARG A 30 48.549 5.851 5.996 1.00 0.00 N ATOM 451 CZ ARG A 30 47.905 5.724 7.125 1.00 0.00 C ATOM 452 NH1 ARG A 30 46.752 5.113 7.153 1.00 0.00 N ATOM 453 NH2 ARG A 30 48.415 6.208 8.224 1.00 0.00 N ATOM 0 H ARG A 30 44.312 3.756 2.768 1.00 0.00 H new ATOM 0 HA ARG A 30 46.392 5.621 2.527 1.00 0.00 H new ATOM 0 HB2 ARG A 30 45.880 3.926 4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 30 46.710 2.727 3.436 1.00 0.00 H new ATOM 0 HG2 ARG A 30 48.375 3.654 4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 30 48.721 4.314 3.344 1.00 0.00 H new ATOM 0 HD2 ARG A 30 48.197 6.461 3.989 1.00 0.00 H new ATOM 0 HD3 ARG A 30 46.759 5.949 4.851 1.00 0.00 H new ATOM 0 HE ARG A 30 49.553 6.032 5.999 1.00 0.00 H new ATOM 0 HH11 ARG A 30 46.354 4.735 6.293 1.00 0.00 H new ATOM 0 HH12 ARG A 30 46.249 5.014 8.035 1.00 0.00 H new ATOM 0 HH21 ARG A 30 49.316 6.685 8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 30 47.913 6.109 9.106 1.00 0.00 H new ATOM 467 N SER A 31 48.315 4.616 1.094 1.00 0.00 N ATOM 468 CA SER A 31 49.214 4.200 -0.019 1.00 0.00 C ATOM 469 C SER A 31 50.379 3.379 0.540 1.00 0.00 C ATOM 470 O SER A 31 51.205 3.878 1.278 1.00 0.00 O ATOM 471 CB SER A 31 49.758 5.442 -0.726 1.00 0.00 C ATOM 472 OG SER A 31 49.845 6.513 0.205 1.00 0.00 O ATOM 0 H SER A 31 48.699 5.322 1.722 1.00 0.00 H new ATOM 0 HA SER A 31 48.653 3.593 -0.729 1.00 0.00 H new ATOM 0 HB2 SER A 31 50.740 5.232 -1.149 1.00 0.00 H new ATOM 0 HB3 SER A 31 49.106 5.718 -1.555 1.00 0.00 H new ATOM 0 HG SER A 31 50.195 7.310 -0.245 1.00 0.00 H new ATOM 478 N ASP A 32 50.452 2.122 0.194 1.00 0.00 N ATOM 479 CA ASP A 32 51.563 1.271 0.704 1.00 0.00 C ATOM 480 C ASP A 32 52.754 1.363 -0.253 1.00 0.00 C ATOM 481 O ASP A 32 52.633 1.838 -1.365 1.00 0.00 O ATOM 482 CB ASP A 32 51.094 -0.182 0.794 1.00 0.00 C ATOM 483 CG ASP A 32 50.567 -0.464 2.202 1.00 0.00 C ATOM 484 OD1 ASP A 32 51.352 -0.390 3.133 1.00 0.00 O ATOM 485 OD2 ASP A 32 49.387 -0.749 2.326 1.00 0.00 O ATOM 0 H ASP A 32 49.790 1.648 -0.420 1.00 0.00 H new ATOM 0 HA ASP A 32 51.862 1.618 1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 32 50.312 -0.369 0.058 1.00 0.00 H new ATOM 0 HB3 ASP A 32 51.918 -0.856 0.561 1.00 0.00 H new ATOM 490 N THR A 33 53.903 0.912 0.169 1.00 0.00 N ATOM 491 CA THR A 33 55.099 0.974 -0.718 1.00 0.00 C ATOM 492 C THR A 33 55.792 -0.390 -0.734 1.00 0.00 C ATOM 493 O THR A 33 55.840 -1.085 0.261 1.00 0.00 O ATOM 494 CB THR A 33 56.071 2.036 -0.194 1.00 0.00 C ATOM 495 OG1 THR A 33 55.548 3.328 -0.467 1.00 0.00 O ATOM 496 CG2 THR A 33 57.430 1.879 -0.881 1.00 0.00 C ATOM 0 H THR A 33 54.066 0.503 1.089 1.00 0.00 H new ATOM 0 HA THR A 33 54.788 1.236 -1.729 1.00 0.00 H new ATOM 0 HB THR A 33 56.197 1.911 0.882 1.00 0.00 H new ATOM 0 HG1 THR A 33 56.167 4.009 -0.131 1.00 0.00 H new ATOM 0 HG21 THR A 33 58.118 2.637 -0.505 1.00 0.00 H new ATOM 0 HG22 THR A 33 57.832 0.888 -0.671 1.00 0.00 H new ATOM 0 HG23 THR A 33 57.310 2.001 -1.957 1.00 0.00 H new ATOM 504 N TYR A 34 56.330 -0.775 -1.858 1.00 0.00 N ATOM 505 CA TYR A 34 57.024 -2.091 -1.941 1.00 0.00 C ATOM 506 C TYR A 34 58.449 -1.875 -2.451 1.00 0.00 C ATOM 507 O TYR A 34 58.780 -0.823 -2.961 1.00 0.00 O ATOM 508 CB TYR A 34 56.261 -3.006 -2.900 1.00 0.00 C ATOM 509 CG TYR A 34 54.840 -3.157 -2.413 1.00 0.00 C ATOM 510 CD1 TYR A 34 54.572 -3.177 -1.038 1.00 0.00 C ATOM 511 CD2 TYR A 34 53.792 -3.275 -3.332 1.00 0.00 C ATOM 512 CE1 TYR A 34 53.256 -3.315 -0.584 1.00 0.00 C ATOM 513 CE2 TYR A 34 52.475 -3.414 -2.878 1.00 0.00 C ATOM 514 CZ TYR A 34 52.207 -3.433 -1.503 1.00 0.00 C ATOM 515 OH TYR A 34 50.910 -3.570 -1.055 1.00 0.00 O ATOM 0 H TYR A 34 56.319 -0.235 -2.723 1.00 0.00 H new ATOM 0 HA TYR A 34 57.059 -2.555 -0.955 1.00 0.00 H new ATOM 0 HB2 TYR A 34 56.271 -2.588 -3.907 1.00 0.00 H new ATOM 0 HB3 TYR A 34 56.745 -3.981 -2.955 1.00 0.00 H new ATOM 0 HD1 TYR A 34 55.381 -3.086 -0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 34 53.999 -3.259 -4.392 1.00 0.00 H new ATOM 0 HE1 TYR A 34 53.049 -3.330 0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 34 51.666 -3.507 -3.587 1.00 0.00 H new ATOM 0 HH TYR A 34 50.304 -3.638 -1.822 1.00 0.00 H new ATOM 525 N TYR A 35 59.302 -2.852 -2.309 1.00 0.00 N ATOM 526 CA TYR A 35 60.705 -2.677 -2.779 1.00 0.00 C ATOM 527 C TYR A 35 61.056 -3.738 -3.822 1.00 0.00 C ATOM 528 O TYR A 35 60.578 -4.855 -3.778 1.00 0.00 O ATOM 529 CB TYR A 35 61.653 -2.811 -1.590 1.00 0.00 C ATOM 530 CG TYR A 35 61.769 -1.481 -0.892 1.00 0.00 C ATOM 531 CD1 TYR A 35 62.115 -0.337 -1.620 1.00 0.00 C ATOM 532 CD2 TYR A 35 61.538 -1.392 0.484 1.00 0.00 C ATOM 533 CE1 TYR A 35 62.228 0.897 -0.971 1.00 0.00 C ATOM 534 CE2 TYR A 35 61.652 -0.159 1.135 1.00 0.00 C ATOM 535 CZ TYR A 35 61.997 0.986 0.407 1.00 0.00 C ATOM 536 OH TYR A 35 62.112 2.202 1.048 1.00 0.00 O ATOM 0 H TYR A 35 59.090 -3.758 -1.891 1.00 0.00 H new ATOM 0 HA TYR A 35 60.805 -1.690 -3.231 1.00 0.00 H new ATOM 0 HB2 TYR A 35 61.282 -3.567 -0.898 1.00 0.00 H new ATOM 0 HB3 TYR A 35 62.634 -3.144 -1.928 1.00 0.00 H new ATOM 0 HD1 TYR A 35 62.295 -0.407 -2.683 1.00 0.00 H new ATOM 0 HD2 TYR A 35 61.271 -2.276 1.045 1.00 0.00 H new ATOM 0 HE1 TYR A 35 62.493 1.781 -1.533 1.00 0.00 H new ATOM 0 HE2 TYR A 35 61.474 -0.090 2.198 1.00 0.00 H new ATOM 0 HH TYR A 35 61.364 2.315 1.671 1.00 0.00 H new ATOM 546 N GLN A 36 61.902 -3.393 -4.754 1.00 0.00 N ATOM 547 CA GLN A 36 62.309 -4.370 -5.800 1.00 0.00 C ATOM 548 C GLN A 36 63.834 -4.353 -5.926 1.00 0.00 C ATOM 549 O GLN A 36 64.424 -3.366 -6.322 1.00 0.00 O ATOM 550 CB GLN A 36 61.671 -3.983 -7.139 1.00 0.00 C ATOM 551 CG GLN A 36 62.382 -4.709 -8.284 1.00 0.00 C ATOM 552 CD GLN A 36 63.295 -3.727 -9.020 1.00 0.00 C ATOM 553 OE1 GLN A 36 64.473 -3.643 -8.735 1.00 0.00 O ATOM 554 NE2 GLN A 36 62.797 -2.975 -9.964 1.00 0.00 N ATOM 0 H GLN A 36 62.330 -2.471 -4.835 1.00 0.00 H new ATOM 0 HA GLN A 36 61.975 -5.371 -5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 36 60.612 -4.241 -7.135 1.00 0.00 H new ATOM 0 HB3 GLN A 36 61.736 -2.905 -7.285 1.00 0.00 H new ATOM 0 HG2 GLN A 36 62.966 -5.543 -7.894 1.00 0.00 H new ATOM 0 HG3 GLN A 36 61.649 -5.128 -8.974 1.00 0.00 H new ATOM 0 HE21 GLN A 36 61.808 -3.045 -10.204 1.00 0.00 H new ATOM 0 HE22 GLN A 36 63.397 -2.317 -10.462 1.00 0.00 H new ATOM 563 N SER A 37 64.476 -5.436 -5.584 1.00 0.00 N ATOM 564 CA SER A 37 65.963 -5.486 -5.676 1.00 0.00 C ATOM 565 C SER A 37 66.381 -5.557 -7.148 1.00 0.00 C ATOM 566 O SER A 37 65.547 -5.679 -8.023 1.00 0.00 O ATOM 567 CB SER A 37 66.473 -6.723 -4.933 1.00 0.00 C ATOM 568 OG SER A 37 66.809 -7.736 -5.873 1.00 0.00 O ATOM 0 H SER A 37 64.034 -6.290 -5.244 1.00 0.00 H new ATOM 0 HA SER A 37 66.390 -4.590 -5.225 1.00 0.00 H new ATOM 0 HB2 SER A 37 67.345 -6.466 -4.332 1.00 0.00 H new ATOM 0 HB3 SER A 37 65.710 -7.088 -4.246 1.00 0.00 H new ATOM 0 HG SER A 37 67.182 -8.510 -5.401 1.00 0.00 H new ATOM 574 N PRO A 38 67.668 -5.478 -7.373 1.00 0.00 N ATOM 575 CA PRO A 38 68.240 -5.531 -8.729 1.00 0.00 C ATOM 576 C PRO A 38 68.249 -6.972 -9.244 1.00 0.00 C ATOM 577 O PRO A 38 68.559 -7.233 -10.389 1.00 0.00 O ATOM 578 CB PRO A 38 69.666 -5.004 -8.537 1.00 0.00 C ATOM 579 CG PRO A 38 70.011 -5.214 -7.044 1.00 0.00 C ATOM 580 CD PRO A 38 68.670 -5.333 -6.297 1.00 0.00 C ATOM 0 HA PRO A 38 67.675 -4.952 -9.460 1.00 0.00 H new ATOM 0 HB2 PRO A 38 70.367 -5.539 -9.177 1.00 0.00 H new ATOM 0 HB3 PRO A 38 69.730 -3.950 -8.806 1.00 0.00 H new ATOM 0 HG2 PRO A 38 70.612 -6.113 -6.908 1.00 0.00 H new ATOM 0 HG3 PRO A 38 70.596 -4.378 -6.660 1.00 0.00 H new ATOM 0 HD2 PRO A 38 68.662 -6.193 -5.627 1.00 0.00 H new ATOM 0 HD3 PRO A 38 68.474 -4.451 -5.687 1.00 0.00 H new ATOM 588 N THR A 39 67.908 -7.909 -8.402 1.00 0.00 N ATOM 589 CA THR A 39 67.891 -9.334 -8.836 1.00 0.00 C ATOM 590 C THR A 39 66.442 -9.785 -9.029 1.00 0.00 C ATOM 591 O THR A 39 66.163 -10.721 -9.751 1.00 0.00 O ATOM 592 CB THR A 39 68.556 -10.203 -7.763 1.00 0.00 C ATOM 593 OG1 THR A 39 67.576 -10.623 -6.824 1.00 0.00 O ATOM 594 CG2 THR A 39 69.641 -9.396 -7.047 1.00 0.00 C ATOM 0 H THR A 39 67.640 -7.749 -7.431 1.00 0.00 H new ATOM 0 HA THR A 39 68.435 -9.437 -9.775 1.00 0.00 H new ATOM 0 HB THR A 39 69.009 -11.076 -8.232 1.00 0.00 H new ATOM 0 HG1 THR A 39 67.998 -11.180 -6.137 1.00 0.00 H new ATOM 0 HG21 THR A 39 70.112 -10.016 -6.285 1.00 0.00 H new ATOM 0 HG22 THR A 39 70.392 -9.075 -7.769 1.00 0.00 H new ATOM 0 HG23 THR A 39 69.193 -8.521 -6.577 1.00 0.00 H new ATOM 602 N GLY A 40 65.519 -9.124 -8.386 1.00 0.00 N ATOM 603 CA GLY A 40 64.087 -9.509 -8.528 1.00 0.00 C ATOM 604 C GLY A 40 63.509 -9.839 -7.150 1.00 0.00 C ATOM 605 O GLY A 40 62.580 -10.613 -7.026 1.00 0.00 O ATOM 0 H GLY A 40 65.695 -8.332 -7.767 1.00 0.00 H new ATOM 0 HA2 GLY A 40 63.524 -8.695 -8.985 1.00 0.00 H new ATOM 0 HA3 GLY A 40 63.995 -10.371 -9.189 1.00 0.00 H new ATOM 609 N ASP A 41 64.049 -9.258 -6.114 1.00 0.00 N ATOM 610 CA ASP A 41 63.529 -9.539 -4.747 1.00 0.00 C ATOM 611 C ASP A 41 62.427 -8.536 -4.403 1.00 0.00 C ATOM 612 O ASP A 41 62.668 -7.350 -4.285 1.00 0.00 O ATOM 613 CB ASP A 41 64.667 -9.412 -3.731 1.00 0.00 C ATOM 614 CG ASP A 41 64.546 -10.525 -2.689 1.00 0.00 C ATOM 615 OD1 ASP A 41 63.517 -10.589 -2.036 1.00 0.00 O ATOM 616 OD2 ASP A 41 65.484 -11.295 -2.561 1.00 0.00 O ATOM 0 H ASP A 41 64.828 -8.601 -6.156 1.00 0.00 H new ATOM 0 HA ASP A 41 63.123 -10.550 -4.715 1.00 0.00 H new ATOM 0 HB2 ASP A 41 65.630 -9.476 -4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 41 64.627 -8.438 -3.244 1.00 0.00 H new ATOM 621 N ARG A 42 61.220 -9.001 -4.238 1.00 0.00 N ATOM 622 CA ARG A 42 60.103 -8.075 -3.900 1.00 0.00 C ATOM 623 C ARG A 42 59.857 -8.107 -2.389 1.00 0.00 C ATOM 624 O ARG A 42 59.215 -9.001 -1.875 1.00 0.00 O ATOM 625 CB ARG A 42 58.834 -8.519 -4.634 1.00 0.00 C ATOM 626 CG ARG A 42 58.525 -7.535 -5.764 1.00 0.00 C ATOM 627 CD ARG A 42 59.558 -7.697 -6.880 1.00 0.00 C ATOM 628 NE ARG A 42 59.312 -8.977 -7.603 1.00 0.00 N ATOM 629 CZ ARG A 42 58.156 -9.195 -8.169 1.00 0.00 C ATOM 630 NH1 ARG A 42 57.177 -9.712 -7.477 1.00 0.00 N ATOM 631 NH2 ARG A 42 57.979 -8.898 -9.428 1.00 0.00 N ATOM 0 H ARG A 42 60.959 -9.983 -4.323 1.00 0.00 H new ATOM 0 HA ARG A 42 60.363 -7.061 -4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 42 58.968 -9.522 -5.038 1.00 0.00 H new ATOM 0 HB3 ARG A 42 57.996 -8.564 -3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 42 57.523 -7.715 -6.153 1.00 0.00 H new ATOM 0 HG3 ARG A 42 58.541 -6.513 -5.385 1.00 0.00 H new ATOM 0 HD2 ARG A 42 59.495 -6.858 -7.573 1.00 0.00 H new ATOM 0 HD3 ARG A 42 60.565 -7.691 -6.462 1.00 0.00 H new ATOM 0 HE ARG A 42 60.047 -9.683 -7.656 1.00 0.00 H new ATOM 0 HH11 ARG A 42 57.315 -9.946 -6.494 1.00 0.00 H new ATOM 0 HH12 ARG A 42 56.274 -9.882 -7.920 1.00 0.00 H new ATOM 0 HH21 ARG A 42 58.744 -8.496 -9.969 1.00 0.00 H new ATOM 0 HH22 ARG A 42 57.076 -9.068 -9.870 1.00 0.00 H new ATOM 645 N ILE A 43 60.361 -7.138 -1.673 1.00 0.00 N ATOM 646 CA ILE A 43 60.153 -7.118 -0.196 1.00 0.00 C ATOM 647 C ILE A 43 59.295 -5.913 0.186 1.00 0.00 C ATOM 648 O ILE A 43 59.361 -4.868 -0.431 1.00 0.00 O ATOM 649 CB ILE A 43 61.501 -7.019 0.515 1.00 0.00 C ATOM 650 CG1 ILE A 43 62.460 -8.061 -0.063 1.00 0.00 C ATOM 651 CG2 ILE A 43 61.305 -7.281 2.008 1.00 0.00 C ATOM 652 CD1 ILE A 43 63.658 -7.351 -0.691 1.00 0.00 C ATOM 0 H ILE A 43 60.907 -6.361 -2.046 1.00 0.00 H new ATOM 0 HA ILE A 43 59.649 -8.037 0.104 1.00 0.00 H new ATOM 0 HB ILE A 43 61.918 -6.022 0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 43 62.795 -8.739 0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 43 61.949 -8.667 -0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 43 62.265 -7.211 2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 43 60.620 -6.540 2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 43 60.890 -8.279 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 43 64.344 -8.091 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 43 63.313 -6.691 -1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 43 64.173 -6.764 0.070 1.00 0.00 H new ATOM 664 N ARG A 44 58.489 -6.052 1.201 1.00 0.00 N ATOM 665 CA ARG A 44 57.625 -4.914 1.626 1.00 0.00 C ATOM 666 C ARG A 44 57.564 -4.845 3.158 1.00 0.00 C ATOM 667 O ARG A 44 56.864 -4.027 3.721 1.00 0.00 O ATOM 668 CB ARG A 44 56.214 -5.114 1.071 1.00 0.00 C ATOM 669 CG ARG A 44 55.522 -6.236 1.844 1.00 0.00 C ATOM 670 CD ARG A 44 54.243 -6.647 1.111 1.00 0.00 C ATOM 671 NE ARG A 44 53.266 -7.204 2.088 1.00 0.00 N ATOM 672 CZ ARG A 44 52.782 -8.403 1.914 1.00 0.00 C ATOM 673 NH1 ARG A 44 51.701 -8.573 1.203 1.00 0.00 N ATOM 674 NH2 ARG A 44 53.381 -9.433 2.448 1.00 0.00 N ATOM 0 H ARG A 44 58.391 -6.903 1.755 1.00 0.00 H new ATOM 0 HA ARG A 44 58.044 -3.984 1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 44 55.642 -4.190 1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 44 56.260 -5.362 0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 44 56.190 -7.092 1.940 1.00 0.00 H new ATOM 0 HG3 ARG A 44 55.284 -5.903 2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 44 53.812 -5.786 0.600 1.00 0.00 H new ATOM 0 HD3 ARG A 44 54.472 -7.389 0.347 1.00 0.00 H new ATOM 0 HE ARG A 44 52.976 -6.648 2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 44 51.235 -7.769 0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 44 51.322 -9.510 1.067 1.00 0.00 H new ATOM 0 HH21 ARG A 44 54.228 -9.300 3.001 1.00 0.00 H new ATOM 0 HH22 ARG A 44 53.002 -10.370 2.312 1.00 0.00 H new ATOM 688 N SER A 45 58.289 -5.694 3.838 1.00 0.00 N ATOM 689 CA SER A 45 58.264 -5.667 5.328 1.00 0.00 C ATOM 690 C SER A 45 58.786 -4.321 5.816 1.00 0.00 C ATOM 691 O SER A 45 58.026 -3.426 6.124 1.00 0.00 O ATOM 692 CB SER A 45 59.153 -6.785 5.869 1.00 0.00 C ATOM 693 OG SER A 45 59.623 -6.428 7.162 1.00 0.00 O ATOM 0 H SER A 45 58.896 -6.403 3.426 1.00 0.00 H new ATOM 0 HA SER A 45 57.243 -5.811 5.681 1.00 0.00 H new ATOM 0 HB2 SER A 45 58.593 -7.719 5.918 1.00 0.00 H new ATOM 0 HB3 SER A 45 59.995 -6.953 5.197 1.00 0.00 H new ATOM 0 HG SER A 45 59.264 -7.054 7.825 1.00 0.00 H new ATOM 699 N LYS A 46 60.078 -4.179 5.885 1.00 0.00 N ATOM 700 CA LYS A 46 60.678 -2.899 6.350 1.00 0.00 C ATOM 701 C LYS A 46 62.103 -3.176 6.803 1.00 0.00 C ATOM 702 O LYS A 46 63.057 -2.668 6.248 1.00 0.00 O ATOM 703 CB LYS A 46 59.859 -2.336 7.521 1.00 0.00 C ATOM 704 CG LYS A 46 60.689 -1.311 8.301 1.00 0.00 C ATOM 705 CD LYS A 46 59.923 -0.884 9.555 1.00 0.00 C ATOM 706 CE LYS A 46 59.103 0.370 9.249 1.00 0.00 C ATOM 707 NZ LYS A 46 59.111 1.270 10.437 1.00 0.00 N ATOM 0 H LYS A 46 60.752 -4.903 5.636 1.00 0.00 H new ATOM 0 HA LYS A 46 60.677 -2.168 5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 46 58.949 -1.868 7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 46 59.552 -3.146 8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 46 61.651 -1.741 8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 46 60.897 -0.443 7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 46 59.267 -1.689 9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 46 60.619 -0.686 10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 46 59.519 0.887 8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 46 58.079 0.095 8.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 58.554 2.123 10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 58.695 0.774 11.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 60.090 1.542 10.660 1.00 0.00 H new ATOM 721 N VAL A 47 62.253 -3.998 7.796 1.00 0.00 N ATOM 722 CA VAL A 47 63.616 -4.335 8.273 1.00 0.00 C ATOM 723 C VAL A 47 64.035 -5.641 7.610 1.00 0.00 C ATOM 724 O VAL A 47 65.202 -5.969 7.537 1.00 0.00 O ATOM 725 CB VAL A 47 63.613 -4.493 9.792 1.00 0.00 C ATOM 726 CG1 VAL A 47 65.052 -4.638 10.291 1.00 0.00 C ATOM 727 CG2 VAL A 47 62.977 -3.252 10.426 1.00 0.00 C ATOM 0 H VAL A 47 61.490 -4.452 8.299 1.00 0.00 H new ATOM 0 HA VAL A 47 64.316 -3.540 8.015 1.00 0.00 H new ATOM 0 HB VAL A 47 63.042 -5.380 10.068 1.00 0.00 H new ATOM 0 HG11 VAL A 47 65.052 -4.751 11.375 1.00 0.00 H new ATOM 0 HG12 VAL A 47 65.508 -5.516 9.835 1.00 0.00 H new ATOM 0 HG13 VAL A 47 65.623 -3.750 10.019 1.00 0.00 H new ATOM 0 HG21 VAL A 47 62.972 -3.359 11.511 1.00 0.00 H new ATOM 0 HG22 VAL A 47 63.552 -2.368 10.151 1.00 0.00 H new ATOM 0 HG23 VAL A 47 61.953 -3.144 10.068 1.00 0.00 H new ATOM 737 N GLU A 48 63.083 -6.378 7.102 1.00 0.00 N ATOM 738 CA GLU A 48 63.415 -7.652 6.418 1.00 0.00 C ATOM 739 C GLU A 48 64.038 -7.318 5.068 1.00 0.00 C ATOM 740 O GLU A 48 64.895 -8.024 4.574 1.00 0.00 O ATOM 741 CB GLU A 48 62.140 -8.470 6.206 1.00 0.00 C ATOM 742 CG GLU A 48 61.422 -8.644 7.546 1.00 0.00 C ATOM 743 CD GLU A 48 60.128 -9.431 7.335 1.00 0.00 C ATOM 744 OE1 GLU A 48 60.190 -10.483 6.720 1.00 0.00 O ATOM 745 OE2 GLU A 48 59.095 -8.969 7.792 1.00 0.00 O ATOM 0 H GLU A 48 62.090 -6.148 7.134 1.00 0.00 H new ATOM 0 HA GLU A 48 64.110 -8.234 7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 48 61.486 -7.968 5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 48 62.385 -9.444 5.783 1.00 0.00 H new ATOM 0 HG2 GLU A 48 62.068 -9.168 8.251 1.00 0.00 H new ATOM 0 HG3 GLU A 48 61.200 -7.669 7.981 1.00 0.00 H new ATOM 752 N LEU A 49 63.624 -6.232 4.469 1.00 0.00 N ATOM 753 CA LEU A 49 64.210 -5.852 3.159 1.00 0.00 C ATOM 754 C LEU A 49 65.572 -5.204 3.408 1.00 0.00 C ATOM 755 O LEU A 49 66.474 -5.293 2.599 1.00 0.00 O ATOM 756 CB LEU A 49 63.273 -4.873 2.449 1.00 0.00 C ATOM 757 CG LEU A 49 63.386 -3.489 3.083 1.00 0.00 C ATOM 758 CD1 LEU A 49 64.283 -2.602 2.219 1.00 0.00 C ATOM 759 CD2 LEU A 49 61.992 -2.871 3.176 1.00 0.00 C ATOM 0 H LEU A 49 62.911 -5.599 4.830 1.00 0.00 H new ATOM 0 HA LEU A 49 64.336 -6.731 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 49 63.525 -4.819 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 49 62.245 -5.229 2.514 1.00 0.00 H new ATOM 0 HG LEU A 49 63.819 -3.574 4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 49 64.363 -1.614 2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 49 65.274 -3.049 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 49 63.852 -2.510 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 49 62.062 -1.882 3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 49 61.565 -2.784 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 49 61.353 -3.506 3.790 1.00 0.00 H new ATOM 771 N THR A 50 65.727 -4.568 4.539 1.00 0.00 N ATOM 772 CA THR A 50 67.029 -3.926 4.864 1.00 0.00 C ATOM 773 C THR A 50 68.062 -5.024 5.132 1.00 0.00 C ATOM 774 O THR A 50 69.140 -5.025 4.572 1.00 0.00 O ATOM 775 CB THR A 50 66.855 -3.010 6.094 1.00 0.00 C ATOM 776 OG1 THR A 50 67.579 -1.807 5.883 1.00 0.00 O ATOM 777 CG2 THR A 50 67.366 -3.686 7.374 1.00 0.00 C ATOM 0 H THR A 50 65.005 -4.467 5.252 1.00 0.00 H new ATOM 0 HA THR A 50 67.375 -3.313 4.032 1.00 0.00 H new ATOM 0 HB THR A 50 65.792 -2.802 6.218 1.00 0.00 H new ATOM 0 HG1 THR A 50 68.478 -2.019 5.556 1.00 0.00 H new ATOM 0 HG21 THR A 50 67.228 -3.013 8.221 1.00 0.00 H new ATOM 0 HG22 THR A 50 66.808 -4.606 7.547 1.00 0.00 H new ATOM 0 HG23 THR A 50 68.425 -3.919 7.264 1.00 0.00 H new ATOM 785 N ARG A 51 67.732 -5.967 5.973 1.00 0.00 N ATOM 786 CA ARG A 51 68.691 -7.067 6.255 1.00 0.00 C ATOM 787 C ARG A 51 68.995 -7.789 4.944 1.00 0.00 C ATOM 788 O ARG A 51 70.071 -8.318 4.747 1.00 0.00 O ATOM 789 CB ARG A 51 68.083 -8.048 7.263 1.00 0.00 C ATOM 790 CG ARG A 51 66.594 -8.241 6.970 1.00 0.00 C ATOM 791 CD ARG A 51 66.303 -9.729 6.769 1.00 0.00 C ATOM 792 NE ARG A 51 66.556 -10.457 8.044 1.00 0.00 N ATOM 793 CZ ARG A 51 66.720 -11.751 8.035 1.00 0.00 C ATOM 794 NH1 ARG A 51 67.813 -12.267 7.541 1.00 0.00 N ATOM 795 NH2 ARG A 51 65.792 -12.530 8.520 1.00 0.00 N ATOM 0 H ARG A 51 66.845 -6.021 6.473 1.00 0.00 H new ATOM 0 HA ARG A 51 69.609 -6.661 6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 51 68.600 -9.006 7.208 1.00 0.00 H new ATOM 0 HB3 ARG A 51 68.217 -7.671 8.277 1.00 0.00 H new ATOM 0 HG2 ARG A 51 65.997 -7.851 7.794 1.00 0.00 H new ATOM 0 HG3 ARG A 51 66.312 -7.681 6.079 1.00 0.00 H new ATOM 0 HD2 ARG A 51 65.269 -9.870 6.456 1.00 0.00 H new ATOM 0 HD3 ARG A 51 66.934 -10.131 5.976 1.00 0.00 H new ATOM 0 HE ARG A 51 66.601 -9.943 8.924 1.00 0.00 H new ATOM 0 HH11 ARG A 51 68.538 -11.658 7.162 1.00 0.00 H new ATOM 0 HH12 ARG A 51 67.941 -13.279 7.534 1.00 0.00 H new ATOM 0 HH21 ARG A 51 64.938 -12.127 8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 51 65.920 -13.542 8.513 1.00 0.00 H new ATOM 809 N TYR A 52 68.055 -7.802 4.036 1.00 0.00 N ATOM 810 CA TYR A 52 68.293 -8.474 2.730 1.00 0.00 C ATOM 811 C TYR A 52 69.531 -7.856 2.079 1.00 0.00 C ATOM 812 O TYR A 52 70.489 -8.539 1.774 1.00 0.00 O ATOM 813 CB TYR A 52 67.081 -8.273 1.816 1.00 0.00 C ATOM 814 CG TYR A 52 67.436 -8.688 0.407 1.00 0.00 C ATOM 815 CD1 TYR A 52 67.744 -10.025 0.128 1.00 0.00 C ATOM 816 CD2 TYR A 52 67.461 -7.735 -0.619 1.00 0.00 C ATOM 817 CE1 TYR A 52 68.075 -10.409 -1.177 1.00 0.00 C ATOM 818 CE2 TYR A 52 67.793 -8.120 -1.924 1.00 0.00 C ATOM 819 CZ TYR A 52 68.100 -9.457 -2.202 1.00 0.00 C ATOM 820 OH TYR A 52 68.427 -9.838 -3.488 1.00 0.00 O ATOM 0 H TYR A 52 67.134 -7.376 4.144 1.00 0.00 H new ATOM 0 HA TYR A 52 68.446 -9.542 2.887 1.00 0.00 H new ATOM 0 HB2 TYR A 52 66.238 -8.862 2.178 1.00 0.00 H new ATOM 0 HB3 TYR A 52 66.770 -7.228 1.831 1.00 0.00 H new ATOM 0 HD1 TYR A 52 67.726 -10.760 0.919 1.00 0.00 H new ATOM 0 HD2 TYR A 52 67.224 -6.703 -0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 52 68.311 -11.441 -1.393 1.00 0.00 H new ATOM 0 HE2 TYR A 52 67.812 -7.386 -2.716 1.00 0.00 H new ATOM 0 HH TYR A 52 68.153 -10.767 -3.634 1.00 0.00 H new ATOM 830 N LEU A 53 69.525 -6.566 1.871 1.00 0.00 N ATOM 831 CA LEU A 53 70.714 -5.915 1.248 1.00 0.00 C ATOM 832 C LEU A 53 71.924 -6.103 2.164 1.00 0.00 C ATOM 833 O LEU A 53 73.024 -6.357 1.716 1.00 0.00 O ATOM 834 CB LEU A 53 70.454 -4.418 1.064 1.00 0.00 C ATOM 835 CG LEU A 53 68.990 -4.188 0.694 1.00 0.00 C ATOM 836 CD1 LEU A 53 68.255 -3.583 1.890 1.00 0.00 C ATOM 837 CD2 LEU A 53 68.912 -3.223 -0.491 1.00 0.00 C ATOM 0 H LEU A 53 68.755 -5.939 2.103 1.00 0.00 H new ATOM 0 HA LEU A 53 70.904 -6.369 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.695 -3.882 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.103 -4.020 0.283 1.00 0.00 H new ATOM 0 HG LEU A 53 68.528 -5.137 0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 53 67.210 -3.418 1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 53 68.314 -4.267 2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 53 68.717 -2.633 2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 53 67.868 -3.057 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 53 69.372 -2.273 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 53 69.440 -3.650 -1.343 1.00 0.00 H new ATOM 849 N GLY A 54 71.726 -5.973 3.447 1.00 0.00 N ATOM 850 CA GLY A 54 72.858 -6.135 4.401 1.00 0.00 C ATOM 851 C GLY A 54 72.927 -4.907 5.312 1.00 0.00 C ATOM 852 O GLY A 54 71.953 -4.197 5.464 1.00 0.00 O ATOM 0 H GLY A 54 70.826 -5.761 3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 54 72.721 -7.038 4.997 1.00 0.00 H new ATOM 0 HA3 GLY A 54 73.795 -6.252 3.856 1.00 0.00 H new ATOM 856 N PRO A 55 74.080 -4.693 5.888 1.00 0.00 N ATOM 857 CA PRO A 55 74.312 -3.553 6.791 1.00 0.00 C ATOM 858 C PRO A 55 74.512 -2.267 5.983 1.00 0.00 C ATOM 859 O PRO A 55 74.590 -1.184 6.528 1.00 0.00 O ATOM 860 CB PRO A 55 75.595 -3.940 7.533 1.00 0.00 C ATOM 861 CG PRO A 55 76.321 -4.973 6.638 1.00 0.00 C ATOM 862 CD PRO A 55 75.256 -5.564 5.695 1.00 0.00 C ATOM 0 HA PRO A 55 73.478 -3.360 7.466 1.00 0.00 H new ATOM 0 HB2 PRO A 55 76.223 -3.066 7.705 1.00 0.00 H new ATOM 0 HB3 PRO A 55 75.366 -4.365 8.510 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.121 -4.499 6.070 1.00 0.00 H new ATOM 0 HG3 PRO A 55 76.780 -5.755 7.243 1.00 0.00 H new ATOM 0 HD2 PRO A 55 75.593 -5.555 4.658 1.00 0.00 H new ATOM 0 HD3 PRO A 55 75.030 -6.600 5.948 1.00 0.00 H new ATOM 870 N ALA A 56 74.595 -2.379 4.685 1.00 0.00 N ATOM 871 CA ALA A 56 74.790 -1.166 3.841 1.00 0.00 C ATOM 872 C ALA A 56 73.478 -0.381 3.760 1.00 0.00 C ATOM 873 O ALA A 56 73.449 0.753 3.323 1.00 0.00 O ATOM 874 CB ALA A 56 75.217 -1.589 2.434 1.00 0.00 C ATOM 0 H ALA A 56 74.536 -3.259 4.172 1.00 0.00 H new ATOM 0 HA ALA A 56 75.562 -0.537 4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 56 75.360 -0.703 1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 56 76.151 -2.147 2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 56 74.444 -2.218 1.993 1.00 0.00 H new ATOM 880 N CYS A 57 72.393 -0.974 4.177 1.00 0.00 N ATOM 881 CA CYS A 57 71.085 -0.260 4.122 1.00 0.00 C ATOM 882 C CYS A 57 70.294 -0.543 5.401 1.00 0.00 C ATOM 883 O CYS A 57 70.164 -1.674 5.825 1.00 0.00 O ATOM 884 CB CYS A 57 70.287 -0.754 2.914 1.00 0.00 C ATOM 885 SG CYS A 57 71.043 -0.128 1.393 1.00 0.00 S ATOM 0 H CYS A 57 72.355 -1.921 4.553 1.00 0.00 H new ATOM 0 HA CYS A 57 71.260 0.812 4.032 1.00 0.00 H new ATOM 0 HB2 CYS A 57 70.265 -1.844 2.900 1.00 0.00 H new ATOM 0 HB3 CYS A 57 69.253 -0.416 2.985 1.00 0.00 H new ATOM 0 HG CYS A 57 72.177 0.441 1.675 1.00 0.00 H new ATOM 891 N ASP A 58 69.761 0.476 6.019 1.00 0.00 N ATOM 892 CA ASP A 58 68.977 0.262 7.268 1.00 0.00 C ATOM 893 C ASP A 58 67.543 0.756 7.063 1.00 0.00 C ATOM 894 O ASP A 58 67.280 1.598 6.228 1.00 0.00 O ATOM 895 CB ASP A 58 69.625 1.040 8.415 1.00 0.00 C ATOM 896 CG ASP A 58 68.805 0.848 9.692 1.00 0.00 C ATOM 897 OD1 ASP A 58 68.316 -0.250 9.898 1.00 0.00 O ATOM 898 OD2 ASP A 58 68.680 1.802 10.441 1.00 0.00 O ATOM 0 H ASP A 58 69.835 1.446 5.713 1.00 0.00 H new ATOM 0 HA ASP A 58 68.963 -0.801 7.510 1.00 0.00 H new ATOM 0 HB2 ASP A 58 70.647 0.694 8.571 1.00 0.00 H new ATOM 0 HB3 ASP A 58 69.682 2.099 8.163 1.00 0.00 H new ATOM 903 N LEU A 59 66.611 0.236 7.817 1.00 0.00 N ATOM 904 CA LEU A 59 65.196 0.672 7.661 1.00 0.00 C ATOM 905 C LEU A 59 64.477 0.585 9.006 1.00 0.00 C ATOM 906 O LEU A 59 63.264 0.595 9.073 1.00 0.00 O ATOM 907 CB LEU A 59 64.496 -0.237 6.655 1.00 0.00 C ATOM 908 CG LEU A 59 64.694 0.324 5.251 1.00 0.00 C ATOM 909 CD1 LEU A 59 65.750 -0.499 4.515 1.00 0.00 C ATOM 910 CD2 LEU A 59 63.369 0.257 4.489 1.00 0.00 C ATOM 0 H LEU A 59 66.770 -0.472 8.534 1.00 0.00 H new ATOM 0 HA LEU A 59 65.173 1.702 7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 59 64.901 -1.247 6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 59 63.433 -0.305 6.886 1.00 0.00 H new ATOM 0 HG LEU A 59 65.026 1.360 5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 59 65.890 -0.097 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 59 66.693 -0.452 5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 59 65.421 -1.536 4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 59 63.506 0.657 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 59 63.038 -0.780 4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 59 62.617 0.846 5.014 1.00 0.00 H new ATOM 922 N THR A 60 65.212 0.498 10.077 1.00 0.00 N ATOM 923 CA THR A 60 64.565 0.410 11.414 1.00 0.00 C ATOM 924 C THR A 60 63.632 1.609 11.608 1.00 0.00 C ATOM 925 O THR A 60 62.572 1.496 12.190 1.00 0.00 O ATOM 926 CB THR A 60 65.641 0.419 12.501 1.00 0.00 C ATOM 927 OG1 THR A 60 66.662 -0.509 12.163 1.00 0.00 O ATOM 928 CG2 THR A 60 65.016 0.027 13.839 1.00 0.00 C ATOM 0 H THR A 60 66.232 0.484 10.085 1.00 0.00 H new ATOM 0 HA THR A 60 63.989 -0.513 11.481 1.00 0.00 H new ATOM 0 HB THR A 60 66.070 1.418 12.581 1.00 0.00 H new ATOM 0 HG1 THR A 60 67.208 -0.144 11.436 1.00 0.00 H new ATOM 0 HG21 THR A 60 65.782 0.033 14.614 1.00 0.00 H new ATOM 0 HG22 THR A 60 64.233 0.740 14.097 1.00 0.00 H new ATOM 0 HG23 THR A 60 64.587 -0.972 13.761 1.00 0.00 H new ATOM 936 N LEU A 61 64.024 2.758 11.129 1.00 0.00 N ATOM 937 CA LEU A 61 63.169 3.968 11.289 1.00 0.00 C ATOM 938 C LEU A 61 62.601 4.383 9.932 1.00 0.00 C ATOM 939 O LEU A 61 62.012 5.436 9.792 1.00 0.00 O ATOM 940 CB LEU A 61 64.021 5.108 11.851 1.00 0.00 C ATOM 941 CG LEU A 61 64.215 4.916 13.358 1.00 0.00 C ATOM 942 CD1 LEU A 61 62.958 5.382 14.091 1.00 0.00 C ATOM 943 CD2 LEU A 61 64.468 3.435 13.670 1.00 0.00 C ATOM 0 H LEU A 61 64.902 2.911 10.633 1.00 0.00 H new ATOM 0 HA LEU A 61 62.347 3.746 11.969 1.00 0.00 H new ATOM 0 HB2 LEU A 61 64.989 5.132 11.351 1.00 0.00 H new ATOM 0 HB3 LEU A 61 63.538 6.066 11.656 1.00 0.00 H new ATOM 0 HG LEU A 61 65.074 5.501 13.687 1.00 0.00 H new ATOM 0 HD11 LEU A 61 63.092 5.247 15.164 1.00 0.00 H new ATOM 0 HD12 LEU A 61 62.782 6.436 13.877 1.00 0.00 H new ATOM 0 HD13 LEU A 61 62.103 4.796 13.755 1.00 0.00 H new ATOM 0 HD21 LEU A 61 64.605 3.308 14.744 1.00 0.00 H new ATOM 0 HD22 LEU A 61 63.614 2.843 13.340 1.00 0.00 H new ATOM 0 HD23 LEU A 61 65.365 3.101 13.148 1.00 0.00 H new ATOM 955 N PHE A 62 62.778 3.570 8.931 1.00 0.00 N ATOM 956 CA PHE A 62 62.254 3.926 7.584 1.00 0.00 C ATOM 957 C PHE A 62 60.729 3.829 7.572 1.00 0.00 C ATOM 958 O PHE A 62 60.152 2.864 8.032 1.00 0.00 O ATOM 959 CB PHE A 62 62.833 2.968 6.541 1.00 0.00 C ATOM 960 CG PHE A 62 62.122 3.170 5.225 1.00 0.00 C ATOM 961 CD1 PHE A 62 62.369 4.320 4.468 1.00 0.00 C ATOM 962 CD2 PHE A 62 61.216 2.208 4.764 1.00 0.00 C ATOM 963 CE1 PHE A 62 61.709 4.509 3.248 1.00 0.00 C ATOM 964 CE2 PHE A 62 60.557 2.397 3.544 1.00 0.00 C ATOM 965 CZ PHE A 62 60.803 3.547 2.786 1.00 0.00 C ATOM 0 H PHE A 62 63.263 2.674 8.986 1.00 0.00 H new ATOM 0 HA PHE A 62 62.548 4.948 7.347 1.00 0.00 H new ATOM 0 HB2 PHE A 62 63.902 3.147 6.421 1.00 0.00 H new ATOM 0 HB3 PHE A 62 62.718 1.937 6.875 1.00 0.00 H new ATOM 0 HD1 PHE A 62 63.068 5.062 4.825 1.00 0.00 H new ATOM 0 HD2 PHE A 62 61.026 1.321 5.349 1.00 0.00 H new ATOM 0 HE1 PHE A 62 61.899 5.397 2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 62 59.858 1.655 3.187 1.00 0.00 H new ATOM 0 HZ PHE A 62 60.294 3.692 1.845 1.00 0.00 H new ATOM 975 N ASP A 63 60.074 4.820 7.033 1.00 0.00 N ATOM 976 CA ASP A 63 58.588 4.786 6.971 1.00 0.00 C ATOM 977 C ASP A 63 58.170 4.052 5.698 1.00 0.00 C ATOM 978 O ASP A 63 58.199 4.604 4.616 1.00 0.00 O ATOM 979 CB ASP A 63 58.042 6.214 6.941 1.00 0.00 C ATOM 980 CG ASP A 63 56.581 6.209 7.395 1.00 0.00 C ATOM 981 OD1 ASP A 63 56.312 5.662 8.452 1.00 0.00 O ATOM 982 OD2 ASP A 63 55.757 6.752 6.678 1.00 0.00 O ATOM 0 H ASP A 63 60.506 5.653 6.632 1.00 0.00 H new ATOM 0 HA ASP A 63 58.191 4.272 7.846 1.00 0.00 H new ATOM 0 HB2 ASP A 63 58.635 6.856 7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 63 58.120 6.624 5.934 1.00 0.00 H new ATOM 987 N PHE A 64 57.797 2.808 5.814 1.00 0.00 N ATOM 988 CA PHE A 64 57.396 2.040 4.604 1.00 0.00 C ATOM 989 C PHE A 64 56.111 2.636 4.027 1.00 0.00 C ATOM 990 O PHE A 64 55.061 2.023 4.053 1.00 0.00 O ATOM 991 CB PHE A 64 57.166 0.577 4.982 1.00 0.00 C ATOM 992 CG PHE A 64 57.758 -0.310 3.915 1.00 0.00 C ATOM 993 CD1 PHE A 64 57.533 -0.029 2.563 1.00 0.00 C ATOM 994 CD2 PHE A 64 58.542 -1.410 4.280 1.00 0.00 C ATOM 995 CE1 PHE A 64 58.093 -0.850 1.576 1.00 0.00 C ATOM 996 CE2 PHE A 64 59.101 -2.230 3.295 1.00 0.00 C ATOM 997 CZ PHE A 64 58.876 -1.950 1.942 1.00 0.00 C ATOM 0 H PHE A 64 57.753 2.291 6.692 1.00 0.00 H new ATOM 0 HA PHE A 64 58.186 2.096 3.855 1.00 0.00 H new ATOM 0 HB2 PHE A 64 57.625 0.362 5.947 1.00 0.00 H new ATOM 0 HB3 PHE A 64 56.099 0.379 5.086 1.00 0.00 H new ATOM 0 HD1 PHE A 64 56.928 0.820 2.281 1.00 0.00 H new ATOM 0 HD2 PHE A 64 58.716 -1.626 5.324 1.00 0.00 H new ATOM 0 HE1 PHE A 64 57.920 -0.634 0.532 1.00 0.00 H new ATOM 0 HE2 PHE A 64 59.706 -3.079 3.578 1.00 0.00 H new ATOM 0 HZ PHE A 64 59.307 -2.583 1.181 1.00 0.00 H new ATOM 1007 N LYS A 65 56.190 3.829 3.508 1.00 0.00 N ATOM 1008 CA LYS A 65 54.983 4.480 2.927 1.00 0.00 C ATOM 1009 C LYS A 65 55.347 5.899 2.487 1.00 0.00 C ATOM 1010 O LYS A 65 54.936 6.361 1.441 1.00 0.00 O ATOM 1011 CB LYS A 65 53.873 4.539 3.979 1.00 0.00 C ATOM 1012 CG LYS A 65 52.720 5.397 3.455 1.00 0.00 C ATOM 1013 CD LYS A 65 52.848 6.820 4.003 1.00 0.00 C ATOM 1014 CE LYS A 65 52.064 6.936 5.311 1.00 0.00 C ATOM 1015 NZ LYS A 65 52.499 8.160 6.041 1.00 0.00 N ATOM 0 H LYS A 65 57.044 4.385 3.461 1.00 0.00 H new ATOM 0 HA LYS A 65 54.632 3.906 2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 65 53.518 3.534 4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 65 54.259 4.958 4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 65 52.732 5.414 2.365 1.00 0.00 H new ATOM 0 HG3 LYS A 65 51.766 4.965 3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 65 53.897 7.063 4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 65 52.469 7.537 3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 65 50.995 6.983 5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 65 52.231 6.053 5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 51.967 8.241 6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 53.516 8.097 6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 52.318 8.998 5.452 1.00 0.00 H new ATOM 1029 N GLN A 66 56.122 6.592 3.277 1.00 0.00 N ATOM 1030 CA GLN A 66 56.520 7.978 2.905 1.00 0.00 C ATOM 1031 C GLN A 66 57.838 7.932 2.131 1.00 0.00 C ATOM 1032 O GLN A 66 58.122 8.789 1.317 1.00 0.00 O ATOM 1033 CB GLN A 66 56.700 8.817 4.173 1.00 0.00 C ATOM 1034 CG GLN A 66 55.605 9.882 4.241 1.00 0.00 C ATOM 1035 CD GLN A 66 56.186 11.177 4.814 1.00 0.00 C ATOM 1036 OE1 GLN A 66 55.872 12.255 4.350 1.00 0.00 O ATOM 1037 NE2 GLN A 66 57.027 11.115 5.809 1.00 0.00 N ATOM 0 H GLN A 66 56.497 6.257 4.165 1.00 0.00 H new ATOM 0 HA GLN A 66 55.745 8.427 2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 66 56.655 8.177 5.054 1.00 0.00 H new ATOM 0 HB3 GLN A 66 57.682 9.290 4.172 1.00 0.00 H new ATOM 0 HG2 GLN A 66 55.197 10.063 3.247 1.00 0.00 H new ATOM 0 HG3 GLN A 66 54.782 9.533 4.865 1.00 0.00 H new ATOM 0 HE21 GLN A 66 57.290 10.210 6.198 1.00 0.00 H new ATOM 0 HE22 GLN A 66 57.421 11.972 6.198 1.00 0.00 H new ATOM 1046 N GLY A 67 58.645 6.936 2.377 1.00 0.00 N ATOM 1047 CA GLY A 67 59.945 6.830 1.654 1.00 0.00 C ATOM 1048 C GLY A 67 61.035 7.554 2.445 1.00 0.00 C ATOM 1049 O GLY A 67 61.948 8.123 1.881 1.00 0.00 O ATOM 0 H GLY A 67 58.460 6.190 3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 67 60.214 5.782 1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 67 59.855 7.265 0.658 1.00 0.00 H new ATOM 1053 N ILE A 68 60.953 7.538 3.748 1.00 0.00 N ATOM 1054 CA ILE A 68 61.992 8.229 4.564 1.00 0.00 C ATOM 1055 C ILE A 68 62.326 7.386 5.799 1.00 0.00 C ATOM 1056 O ILE A 68 61.709 6.372 6.058 1.00 0.00 O ATOM 1057 CB ILE A 68 61.466 9.594 5.010 1.00 0.00 C ATOM 1058 CG1 ILE A 68 60.278 9.394 5.954 1.00 0.00 C ATOM 1059 CG2 ILE A 68 61.017 10.395 3.788 1.00 0.00 C ATOM 1060 CD1 ILE A 68 60.790 9.166 7.377 1.00 0.00 C ATOM 0 H ILE A 68 60.215 7.078 4.281 1.00 0.00 H new ATOM 0 HA ILE A 68 62.891 8.361 3.962 1.00 0.00 H new ATOM 0 HB ILE A 68 62.257 10.138 5.527 1.00 0.00 H new ATOM 0 HG12 ILE A 68 59.627 10.268 5.926 1.00 0.00 H new ATOM 0 HG13 ILE A 68 59.682 8.541 5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 68 60.642 11.367 4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 68 61.862 10.535 3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 68 60.226 9.854 3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 68 59.944 9.024 8.050 1.00 0.00 H new ATOM 0 HD12 ILE A 68 61.424 8.279 7.398 1.00 0.00 H new ATOM 0 HD13 ILE A 68 61.368 10.032 7.699 1.00 0.00 H new ATOM 1072 N LEU A 69 63.298 7.806 6.566 1.00 0.00 N ATOM 1073 CA LEU A 69 63.675 7.042 7.789 1.00 0.00 C ATOM 1074 C LEU A 69 64.346 7.986 8.787 1.00 0.00 C ATOM 1075 O LEU A 69 64.319 9.191 8.633 1.00 0.00 O ATOM 1076 CB LEU A 69 64.657 5.927 7.420 1.00 0.00 C ATOM 1077 CG LEU A 69 65.938 6.541 6.858 1.00 0.00 C ATOM 1078 CD1 LEU A 69 67.152 5.912 7.542 1.00 0.00 C ATOM 1079 CD2 LEU A 69 66.006 6.273 5.355 1.00 0.00 C ATOM 0 H LEU A 69 63.848 8.648 6.396 1.00 0.00 H new ATOM 0 HA LEU A 69 62.779 6.607 8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 69 64.885 5.324 8.299 1.00 0.00 H new ATOM 0 HB3 LEU A 69 64.207 5.261 6.684 1.00 0.00 H new ATOM 0 HG LEU A 69 65.938 7.616 7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 69 68.065 6.351 7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 69 67.102 6.098 8.615 1.00 0.00 H new ATOM 0 HD13 LEU A 69 67.156 4.837 7.360 1.00 0.00 H new ATOM 0 HD21 LEU A 69 66.919 6.709 4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 69 66.007 5.198 5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 69 65.141 6.721 4.866 1.00 0.00 H new ATOM 1091 N CYS A 70 64.954 7.446 9.807 1.00 0.00 N ATOM 1092 CA CYS A 70 65.634 8.310 10.812 1.00 0.00 C ATOM 1093 C CYS A 70 66.656 7.475 11.587 1.00 0.00 C ATOM 1094 O CYS A 70 66.863 6.311 11.303 1.00 0.00 O ATOM 1095 CB CYS A 70 64.598 8.885 11.781 1.00 0.00 C ATOM 1096 SG CYS A 70 63.866 10.377 11.064 1.00 0.00 S ATOM 0 H CYS A 70 65.009 6.444 9.988 1.00 0.00 H new ATOM 0 HA CYS A 70 66.143 9.129 10.304 1.00 0.00 H new ATOM 0 HB2 CYS A 70 63.822 8.146 11.981 1.00 0.00 H new ATOM 0 HB3 CYS A 70 65.068 9.120 12.736 1.00 0.00 H new ATOM 0 HG CYS A 70 63.993 10.344 9.771 1.00 0.00 H new ATOM 1102 N TYR A 71 67.296 8.056 12.564 1.00 0.00 N ATOM 1103 CA TYR A 71 68.302 7.288 13.352 1.00 0.00 C ATOM 1104 C TYR A 71 68.646 8.055 14.632 1.00 0.00 C ATOM 1105 O TYR A 71 68.677 9.270 14.636 1.00 0.00 O ATOM 1106 CB TYR A 71 69.571 7.102 12.517 1.00 0.00 C ATOM 1107 CG TYR A 71 70.102 8.453 12.099 1.00 0.00 C ATOM 1108 CD1 TYR A 71 70.785 9.253 13.024 1.00 0.00 C ATOM 1109 CD2 TYR A 71 69.912 8.905 10.788 1.00 0.00 C ATOM 1110 CE1 TYR A 71 71.276 10.506 12.636 1.00 0.00 C ATOM 1111 CE2 TYR A 71 70.404 10.157 10.401 1.00 0.00 C ATOM 1112 CZ TYR A 71 71.086 10.958 11.325 1.00 0.00 C ATOM 1113 OH TYR A 71 71.569 12.193 10.944 1.00 0.00 O ATOM 0 H TYR A 71 67.167 9.026 12.851 1.00 0.00 H new ATOM 0 HA TYR A 71 67.889 6.313 13.612 1.00 0.00 H new ATOM 0 HB2 TYR A 71 70.324 6.566 13.095 1.00 0.00 H new ATOM 0 HB3 TYR A 71 69.354 6.496 11.637 1.00 0.00 H new ATOM 0 HD1 TYR A 71 70.933 8.904 14.035 1.00 0.00 H new ATOM 0 HD2 TYR A 71 69.386 8.288 10.075 1.00 0.00 H new ATOM 0 HE1 TYR A 71 71.802 11.124 13.349 1.00 0.00 H new ATOM 0 HE2 TYR A 71 70.257 10.505 9.389 1.00 0.00 H new ATOM 0 HH TYR A 71 71.353 12.352 10.001 1.00 0.00 H new ATOM 1123 N PRO A 72 68.901 7.317 15.683 1.00 0.00 N ATOM 1124 CA PRO A 72 69.256 7.894 16.991 1.00 0.00 C ATOM 1125 C PRO A 72 70.721 8.340 16.990 1.00 0.00 C ATOM 1126 O PRO A 72 71.599 7.613 16.570 1.00 0.00 O ATOM 1127 CB PRO A 72 69.037 6.735 17.966 1.00 0.00 C ATOM 1128 CG PRO A 72 69.126 5.437 17.127 1.00 0.00 C ATOM 1129 CD PRO A 72 68.859 5.840 15.665 1.00 0.00 C ATOM 0 HA PRO A 72 68.668 8.775 17.249 1.00 0.00 H new ATOM 0 HB2 PRO A 72 69.791 6.741 18.753 1.00 0.00 H new ATOM 0 HB3 PRO A 72 68.066 6.816 18.454 1.00 0.00 H new ATOM 0 HG2 PRO A 72 70.109 4.976 17.229 1.00 0.00 H new ATOM 0 HG3 PRO A 72 68.394 4.705 17.467 1.00 0.00 H new ATOM 0 HD2 PRO A 72 69.613 5.428 14.994 1.00 0.00 H new ATOM 0 HD3 PRO A 72 67.892 5.473 15.321 1.00 0.00 H new ATOM 1137 N ALA A 73 70.992 9.528 17.454 1.00 0.00 N ATOM 1138 CA ALA A 73 72.401 10.014 17.473 1.00 0.00 C ATOM 1139 C ALA A 73 72.655 10.807 18.758 1.00 0.00 C ATOM 1140 O ALA A 73 72.916 11.993 18.710 1.00 0.00 O ATOM 1141 CB ALA A 73 72.644 10.914 16.261 1.00 0.00 C ATOM 0 H ALA A 73 70.301 10.183 17.820 1.00 0.00 H new ATOM 0 HA ALA A 73 73.079 9.161 17.436 1.00 0.00 H new ATOM 0 HB1 ALA A 73 73.674 11.270 16.273 1.00 0.00 H new ATOM 0 HB2 ALA A 73 72.467 10.348 15.346 1.00 0.00 H new ATOM 0 HB3 ALA A 73 71.965 11.766 16.298 1.00 0.00 H new ATOM 1147 N PRO A 74 72.573 10.124 19.872 1.00 0.00 N ATOM 1148 CA PRO A 74 72.792 10.733 21.195 1.00 0.00 C ATOM 1149 C PRO A 74 74.291 10.901 21.457 1.00 0.00 C ATOM 1150 O PRO A 74 75.057 9.964 21.353 1.00 0.00 O ATOM 1151 CB PRO A 74 72.177 9.719 22.163 1.00 0.00 C ATOM 1152 CG PRO A 74 72.158 8.362 21.419 1.00 0.00 C ATOM 1153 CD PRO A 74 72.254 8.682 19.915 1.00 0.00 C ATOM 0 HA PRO A 74 72.352 11.725 21.292 1.00 0.00 H new ATOM 0 HB2 PRO A 74 72.763 9.652 23.079 1.00 0.00 H new ATOM 0 HB3 PRO A 74 71.169 10.018 22.451 1.00 0.00 H new ATOM 0 HG2 PRO A 74 72.992 7.735 21.736 1.00 0.00 H new ATOM 0 HG3 PRO A 74 71.243 7.812 21.640 1.00 0.00 H new ATOM 0 HD2 PRO A 74 73.029 8.088 19.430 1.00 0.00 H new ATOM 0 HD3 PRO A 74 71.317 8.466 19.401 1.00 0.00 H new ATOM 1161 N LYS A 75 74.716 12.088 21.792 1.00 0.00 N ATOM 1162 CA LYS A 75 76.166 12.311 22.055 1.00 0.00 C ATOM 1163 C LYS A 75 76.360 13.666 22.737 1.00 0.00 C ATOM 1164 O LYS A 75 75.503 14.519 22.573 1.00 0.00 O ATOM 1165 CB LYS A 75 76.935 12.291 20.731 1.00 0.00 C ATOM 1166 CG LYS A 75 76.041 12.827 19.610 1.00 0.00 C ATOM 1167 CD LYS A 75 76.832 13.815 18.752 1.00 0.00 C ATOM 1168 CE LYS A 75 76.119 15.169 18.743 1.00 0.00 C ATOM 1169 NZ LYS A 75 74.820 15.039 18.024 1.00 0.00 N ATOM 1170 OXT LYS A 75 77.363 13.828 23.414 1.00 0.00 O ATOM 0 H LYS A 75 74.123 12.912 21.895 1.00 0.00 H new ATOM 0 HA LYS A 75 76.542 11.521 22.705 1.00 0.00 H new ATOM 0 HB2 LYS A 75 77.836 12.899 20.813 1.00 0.00 H new ATOM 0 HB3 LYS A 75 77.255 11.275 20.500 1.00 0.00 H new ATOM 0 HG2 LYS A 75 75.679 12.003 18.994 1.00 0.00 H new ATOM 0 HG3 LYS A 75 75.164 13.318 20.033 1.00 0.00 H new ATOM 0 HD2 LYS A 75 77.842 13.927 19.145 1.00 0.00 H new ATOM 0 HD3 LYS A 75 76.926 13.435 17.735 1.00 0.00 H new ATOM 0 HE2 LYS A 75 75.950 15.510 19.764 1.00 0.00 H new ATOM 0 HE3 LYS A 75 76.743 15.918 18.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 74.497 15.979 17.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 74.944 14.428 17.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 74.112 14.619 18.660 1.00 0.00 H new TER 1184 LYS A 75