USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 540 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 HIS : no HD1:sc= -0.715 K(o=-1.3,f=-0.04) USER MOD Set 1.2: A 63 GLN : amide:sc= -0.547 X(o=-1.3,f=-1.6) USER MOD Set 2.1: A 26 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 30 TYR OH : rot 148:sc= 0.675 USER MOD Set 2.3: A 62 HIS : no HD1:sc= -1.38 K(o=-0.71,f=-4.4) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.207 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0934 K(o=-0.093,f=-0.6) USER MOD Single : A 20 MET CE :methyl 137:sc= -1.1 (180deg=-3.65!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.143 K(o=-0.14,f=-2) USER MOD Single : A 29 GLN : amide:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.0433 K(o=0.043,f=-1.3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.183 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 50 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.23) USER MOD Single : A 58 SER OG : rot 180:sc= 0.00296 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -7.141 -0.305 -10.337 1.00 0.00 N ATOM 60 CA GLY A 7 -6.642 -1.030 -11.491 1.00 0.00 C ATOM 61 C GLY A 7 -7.247 -0.537 -12.791 1.00 0.00 C ATOM 62 O GLY A 7 -6.556 -0.430 -13.804 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.558 -0.931 -11.538 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.860 -2.091 -11.372 1.00 0.00 H new ATOM 66 N VAL A 8 -8.542 -0.238 -12.764 1.00 0.00 N ATOM 67 CA VAL A 8 -9.240 0.245 -13.949 1.00 0.00 C ATOM 68 C VAL A 8 -8.632 1.551 -14.450 1.00 0.00 C ATOM 69 O VAL A 8 -8.737 1.882 -15.631 1.00 0.00 O ATOM 70 CB VAL A 8 -10.738 0.464 -13.668 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.476 0.818 -14.949 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.344 -0.772 -13.018 1.00 0.00 C ATOM 0 H VAL A 8 -9.129 -0.322 -11.934 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.130 -0.522 -14.716 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.841 1.299 -12.975 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.533 0.969 -14.730 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.058 1.733 -15.369 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.367 0.006 -15.668 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.403 -0.600 -12.826 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.230 -1.627 -13.685 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.833 -0.976 -12.077 1.00 0.00 H new ATOM 82 N SER A 9 -7.997 2.287 -13.545 1.00 0.00 N ATOM 83 CA SER A 9 -7.374 3.559 -13.895 1.00 0.00 C ATOM 84 C SER A 9 -6.116 3.337 -14.729 1.00 0.00 C ATOM 85 O SER A 9 -5.721 4.195 -15.518 1.00 0.00 O ATOM 86 CB SER A 9 -7.028 4.347 -12.629 1.00 0.00 C ATOM 87 OG SER A 9 -6.119 3.628 -11.814 1.00 0.00 O ATOM 0 H SER A 9 -7.900 2.025 -12.564 1.00 0.00 H new ATOM 0 HA SER A 9 -8.086 4.133 -14.489 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.594 5.309 -12.903 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.938 4.556 -12.067 1.00 0.00 H new ATOM 0 HG SER A 9 -5.912 4.153 -11.013 1.00 0.00 H new ATOM 93 N LYS A 10 -5.491 2.179 -14.548 1.00 0.00 N ATOM 94 CA LYS A 10 -4.278 1.841 -15.284 1.00 0.00 C ATOM 95 C LYS A 10 -4.564 0.788 -16.350 1.00 0.00 C ATOM 96 O LYS A 10 -3.666 0.062 -16.775 1.00 0.00 O ATOM 97 CB LYS A 10 -3.201 1.330 -14.324 1.00 0.00 C ATOM 98 CG LYS A 10 -2.835 2.324 -13.236 1.00 0.00 C ATOM 99 CD LYS A 10 -1.389 2.775 -13.356 1.00 0.00 C ATOM 100 CE LYS A 10 -0.501 2.077 -12.337 1.00 0.00 C ATOM 101 NZ LYS A 10 -0.214 2.947 -11.163 1.00 0.00 N ATOM 0 H LYS A 10 -5.804 1.458 -13.898 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.918 2.744 -15.777 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.548 0.407 -13.859 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.306 1.082 -14.894 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.494 3.190 -13.297 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.995 1.870 -12.258 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.024 2.566 -14.362 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.330 3.854 -13.213 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.986 1.161 -12.000 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.436 1.786 -12.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.394 2.435 -10.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.271 3.810 -11.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.106 3.204 -10.695 1.00 0.00 H new ATOM 115 N TRP A 11 -5.819 0.713 -16.779 1.00 0.00 N ATOM 116 CA TRP A 11 -6.222 -0.250 -17.797 1.00 0.00 C ATOM 117 C TRP A 11 -5.695 0.155 -19.169 1.00 0.00 C ATOM 118 O TRP A 11 -5.874 1.294 -19.601 1.00 0.00 O ATOM 119 CB TRP A 11 -7.747 -0.371 -17.839 1.00 0.00 C ATOM 120 CG TRP A 11 -8.267 -1.571 -17.107 1.00 0.00 C ATOM 121 CD1 TRP A 11 -7.684 -2.200 -16.044 1.00 0.00 C ATOM 122 CD2 TRP A 11 -9.476 -2.287 -17.385 1.00 0.00 C ATOM 123 NE1 TRP A 11 -8.456 -3.264 -15.645 1.00 0.00 N ATOM 124 CE2 TRP A 11 -9.562 -3.338 -16.451 1.00 0.00 C ATOM 125 CE3 TRP A 11 -10.494 -2.141 -18.330 1.00 0.00 C ATOM 126 CZ2 TRP A 11 -10.625 -4.236 -16.438 1.00 0.00 C ATOM 127 CZ3 TRP A 11 -11.549 -3.034 -18.316 1.00 0.00 C ATOM 128 CH2 TRP A 11 -11.608 -4.070 -17.375 1.00 0.00 C ATOM 0 H TRP A 11 -6.574 1.307 -16.438 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.794 -1.218 -17.535 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.188 0.528 -17.408 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.072 -0.419 -18.878 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.752 -1.904 -15.584 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.241 -3.896 -14.874 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.458 -1.345 -19.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.672 -5.036 -15.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -12.341 -2.931 -19.043 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -12.446 -4.751 -17.389 1.00 0.00 H new ATOM 139 N SER A 12 -5.044 -0.783 -19.849 1.00 0.00 N ATOM 140 CA SER A 12 -4.488 -0.521 -21.171 1.00 0.00 C ATOM 141 C SER A 12 -5.584 -0.114 -22.151 1.00 0.00 C ATOM 142 O SER A 12 -6.770 -0.363 -21.934 1.00 0.00 O ATOM 143 CB SER A 12 -3.755 -1.759 -21.693 1.00 0.00 C ATOM 144 OG SER A 12 -3.566 -2.713 -20.662 1.00 0.00 O ATOM 0 H SER A 12 -4.889 -1.731 -19.506 1.00 0.00 H new ATOM 0 HA SER A 12 -3.779 0.303 -21.084 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.325 -2.207 -22.507 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.789 -1.467 -22.104 1.00 0.00 H new ATOM 0 HG SER A 12 -3.097 -3.495 -21.022 1.00 0.00 H new ATOM 150 N PRO A 13 -5.178 0.528 -23.257 1.00 0.00 N ATOM 151 CA PRO A 13 -6.109 0.984 -24.294 1.00 0.00 C ATOM 152 C PRO A 13 -6.722 -0.175 -25.073 1.00 0.00 C ATOM 153 O PRO A 13 -7.769 -0.027 -25.704 1.00 0.00 O ATOM 154 CB PRO A 13 -5.230 1.838 -25.210 1.00 0.00 C ATOM 155 CG PRO A 13 -3.851 1.307 -25.014 1.00 0.00 C ATOM 156 CD PRO A 13 -3.780 0.858 -23.581 1.00 0.00 C ATOM 0 HA PRO A 13 -6.957 1.523 -23.871 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.543 1.753 -26.251 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.289 2.893 -24.944 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.652 0.478 -25.693 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.105 2.074 -25.220 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.125 -0.006 -23.462 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.392 1.644 -22.933 1.00 0.00 H new ATOM 164 N SER A 14 -6.064 -1.329 -25.024 1.00 0.00 N ATOM 165 CA SER A 14 -6.542 -2.513 -25.728 1.00 0.00 C ATOM 166 C SER A 14 -7.392 -3.385 -24.809 1.00 0.00 C ATOM 167 O SER A 14 -8.256 -4.131 -25.269 1.00 0.00 O ATOM 168 CB SER A 14 -5.363 -3.321 -26.270 1.00 0.00 C ATOM 169 OG SER A 14 -5.734 -4.668 -26.510 1.00 0.00 O ATOM 0 H SER A 14 -5.198 -1.469 -24.504 1.00 0.00 H new ATOM 0 HA SER A 14 -7.161 -2.184 -26.563 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.003 -2.870 -27.195 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.538 -3.289 -25.558 1.00 0.00 H new ATOM 0 HG SER A 14 -4.963 -5.163 -26.858 1.00 0.00 H new ATOM 175 N GLN A 15 -7.139 -3.284 -23.508 1.00 0.00 N ATOM 176 CA GLN A 15 -7.880 -4.065 -22.524 1.00 0.00 C ATOM 177 C GLN A 15 -9.348 -3.654 -22.497 1.00 0.00 C ATOM 178 O GLN A 15 -10.241 -4.501 -22.533 1.00 0.00 O ATOM 179 CB GLN A 15 -7.263 -3.890 -21.135 1.00 0.00 C ATOM 180 CG GLN A 15 -6.038 -4.758 -20.899 1.00 0.00 C ATOM 181 CD GLN A 15 -6.384 -6.103 -20.292 1.00 0.00 C ATOM 182 OE1 GLN A 15 -7.208 -6.194 -19.382 1.00 0.00 O ATOM 183 NE2 GLN A 15 -5.754 -7.159 -20.795 1.00 0.00 N ATOM 0 H GLN A 15 -6.428 -2.670 -23.111 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.821 -5.115 -22.811 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.989 -2.844 -20.998 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.014 -4.124 -20.381 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.520 -4.913 -21.845 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.347 -4.233 -20.239 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.078 -7.038 -21.549 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.946 -8.091 -20.427 1.00 0.00 H new ATOM 192 N VAL A 16 -9.592 -2.349 -22.433 1.00 0.00 N ATOM 193 CA VAL A 16 -10.952 -1.825 -22.402 1.00 0.00 C ATOM 194 C VAL A 16 -11.786 -2.393 -23.545 1.00 0.00 C ATOM 195 O VAL A 16 -12.998 -2.566 -23.418 1.00 0.00 O ATOM 196 CB VAL A 16 -10.964 -0.288 -22.486 1.00 0.00 C ATOM 197 CG1 VAL A 16 -12.392 0.237 -22.471 1.00 0.00 C ATOM 198 CG2 VAL A 16 -10.154 0.314 -21.348 1.00 0.00 C ATOM 0 H VAL A 16 -8.865 -1.635 -22.402 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.388 -2.132 -21.451 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.503 0.010 -23.427 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.380 1.325 -22.531 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.937 -0.168 -23.324 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.883 -0.070 -21.547 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.173 1.401 -21.423 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.584 0.008 -20.394 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.123 -0.036 -21.410 1.00 0.00 H new ATOM 208 N VAL A 17 -11.127 -2.681 -24.664 1.00 0.00 N ATOM 209 CA VAL A 17 -11.807 -3.231 -25.830 1.00 0.00 C ATOM 210 C VAL A 17 -12.416 -4.594 -25.521 1.00 0.00 C ATOM 211 O VAL A 17 -13.518 -4.910 -25.970 1.00 0.00 O ATOM 212 CB VAL A 17 -10.846 -3.370 -27.026 1.00 0.00 C ATOM 213 CG1 VAL A 17 -11.604 -3.791 -28.275 1.00 0.00 C ATOM 214 CG2 VAL A 17 -10.096 -2.067 -27.261 1.00 0.00 C ATOM 0 H VAL A 17 -10.124 -2.542 -24.787 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.602 -2.532 -26.090 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.116 -4.146 -26.795 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.908 -3.884 -29.109 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.090 -4.751 -28.099 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.358 -3.041 -28.513 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.422 -2.183 -28.109 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.809 -1.270 -27.471 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.519 -1.814 -26.371 1.00 0.00 H new ATOM 224 N ASP A 18 -11.691 -5.397 -24.750 1.00 0.00 N ATOM 225 CA ASP A 18 -12.161 -6.727 -24.377 1.00 0.00 C ATOM 226 C ASP A 18 -13.351 -6.637 -23.428 1.00 0.00 C ATOM 227 O ASP A 18 -14.172 -7.552 -23.358 1.00 0.00 O ATOM 228 CB ASP A 18 -11.031 -7.526 -23.724 1.00 0.00 C ATOM 229 CG ASP A 18 -11.380 -8.991 -23.557 1.00 0.00 C ATOM 230 OD1 ASP A 18 -12.184 -9.311 -22.655 1.00 0.00 O ATOM 231 OD2 ASP A 18 -10.851 -9.819 -24.327 1.00 0.00 O ATOM 0 H ASP A 18 -10.776 -5.151 -24.371 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.481 -7.240 -25.284 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.130 -7.437 -24.330 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.803 -7.096 -22.749 1.00 0.00 H new ATOM 236 N TRP A 19 -13.438 -5.530 -22.699 1.00 0.00 N ATOM 237 CA TRP A 19 -14.528 -5.322 -21.753 1.00 0.00 C ATOM 238 C TRP A 19 -15.846 -5.092 -22.484 1.00 0.00 C ATOM 239 O TRP A 19 -16.879 -5.648 -22.109 1.00 0.00 O ATOM 240 CB TRP A 19 -14.221 -4.131 -20.844 1.00 0.00 C ATOM 241 CG TRP A 19 -15.369 -3.746 -19.961 1.00 0.00 C ATOM 242 CD1 TRP A 19 -15.922 -4.496 -18.962 1.00 0.00 C ATOM 243 CD2 TRP A 19 -16.105 -2.519 -19.998 1.00 0.00 C ATOM 244 NE1 TRP A 19 -16.957 -3.808 -18.377 1.00 0.00 N ATOM 245 CE2 TRP A 19 -17.090 -2.592 -18.994 1.00 0.00 C ATOM 246 CE3 TRP A 19 -16.027 -1.364 -20.782 1.00 0.00 C ATOM 247 CZ2 TRP A 19 -17.988 -1.556 -18.755 1.00 0.00 C ATOM 248 CZ3 TRP A 19 -16.920 -0.336 -20.544 1.00 0.00 C ATOM 249 CH2 TRP A 19 -17.889 -0.437 -19.537 1.00 0.00 C ATOM 0 H TRP A 19 -12.767 -4.763 -22.745 1.00 0.00 H new ATOM 0 HA TRP A 19 -14.624 -6.221 -21.143 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.358 -4.371 -20.222 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -13.943 -3.276 -21.460 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -15.594 -5.484 -18.675 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -17.534 -4.148 -17.607 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -15.283 -1.277 -21.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -18.736 -1.632 -17.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.870 0.560 -21.144 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -18.571 0.384 -19.375 1.00 0.00 H new ATOM 260 N MET A 20 -15.805 -4.271 -23.528 1.00 0.00 N ATOM 261 CA MET A 20 -16.997 -3.971 -24.311 1.00 0.00 C ATOM 262 C MET A 20 -17.554 -5.234 -24.960 1.00 0.00 C ATOM 263 O MET A 20 -18.737 -5.303 -25.294 1.00 0.00 O ATOM 264 CB MET A 20 -16.678 -2.930 -25.386 1.00 0.00 C ATOM 265 CG MET A 20 -16.091 -1.642 -24.830 1.00 0.00 C ATOM 266 SD MET A 20 -17.328 -0.346 -24.628 1.00 0.00 S ATOM 267 CE MET A 20 -17.763 -0.023 -26.335 1.00 0.00 C ATOM 0 H MET A 20 -14.959 -3.802 -23.851 1.00 0.00 H new ATOM 0 HA MET A 20 -17.752 -3.567 -23.636 1.00 0.00 H new ATOM 0 HB2 MET A 20 -15.976 -3.361 -26.100 1.00 0.00 H new ATOM 0 HB3 MET A 20 -17.590 -2.696 -25.936 1.00 0.00 H new ATOM 0 HG2 MET A 20 -15.624 -1.846 -23.867 1.00 0.00 H new ATOM 0 HG3 MET A 20 -15.305 -1.288 -25.497 1.00 0.00 H new ATOM 0 HE1 MET A 20 -18.845 0.080 -26.422 1.00 0.00 H new ATOM 0 HE2 MET A 20 -17.283 0.898 -26.665 1.00 0.00 H new ATOM 0 HE3 MET A 20 -17.427 -0.851 -26.959 1.00 0.00 H new ATOM 277 N LYS A 21 -16.695 -6.232 -25.135 1.00 0.00 N ATOM 278 CA LYS A 21 -17.101 -7.494 -25.743 1.00 0.00 C ATOM 279 C LYS A 21 -18.099 -8.229 -24.854 1.00 0.00 C ATOM 280 O LYS A 21 -18.759 -9.170 -25.292 1.00 0.00 O ATOM 281 CB LYS A 21 -15.878 -8.378 -25.996 1.00 0.00 C ATOM 282 CG LYS A 21 -14.891 -7.784 -26.986 1.00 0.00 C ATOM 283 CD LYS A 21 -13.908 -8.827 -27.488 1.00 0.00 C ATOM 284 CE LYS A 21 -12.606 -8.190 -27.949 1.00 0.00 C ATOM 285 NZ LYS A 21 -11.436 -9.078 -27.702 1.00 0.00 N ATOM 0 H LYS A 21 -15.712 -6.192 -24.864 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.584 -7.272 -26.695 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.367 -8.556 -25.050 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.211 -9.348 -26.366 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.433 -7.358 -27.830 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.346 -6.968 -26.512 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.702 -9.546 -26.695 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.355 -9.382 -28.313 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.670 -7.961 -29.013 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.460 -7.244 -27.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.568 -8.608 -28.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.359 -9.276 -26.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.563 -9.971 -28.220 1.00 0.00 H new ATOM 299 N GLY A 22 -18.204 -7.793 -23.603 1.00 0.00 N ATOM 300 CA GLY A 22 -19.125 -8.420 -22.673 1.00 0.00 C ATOM 301 C GLY A 22 -20.213 -7.474 -22.206 1.00 0.00 C ATOM 302 O GLY A 22 -20.790 -7.660 -21.134 1.00 0.00 O ATOM 0 H GLY A 22 -17.668 -7.016 -23.216 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.582 -9.288 -23.149 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.571 -8.786 -21.809 1.00 0.00 H new ATOM 306 N LEU A 23 -20.493 -6.454 -23.010 1.00 0.00 N ATOM 307 CA LEU A 23 -21.518 -5.473 -22.673 1.00 0.00 C ATOM 308 C LEU A 23 -22.674 -5.529 -23.667 1.00 0.00 C ATOM 309 O LEU A 23 -22.755 -6.442 -24.489 1.00 0.00 O ATOM 310 CB LEU A 23 -20.918 -4.066 -22.651 1.00 0.00 C ATOM 311 CG LEU A 23 -19.647 -3.892 -21.818 1.00 0.00 C ATOM 312 CD1 LEU A 23 -19.206 -2.437 -21.816 1.00 0.00 C ATOM 313 CD2 LEU A 23 -19.870 -4.385 -20.395 1.00 0.00 C ATOM 0 H LEU A 23 -20.024 -6.285 -23.900 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.903 -5.713 -21.682 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.700 -3.770 -23.677 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.673 -3.376 -22.274 1.00 0.00 H new ATOM 0 HG LEU A 23 -18.855 -4.490 -22.269 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -18.300 -2.332 -21.219 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -19.005 -2.116 -22.838 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -19.996 -1.818 -21.390 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.955 -4.254 -19.817 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.676 -3.814 -19.934 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -20.139 -5.441 -20.414 1.00 0.00 H new ATOM 325 N ASP A 24 -23.564 -4.547 -23.587 1.00 0.00 N ATOM 326 CA ASP A 24 -24.714 -4.482 -24.482 1.00 0.00 C ATOM 327 C ASP A 24 -24.276 -4.597 -25.938 1.00 0.00 C ATOM 328 O ASP A 24 -23.191 -4.147 -26.308 1.00 0.00 O ATOM 329 CB ASP A 24 -25.481 -3.176 -24.268 1.00 0.00 C ATOM 330 CG ASP A 24 -26.946 -3.410 -23.953 1.00 0.00 C ATOM 331 OD1 ASP A 24 -27.276 -3.579 -22.761 1.00 0.00 O ATOM 332 OD2 ASP A 24 -27.761 -3.425 -24.899 1.00 0.00 O ATOM 0 H ASP A 24 -23.512 -3.784 -22.912 1.00 0.00 H new ATOM 0 HA ASP A 24 -25.371 -5.321 -24.252 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.022 -2.618 -23.452 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -25.399 -2.559 -25.163 1.00 0.00 H new ATOM 337 N ASP A 25 -25.126 -5.201 -26.761 1.00 0.00 N ATOM 338 CA ASP A 25 -24.828 -5.375 -28.177 1.00 0.00 C ATOM 339 C ASP A 25 -24.724 -4.025 -28.880 1.00 0.00 C ATOM 340 O ASP A 25 -24.041 -3.894 -29.897 1.00 0.00 O ATOM 341 CB ASP A 25 -25.904 -6.231 -28.846 1.00 0.00 C ATOM 342 CG ASP A 25 -25.396 -6.932 -30.091 1.00 0.00 C ATOM 343 OD1 ASP A 25 -25.231 -6.255 -31.128 1.00 0.00 O ATOM 344 OD2 ASP A 25 -25.163 -8.157 -30.028 1.00 0.00 O ATOM 0 H ASP A 25 -26.028 -5.579 -26.471 1.00 0.00 H new ATOM 0 HA ASP A 25 -23.867 -5.883 -28.261 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.266 -6.975 -28.136 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.754 -5.601 -29.109 1.00 0.00 H new ATOM 349 N CYS A 26 -25.405 -3.025 -28.333 1.00 0.00 N ATOM 350 CA CYS A 26 -25.391 -1.685 -28.909 1.00 0.00 C ATOM 351 C CYS A 26 -24.029 -1.026 -28.718 1.00 0.00 C ATOM 352 O CYS A 26 -23.663 -0.107 -29.453 1.00 0.00 O ATOM 353 CB CYS A 26 -26.482 -0.822 -28.272 1.00 0.00 C ATOM 354 SG CYS A 26 -28.150 -1.498 -28.443 1.00 0.00 S ATOM 0 H CYS A 26 -25.974 -3.116 -27.491 1.00 0.00 H new ATOM 0 HA CYS A 26 -25.585 -1.773 -29.978 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -26.259 -0.697 -27.212 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -26.455 0.170 -28.723 1.00 0.00 H new ATOM 0 HG CYS A 26 -29.002 -0.700 -27.872 1.00 0.00 H new ATOM 360 N LEU A 27 -23.282 -1.498 -27.726 1.00 0.00 N ATOM 361 CA LEU A 27 -21.960 -0.954 -27.437 1.00 0.00 C ATOM 362 C LEU A 27 -20.872 -1.771 -28.126 1.00 0.00 C ATOM 363 O LEU A 27 -19.712 -1.747 -27.716 1.00 0.00 O ATOM 364 CB LEU A 27 -21.716 -0.929 -25.927 1.00 0.00 C ATOM 365 CG LEU A 27 -22.911 -0.530 -25.060 1.00 0.00 C ATOM 366 CD1 LEU A 27 -22.591 -0.726 -23.587 1.00 0.00 C ATOM 367 CD2 LEU A 27 -23.310 0.913 -25.334 1.00 0.00 C ATOM 0 H LEU A 27 -23.570 -2.257 -27.108 1.00 0.00 H new ATOM 0 HA LEU A 27 -21.922 0.065 -27.822 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.382 -1.919 -25.617 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -20.898 -0.238 -25.723 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.752 -1.174 -25.316 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.453 -0.437 -22.986 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -22.355 -1.774 -23.402 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.735 -0.108 -23.315 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -24.162 1.180 -24.709 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -22.472 1.572 -25.106 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.582 1.022 -26.384 1.00 0.00 H new ATOM 379 N GLN A 28 -21.256 -2.492 -29.175 1.00 0.00 N ATOM 380 CA GLN A 28 -20.312 -3.315 -29.922 1.00 0.00 C ATOM 381 C GLN A 28 -19.716 -2.536 -31.090 1.00 0.00 C ATOM 382 O GLN A 28 -18.504 -2.550 -31.303 1.00 0.00 O ATOM 383 CB GLN A 28 -21.001 -4.580 -30.436 1.00 0.00 C ATOM 384 CG GLN A 28 -21.547 -5.468 -29.329 1.00 0.00 C ATOM 385 CD GLN A 28 -20.453 -6.052 -28.457 1.00 0.00 C ATOM 386 OE1 GLN A 28 -19.442 -6.547 -28.957 1.00 0.00 O ATOM 387 NE2 GLN A 28 -20.649 -5.998 -27.145 1.00 0.00 N ATOM 0 H GLN A 28 -22.213 -2.523 -29.526 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.504 -3.599 -29.248 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -21.818 -4.295 -31.098 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -20.292 -5.153 -31.033 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -22.231 -4.889 -28.708 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -22.126 -6.279 -29.771 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -21.501 -5.579 -26.774 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.947 -6.376 -26.509 1.00 0.00 H new ATOM 396 N GLN A 29 -20.576 -1.859 -31.843 1.00 0.00 N ATOM 397 CA GLN A 29 -20.133 -1.075 -32.991 1.00 0.00 C ATOM 398 C GLN A 29 -19.086 -0.047 -32.576 1.00 0.00 C ATOM 399 O GLN A 29 -18.263 0.377 -33.388 1.00 0.00 O ATOM 400 CB GLN A 29 -21.324 -0.372 -33.645 1.00 0.00 C ATOM 401 CG GLN A 29 -22.062 0.572 -32.709 1.00 0.00 C ATOM 402 CD GLN A 29 -23.566 0.387 -32.760 1.00 0.00 C ATOM 403 OE1 GLN A 29 -24.286 1.209 -33.328 1.00 0.00 O ATOM 404 NE2 GLN A 29 -24.049 -0.697 -32.165 1.00 0.00 N ATOM 0 H GLN A 29 -21.583 -1.837 -31.680 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.681 -1.756 -33.712 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -20.973 0.189 -34.511 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -22.022 -1.124 -34.014 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -21.714 0.411 -31.689 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.817 1.602 -32.970 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -23.416 -1.352 -31.706 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.053 -0.875 -32.167 1.00 0.00 H new ATOM 413 N TYR A 30 -19.122 0.349 -31.309 1.00 0.00 N ATOM 414 CA TYR A 30 -18.178 1.330 -30.788 1.00 0.00 C ATOM 415 C TYR A 30 -16.814 0.694 -30.538 1.00 0.00 C ATOM 416 O TYR A 30 -15.788 1.376 -30.540 1.00 0.00 O ATOM 417 CB TYR A 30 -18.711 1.944 -29.492 1.00 0.00 C ATOM 418 CG TYR A 30 -20.088 2.552 -29.632 1.00 0.00 C ATOM 419 CD1 TYR A 30 -20.422 3.318 -30.742 1.00 0.00 C ATOM 420 CD2 TYR A 30 -21.057 2.358 -28.655 1.00 0.00 C ATOM 421 CE1 TYR A 30 -21.679 3.876 -30.873 1.00 0.00 C ATOM 422 CE2 TYR A 30 -22.317 2.910 -28.779 1.00 0.00 C ATOM 423 CZ TYR A 30 -22.623 3.669 -29.889 1.00 0.00 C ATOM 424 OH TYR A 30 -23.877 4.221 -30.017 1.00 0.00 O ATOM 0 H TYR A 30 -19.795 0.006 -30.624 1.00 0.00 H new ATOM 0 HA TYR A 30 -18.062 2.116 -31.534 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -18.739 1.175 -28.720 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -18.017 2.712 -29.151 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -19.686 3.480 -31.516 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -20.821 1.765 -27.784 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -21.921 4.471 -31.741 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -23.059 2.748 -28.011 1.00 0.00 H new ATOM 0 HH TYR A 30 -24.538 3.633 -29.595 1.00 0.00 H new ATOM 434 N ILE A 31 -16.810 -0.618 -30.325 1.00 0.00 N ATOM 435 CA ILE A 31 -15.573 -1.348 -30.076 1.00 0.00 C ATOM 436 C ILE A 31 -14.533 -1.049 -31.150 1.00 0.00 C ATOM 437 O ILE A 31 -13.428 -0.595 -30.852 1.00 0.00 O ATOM 438 CB ILE A 31 -15.818 -2.867 -30.021 1.00 0.00 C ATOM 439 CG1 ILE A 31 -16.841 -3.203 -28.934 1.00 0.00 C ATOM 440 CG2 ILE A 31 -14.511 -3.605 -29.772 1.00 0.00 C ATOM 441 CD1 ILE A 31 -17.182 -4.675 -28.859 1.00 0.00 C ATOM 0 H ILE A 31 -17.650 -1.197 -30.320 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.198 -1.014 -29.109 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.219 -3.190 -30.982 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.453 -2.879 -27.968 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.754 -2.636 -29.118 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.700 -4.678 -29.736 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.811 -3.387 -30.578 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.084 -3.279 -28.823 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.912 -4.839 -28.067 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.600 -5.001 -29.811 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.279 -5.247 -28.645 1.00 0.00 H new ATOM 453 N LYS A 32 -14.894 -1.306 -32.403 1.00 0.00 N ATOM 454 CA LYS A 32 -13.995 -1.062 -33.524 1.00 0.00 C ATOM 455 C LYS A 32 -13.458 0.365 -33.491 1.00 0.00 C ATOM 456 O LYS A 32 -12.334 0.626 -33.918 1.00 0.00 O ATOM 457 CB LYS A 32 -14.717 -1.316 -34.849 1.00 0.00 C ATOM 458 CG LYS A 32 -16.029 -0.563 -34.981 1.00 0.00 C ATOM 459 CD LYS A 32 -16.491 -0.495 -36.427 1.00 0.00 C ATOM 460 CE LYS A 32 -17.269 -1.740 -36.822 1.00 0.00 C ATOM 461 NZ LYS A 32 -18.740 -1.531 -36.717 1.00 0.00 N ATOM 0 H LYS A 32 -15.804 -1.684 -32.667 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.154 -1.750 -33.438 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.060 -1.032 -35.671 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.909 -2.384 -34.949 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.793 -1.053 -34.377 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -15.911 0.447 -34.588 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -17.116 0.386 -36.569 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -15.627 -0.382 -37.081 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -17.014 -2.019 -37.844 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -16.974 -2.571 -36.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -19.235 -2.402 -36.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -18.987 -1.290 -35.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -19.026 -0.755 -37.347 1.00 0.00 H new ATOM 475 N ASN A 33 -14.269 1.286 -32.980 1.00 0.00 N ATOM 476 CA ASN A 33 -13.875 2.687 -32.891 1.00 0.00 C ATOM 477 C ASN A 33 -12.936 2.914 -31.710 1.00 0.00 C ATOM 478 O ASN A 33 -12.061 3.779 -31.755 1.00 0.00 O ATOM 479 CB ASN A 33 -15.111 3.578 -32.753 1.00 0.00 C ATOM 480 CG ASN A 33 -15.900 3.677 -34.044 1.00 0.00 C ATOM 481 OD1 ASN A 33 -15.565 3.035 -35.039 1.00 0.00 O ATOM 482 ND2 ASN A 33 -16.955 4.484 -34.033 1.00 0.00 N ATOM 0 H ASN A 33 -15.203 1.087 -32.621 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.347 2.949 -33.808 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.754 3.183 -31.967 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.803 4.576 -32.441 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.524 4.591 -34.873 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.196 4.997 -33.185 1.00 0.00 H new ATOM 489 N PHE A 34 -13.124 2.130 -30.653 1.00 0.00 N ATOM 490 CA PHE A 34 -12.294 2.245 -29.459 1.00 0.00 C ATOM 491 C PHE A 34 -10.900 1.679 -29.709 1.00 0.00 C ATOM 492 O PHE A 34 -9.919 2.136 -29.122 1.00 0.00 O ATOM 493 CB PHE A 34 -12.950 1.516 -28.284 1.00 0.00 C ATOM 494 CG PHE A 34 -13.890 2.379 -27.492 1.00 0.00 C ATOM 495 CD1 PHE A 34 -14.880 3.112 -28.127 1.00 0.00 C ATOM 496 CD2 PHE A 34 -13.785 2.456 -26.113 1.00 0.00 C ATOM 497 CE1 PHE A 34 -15.746 3.907 -27.401 1.00 0.00 C ATOM 498 CE2 PHE A 34 -14.649 3.249 -25.381 1.00 0.00 C ATOM 499 CZ PHE A 34 -15.631 3.975 -26.026 1.00 0.00 C ATOM 0 H PHE A 34 -13.843 1.409 -30.599 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.199 3.303 -29.214 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.495 0.651 -28.662 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.172 1.138 -27.621 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -14.976 3.061 -29.202 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -13.019 1.890 -25.604 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.512 4.475 -27.908 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.556 3.301 -24.306 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.308 4.595 -25.456 1.00 0.00 H new ATOM 509 N GLU A 35 -10.821 0.682 -30.584 1.00 0.00 N ATOM 510 CA GLU A 35 -9.546 0.052 -30.911 1.00 0.00 C ATOM 511 C GLU A 35 -8.595 1.054 -31.558 1.00 0.00 C ATOM 512 O GLU A 35 -7.412 1.110 -31.221 1.00 0.00 O ATOM 513 CB GLU A 35 -9.765 -1.138 -31.848 1.00 0.00 C ATOM 514 CG GLU A 35 -9.258 -2.455 -31.286 1.00 0.00 C ATOM 515 CD GLU A 35 -7.745 -2.509 -31.201 1.00 0.00 C ATOM 516 OE1 GLU A 35 -7.084 -2.292 -32.238 1.00 0.00 O ATOM 517 OE2 GLU A 35 -7.223 -2.768 -30.097 1.00 0.00 O ATOM 0 H GLU A 35 -11.623 0.293 -31.079 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.097 -0.303 -29.984 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.830 -1.230 -32.063 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.265 -0.940 -32.796 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.680 -2.608 -30.293 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.612 -3.274 -31.912 1.00 0.00 H new ATOM 524 N ARG A 36 -9.120 1.844 -32.489 1.00 0.00 N ATOM 525 CA ARG A 36 -8.318 2.843 -33.185 1.00 0.00 C ATOM 526 C ARG A 36 -8.023 4.033 -32.277 1.00 0.00 C ATOM 527 O ARG A 36 -6.915 4.567 -32.279 1.00 0.00 O ATOM 528 CB ARG A 36 -9.040 3.318 -34.448 1.00 0.00 C ATOM 529 CG ARG A 36 -8.102 3.642 -35.600 1.00 0.00 C ATOM 530 CD ARG A 36 -8.556 4.881 -36.356 1.00 0.00 C ATOM 531 NE ARG A 36 -7.811 5.068 -37.598 1.00 0.00 N ATOM 532 CZ ARG A 36 -7.995 4.326 -38.684 1.00 0.00 C ATOM 533 NH1 ARG A 36 -8.895 3.352 -38.681 1.00 0.00 N ATOM 534 NH2 ARG A 36 -7.278 4.557 -39.776 1.00 0.00 N ATOM 0 H ARG A 36 -10.097 1.812 -32.779 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.372 2.380 -33.467 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.741 2.547 -34.767 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.628 4.204 -34.209 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.093 3.797 -35.217 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.056 2.794 -36.283 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.620 4.799 -36.580 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.430 5.759 -35.722 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.111 5.809 -37.633 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.448 3.171 -37.843 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.034 2.784 -39.516 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.585 5.305 -39.782 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.420 3.987 -40.610 1.00 0.00 H new ATOM 548 N GLU A 37 -9.023 4.442 -31.503 1.00 0.00 N ATOM 549 CA GLU A 37 -8.871 5.569 -30.591 1.00 0.00 C ATOM 550 C GLU A 37 -7.955 5.206 -29.425 1.00 0.00 C ATOM 551 O GLU A 37 -7.386 6.081 -28.772 1.00 0.00 O ATOM 552 CB GLU A 37 -10.236 6.015 -30.062 1.00 0.00 C ATOM 553 CG GLU A 37 -11.014 6.881 -31.038 1.00 0.00 C ATOM 554 CD GLU A 37 -11.109 8.326 -30.587 1.00 0.00 C ATOM 555 OE1 GLU A 37 -10.081 8.876 -30.138 1.00 0.00 O ATOM 556 OE2 GLU A 37 -12.210 8.907 -30.683 1.00 0.00 O ATOM 0 H GLU A 37 -9.947 4.010 -31.489 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.418 6.392 -31.144 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.828 5.133 -29.820 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.093 6.567 -29.133 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.535 6.840 -32.016 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.018 6.475 -31.158 1.00 0.00 H new ATOM 563 N LYS A 38 -7.818 3.910 -29.170 1.00 0.00 N ATOM 564 CA LYS A 38 -6.972 3.428 -28.085 1.00 0.00 C ATOM 565 C LYS A 38 -7.420 4.008 -26.747 1.00 0.00 C ATOM 566 O LYS A 38 -6.598 4.465 -25.952 1.00 0.00 O ATOM 567 CB LYS A 38 -5.510 3.796 -28.349 1.00 0.00 C ATOM 568 CG LYS A 38 -4.954 3.198 -29.629 1.00 0.00 C ATOM 569 CD LYS A 38 -4.674 1.713 -29.476 1.00 0.00 C ATOM 570 CE LYS A 38 -3.674 1.224 -30.512 1.00 0.00 C ATOM 571 NZ LYS A 38 -2.848 0.096 -29.997 1.00 0.00 N ATOM 0 H LYS A 38 -8.283 3.173 -29.701 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.065 2.343 -28.040 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.420 4.881 -28.396 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.902 3.462 -27.508 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.663 3.353 -30.442 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.035 3.716 -29.904 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.289 1.516 -28.476 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.605 1.154 -29.575 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.206 0.905 -31.408 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.022 2.047 -30.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.179 -0.209 -30.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.320 0.408 -29.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.467 -0.699 -29.742 1.00 0.00 H new ATOM 585 N ILE A 39 -8.726 3.986 -26.505 1.00 0.00 N ATOM 586 CA ILE A 39 -9.282 4.508 -25.263 1.00 0.00 C ATOM 587 C ILE A 39 -8.721 3.765 -24.055 1.00 0.00 C ATOM 588 O ILE A 39 -9.029 2.594 -23.836 1.00 0.00 O ATOM 589 CB ILE A 39 -10.818 4.406 -25.246 1.00 0.00 C ATOM 590 CG1 ILE A 39 -11.415 5.171 -26.429 1.00 0.00 C ATOM 591 CG2 ILE A 39 -11.370 4.937 -23.932 1.00 0.00 C ATOM 592 CD1 ILE A 39 -11.103 6.651 -26.411 1.00 0.00 C ATOM 0 H ILE A 39 -9.419 3.612 -27.153 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.996 5.558 -25.206 1.00 0.00 H new ATOM 0 HB ILE A 39 -11.098 3.357 -25.337 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.039 4.740 -27.357 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.497 5.036 -26.430 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.457 4.858 -23.936 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.966 4.353 -23.105 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.083 5.982 -23.812 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.558 7.129 -27.279 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.503 7.096 -25.500 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.023 6.796 -26.441 1.00 0.00 H new ATOM 604 N SER A 40 -7.897 4.455 -23.273 1.00 0.00 N ATOM 605 CA SER A 40 -7.290 3.860 -22.088 1.00 0.00 C ATOM 606 C SER A 40 -8.252 3.907 -20.904 1.00 0.00 C ATOM 607 O SER A 40 -9.242 4.637 -20.923 1.00 0.00 O ATOM 608 CB SER A 40 -5.992 4.587 -21.733 1.00 0.00 C ATOM 609 OG SER A 40 -5.411 4.050 -20.558 1.00 0.00 O ATOM 0 H SER A 40 -7.634 5.427 -23.439 1.00 0.00 H new ATOM 0 HA SER A 40 -7.064 2.817 -22.311 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.288 4.505 -22.561 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.194 5.649 -21.590 1.00 0.00 H new ATOM 0 HG SER A 40 -4.582 4.531 -20.354 1.00 0.00 H new ATOM 615 N GLY A 41 -7.953 3.120 -19.875 1.00 0.00 N ATOM 616 CA GLY A 41 -8.800 3.085 -18.697 1.00 0.00 C ATOM 617 C GLY A 41 -8.951 4.449 -18.051 1.00 0.00 C ATOM 618 O GLY A 41 -10.054 4.847 -17.678 1.00 0.00 O ATOM 0 H GLY A 41 -7.139 2.506 -19.836 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.784 2.706 -18.972 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.380 2.387 -17.972 1.00 0.00 H new ATOM 622 N ASP A 42 -7.840 5.165 -17.918 1.00 0.00 N ATOM 623 CA ASP A 42 -7.853 6.491 -17.312 1.00 0.00 C ATOM 624 C ASP A 42 -8.900 7.381 -17.976 1.00 0.00 C ATOM 625 O ASP A 42 -9.463 8.272 -17.340 1.00 0.00 O ATOM 626 CB ASP A 42 -6.472 7.139 -17.421 1.00 0.00 C ATOM 627 CG ASP A 42 -6.336 8.363 -16.537 1.00 0.00 C ATOM 628 OD1 ASP A 42 -7.163 9.289 -16.674 1.00 0.00 O ATOM 629 OD2 ASP A 42 -5.402 8.396 -15.709 1.00 0.00 O ATOM 0 H ASP A 42 -6.919 4.849 -18.222 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.111 6.380 -16.259 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.709 6.410 -17.147 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.287 7.421 -18.458 1.00 0.00 H new ATOM 634 N GLN A 43 -9.153 7.134 -19.257 1.00 0.00 N ATOM 635 CA GLN A 43 -10.130 7.914 -20.006 1.00 0.00 C ATOM 636 C GLN A 43 -11.536 7.355 -19.815 1.00 0.00 C ATOM 637 O GLN A 43 -12.521 8.092 -19.867 1.00 0.00 O ATOM 638 CB GLN A 43 -9.772 7.927 -21.493 1.00 0.00 C ATOM 639 CG GLN A 43 -8.905 9.108 -21.900 1.00 0.00 C ATOM 640 CD GLN A 43 -9.094 9.498 -23.353 1.00 0.00 C ATOM 641 OE1 GLN A 43 -9.511 10.616 -23.658 1.00 0.00 O ATOM 642 NE2 GLN A 43 -8.788 8.576 -24.258 1.00 0.00 N ATOM 0 H GLN A 43 -8.695 6.400 -19.797 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.110 8.935 -19.625 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.251 7.002 -21.741 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.691 7.942 -22.079 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.140 9.962 -21.265 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.857 8.861 -21.727 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -8.446 7.663 -23.960 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -8.895 8.781 -25.251 1.00 0.00 H new ATOM 651 N LEU A 44 -11.622 6.048 -19.594 1.00 0.00 N ATOM 652 CA LEU A 44 -12.909 5.389 -19.395 1.00 0.00 C ATOM 653 C LEU A 44 -13.507 5.760 -18.042 1.00 0.00 C ATOM 654 O LEU A 44 -14.692 6.082 -17.942 1.00 0.00 O ATOM 655 CB LEU A 44 -12.747 3.871 -19.495 1.00 0.00 C ATOM 656 CG LEU A 44 -13.994 3.041 -19.187 1.00 0.00 C ATOM 657 CD1 LEU A 44 -14.639 2.550 -20.474 1.00 0.00 C ATOM 658 CD2 LEU A 44 -13.645 1.869 -18.282 1.00 0.00 C ATOM 0 H LEU A 44 -10.817 5.424 -19.548 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.588 5.728 -20.177 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.413 3.627 -20.503 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.954 3.565 -18.813 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.710 3.676 -18.665 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.525 1.961 -20.235 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.926 3.405 -21.087 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.929 1.931 -21.024 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.545 1.290 -18.074 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.911 1.233 -18.777 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.229 2.243 -17.346 1.00 0.00 H new ATOM 670 N LEU A 45 -12.680 5.714 -17.003 1.00 0.00 N ATOM 671 CA LEU A 45 -13.127 6.048 -15.655 1.00 0.00 C ATOM 672 C LEU A 45 -13.678 7.469 -15.600 1.00 0.00 C ATOM 673 O LEU A 45 -14.551 7.776 -14.788 1.00 0.00 O ATOM 674 CB LEU A 45 -11.972 5.898 -14.662 1.00 0.00 C ATOM 675 CG LEU A 45 -12.231 4.984 -13.465 1.00 0.00 C ATOM 676 CD1 LEU A 45 -12.665 3.603 -13.931 1.00 0.00 C ATOM 677 CD2 LEU A 45 -10.991 4.888 -12.589 1.00 0.00 C ATOM 0 H LEU A 45 -11.697 5.449 -17.068 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.925 5.358 -15.382 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.103 5.520 -15.201 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.710 6.888 -14.288 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.038 5.415 -12.872 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.845 2.966 -13.065 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -13.581 3.687 -14.516 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.881 3.164 -14.547 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.194 4.233 -11.742 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.164 4.482 -13.172 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.725 5.880 -12.225 1.00 0.00 H new ATOM 689 N ARG A 46 -13.165 8.332 -16.471 1.00 0.00 N ATOM 690 CA ARG A 46 -13.607 9.720 -16.522 1.00 0.00 C ATOM 691 C ARG A 46 -14.229 10.043 -17.877 1.00 0.00 C ATOM 692 O ARG A 46 -14.227 11.194 -18.314 1.00 0.00 O ATOM 693 CB ARG A 46 -12.432 10.662 -16.251 1.00 0.00 C ATOM 694 CG ARG A 46 -11.452 10.762 -17.408 1.00 0.00 C ATOM 695 CD ARG A 46 -10.197 11.524 -17.011 1.00 0.00 C ATOM 696 NE ARG A 46 -9.666 12.316 -18.117 1.00 0.00 N ATOM 697 CZ ARG A 46 -10.204 13.459 -18.528 1.00 0.00 C ATOM 698 NH1 ARG A 46 -11.284 13.940 -17.928 1.00 0.00 N ATOM 699 NH2 ARG A 46 -9.663 14.122 -19.541 1.00 0.00 N ATOM 0 H ARG A 46 -12.443 8.094 -17.151 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.364 9.863 -15.751 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.819 11.656 -16.027 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.900 10.319 -15.364 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.180 9.761 -17.744 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.931 11.262 -18.250 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.422 12.180 -16.170 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.437 10.820 -16.672 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.836 11.973 -18.601 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.703 13.432 -17.149 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.695 14.818 -18.245 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.833 13.754 -20.006 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.077 14.999 -19.855 1.00 0.00 H new ATOM 713 N ILE A 47 -14.760 9.019 -18.538 1.00 0.00 N ATOM 714 CA ILE A 47 -15.385 9.195 -19.842 1.00 0.00 C ATOM 715 C ILE A 47 -16.647 10.045 -19.737 1.00 0.00 C ATOM 716 O ILE A 47 -17.476 9.839 -18.851 1.00 0.00 O ATOM 717 CB ILE A 47 -15.745 7.840 -20.481 1.00 0.00 C ATOM 718 CG1 ILE A 47 -16.238 8.042 -21.915 1.00 0.00 C ATOM 719 CG2 ILE A 47 -16.799 7.125 -19.648 1.00 0.00 C ATOM 720 CD1 ILE A 47 -15.491 7.211 -22.934 1.00 0.00 C ATOM 0 H ILE A 47 -14.769 8.060 -18.191 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.658 9.705 -20.474 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.850 7.219 -20.509 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -17.299 7.795 -21.964 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.144 9.096 -22.178 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -17.043 6.169 -20.112 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.413 6.952 -18.643 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.697 7.740 -19.591 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.894 7.405 -23.928 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.433 7.474 -22.913 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.606 6.154 -22.696 1.00 0.00 H new ATOM 732 N THR A 48 -16.787 11.002 -20.650 1.00 0.00 N ATOM 733 CA THR A 48 -17.947 11.883 -20.661 1.00 0.00 C ATOM 734 C THR A 48 -18.631 11.874 -22.023 1.00 0.00 C ATOM 735 O THR A 48 -18.074 11.385 -23.006 1.00 0.00 O ATOM 736 CB THR A 48 -17.557 13.330 -20.305 1.00 0.00 C ATOM 737 OG1 THR A 48 -18.732 14.138 -20.177 1.00 0.00 O ATOM 738 CG2 THR A 48 -16.643 13.922 -21.369 1.00 0.00 C ATOM 0 H THR A 48 -16.111 11.186 -21.391 1.00 0.00 H new ATOM 0 HA THR A 48 -18.638 11.505 -19.908 1.00 0.00 H new ATOM 0 HB THR A 48 -17.022 13.314 -19.355 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.475 15.056 -19.949 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.381 14.944 -21.096 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.736 13.323 -21.444 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.157 13.924 -22.330 1.00 0.00 H new ATOM 746 N HIS A 49 -19.843 12.419 -22.075 1.00 0.00 N ATOM 747 CA HIS A 49 -20.603 12.474 -23.319 1.00 0.00 C ATOM 748 C HIS A 49 -19.780 13.115 -24.431 1.00 0.00 C ATOM 749 O HIS A 49 -19.915 12.757 -25.601 1.00 0.00 O ATOM 750 CB HIS A 49 -21.901 13.256 -23.113 1.00 0.00 C ATOM 751 CG HIS A 49 -22.871 12.578 -22.195 1.00 0.00 C ATOM 752 ND1 HIS A 49 -23.375 13.175 -21.059 1.00 0.00 N ATOM 753 CD2 HIS A 49 -23.430 11.347 -22.252 1.00 0.00 C ATOM 754 CE1 HIS A 49 -24.201 12.339 -20.455 1.00 0.00 C ATOM 755 NE2 HIS A 49 -24.253 11.223 -21.159 1.00 0.00 N ATOM 0 H HIS A 49 -20.319 12.828 -21.271 1.00 0.00 H new ATOM 0 HA HIS A 49 -20.845 11.453 -23.614 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -21.662 14.241 -22.712 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -22.378 13.413 -24.080 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -23.261 10.601 -23.015 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -24.742 12.535 -19.541 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -24.813 10.402 -20.929 1.00 0.00 H new ATOM 763 N GLN A 50 -18.927 14.064 -24.058 1.00 0.00 N ATOM 764 CA GLN A 50 -18.083 14.756 -25.025 1.00 0.00 C ATOM 765 C GLN A 50 -17.095 13.792 -25.673 1.00 0.00 C ATOM 766 O GLN A 50 -16.887 13.824 -26.885 1.00 0.00 O ATOM 767 CB GLN A 50 -17.328 15.901 -24.348 1.00 0.00 C ATOM 768 CG GLN A 50 -17.218 17.150 -25.208 1.00 0.00 C ATOM 769 CD GLN A 50 -18.560 17.814 -25.446 1.00 0.00 C ATOM 770 OE1 GLN A 50 -19.317 18.064 -24.507 1.00 0.00 O ATOM 771 NE2 GLN A 50 -18.863 18.103 -26.706 1.00 0.00 N ATOM 0 H GLN A 50 -18.802 14.371 -23.093 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.727 15.166 -25.804 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.831 16.155 -23.415 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.326 15.560 -24.087 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -16.546 17.860 -24.726 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -16.771 16.888 -26.167 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -18.206 17.878 -27.453 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -19.753 18.550 -26.927 1.00 0.00 H new ATOM 780 N GLU A 51 -16.490 12.935 -24.856 1.00 0.00 N ATOM 781 CA GLU A 51 -15.522 11.963 -25.351 1.00 0.00 C ATOM 782 C GLU A 51 -16.205 10.911 -26.222 1.00 0.00 C ATOM 783 O GLU A 51 -15.784 10.655 -27.351 1.00 0.00 O ATOM 784 CB GLU A 51 -14.804 11.285 -24.182 1.00 0.00 C ATOM 785 CG GLU A 51 -13.992 12.244 -23.328 1.00 0.00 C ATOM 786 CD GLU A 51 -12.671 12.622 -23.971 1.00 0.00 C ATOM 787 OE1 GLU A 51 -12.646 12.815 -25.205 1.00 0.00 O ATOM 788 OE2 GLU A 51 -11.663 12.724 -23.241 1.00 0.00 O ATOM 0 H GLU A 51 -16.653 12.894 -23.850 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.790 12.494 -25.959 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.542 10.787 -23.553 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.143 10.511 -24.572 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.575 13.147 -23.147 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.802 11.788 -22.357 1.00 0.00 H new ATOM 795 N LEU A 52 -17.260 10.305 -25.689 1.00 0.00 N ATOM 796 CA LEU A 52 -18.001 9.280 -26.416 1.00 0.00 C ATOM 797 C LEU A 52 -18.406 9.779 -27.799 1.00 0.00 C ATOM 798 O LEU A 52 -18.220 9.085 -28.798 1.00 0.00 O ATOM 799 CB LEU A 52 -19.244 8.866 -25.626 1.00 0.00 C ATOM 800 CG LEU A 52 -19.076 7.671 -24.687 1.00 0.00 C ATOM 801 CD1 LEU A 52 -20.163 7.670 -23.624 1.00 0.00 C ATOM 802 CD2 LEU A 52 -19.094 6.368 -25.473 1.00 0.00 C ATOM 0 H LEU A 52 -17.622 10.505 -24.757 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.351 8.414 -26.539 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.577 9.721 -25.037 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -20.040 8.637 -26.334 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.110 7.758 -24.189 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -20.027 6.812 -22.965 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -20.102 8.589 -23.041 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.140 7.608 -24.103 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.973 5.528 -24.788 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -20.044 6.273 -25.999 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -18.278 6.368 -26.195 1.00 0.00 H new ATOM 814 N GLU A 53 -18.958 10.988 -27.848 1.00 0.00 N ATOM 815 CA GLU A 53 -19.387 11.580 -29.110 1.00 0.00 C ATOM 816 C GLU A 53 -18.246 11.589 -30.122 1.00 0.00 C ATOM 817 O GLU A 53 -18.463 11.409 -31.321 1.00 0.00 O ATOM 818 CB GLU A 53 -19.895 13.005 -28.883 1.00 0.00 C ATOM 819 CG GLU A 53 -21.019 13.407 -29.822 1.00 0.00 C ATOM 820 CD GLU A 53 -20.633 14.552 -30.738 1.00 0.00 C ATOM 821 OE1 GLU A 53 -19.555 14.474 -31.363 1.00 0.00 O ATOM 822 OE2 GLU A 53 -21.409 15.527 -30.831 1.00 0.00 O ATOM 0 H GLU A 53 -19.118 11.576 -27.030 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.199 10.973 -29.510 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.242 13.098 -27.854 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -19.065 13.701 -29.004 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.309 12.546 -30.425 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.892 13.694 -29.236 1.00 0.00 H new ATOM 829 N ASP A 54 -17.030 11.802 -29.632 1.00 0.00 N ATOM 830 CA ASP A 54 -15.853 11.836 -30.493 1.00 0.00 C ATOM 831 C ASP A 54 -15.636 10.486 -31.170 1.00 0.00 C ATOM 832 O ASP A 54 -15.359 10.417 -32.368 1.00 0.00 O ATOM 833 CB ASP A 54 -14.613 12.219 -29.683 1.00 0.00 C ATOM 834 CG ASP A 54 -13.641 13.066 -30.480 1.00 0.00 C ATOM 835 OD1 ASP A 54 -13.533 12.851 -31.705 1.00 0.00 O ATOM 836 OD2 ASP A 54 -12.987 13.944 -29.878 1.00 0.00 O ATOM 0 H ASP A 54 -16.833 11.954 -28.643 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.020 12.587 -31.265 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.920 12.765 -28.791 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.109 11.313 -29.345 1.00 0.00 H new ATOM 841 N LEU A 55 -15.763 9.414 -30.395 1.00 0.00 N ATOM 842 CA LEU A 55 -15.581 8.065 -30.919 1.00 0.00 C ATOM 843 C LEU A 55 -16.638 7.741 -31.969 1.00 0.00 C ATOM 844 O LEU A 55 -16.399 6.952 -32.882 1.00 0.00 O ATOM 845 CB LEU A 55 -15.645 7.043 -29.783 1.00 0.00 C ATOM 846 CG LEU A 55 -14.555 7.156 -28.716 1.00 0.00 C ATOM 847 CD1 LEU A 55 -15.159 7.054 -27.324 1.00 0.00 C ATOM 848 CD2 LEU A 55 -13.496 6.083 -28.920 1.00 0.00 C ATOM 0 H LEU A 55 -15.991 9.453 -29.402 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.600 8.015 -31.391 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.615 7.134 -29.294 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -15.599 6.044 -30.217 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.078 8.131 -28.812 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.369 7.136 -26.578 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.880 7.859 -27.180 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.662 6.093 -27.215 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.729 6.179 -28.152 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.958 5.098 -28.851 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.042 6.202 -29.904 1.00 0.00 H new ATOM 860 N GLY A 56 -17.808 8.359 -31.835 1.00 0.00 N ATOM 861 CA GLY A 56 -18.883 8.125 -32.781 1.00 0.00 C ATOM 862 C GLY A 56 -20.226 7.949 -32.100 1.00 0.00 C ATOM 863 O GLY A 56 -21.274 8.094 -32.730 1.00 0.00 O ATOM 0 H GLY A 56 -18.030 9.017 -31.088 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.939 8.962 -33.477 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.658 7.235 -33.369 1.00 0.00 H new ATOM 867 N VAL A 57 -20.196 7.634 -30.809 1.00 0.00 N ATOM 868 CA VAL A 57 -21.420 7.437 -30.042 1.00 0.00 C ATOM 869 C VAL A 57 -22.285 8.692 -30.055 1.00 0.00 C ATOM 870 O VAL A 57 -22.065 9.619 -29.276 1.00 0.00 O ATOM 871 CB VAL A 57 -21.112 7.055 -28.582 1.00 0.00 C ATOM 872 CG1 VAL A 57 -22.389 6.667 -27.851 1.00 0.00 C ATOM 873 CG2 VAL A 57 -20.095 5.925 -28.531 1.00 0.00 C ATOM 0 H VAL A 57 -19.337 7.510 -30.272 1.00 0.00 H new ATOM 0 HA VAL A 57 -21.963 6.620 -30.517 1.00 0.00 H new ATOM 0 HB VAL A 57 -20.683 7.922 -28.080 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.152 6.400 -26.821 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.082 7.508 -27.858 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -22.849 5.814 -28.350 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -19.889 5.668 -27.492 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -20.494 5.053 -29.049 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -19.172 6.244 -29.016 1.00 0.00 H new ATOM 883 N SER A 58 -23.272 8.715 -30.946 1.00 0.00 N ATOM 884 CA SER A 58 -24.169 9.859 -31.064 1.00 0.00 C ATOM 885 C SER A 58 -25.563 9.510 -30.552 1.00 0.00 C ATOM 886 O SER A 58 -26.565 10.026 -31.048 1.00 0.00 O ATOM 887 CB SER A 58 -24.249 10.324 -32.519 1.00 0.00 C ATOM 888 OG SER A 58 -24.291 9.219 -33.406 1.00 0.00 O ATOM 0 H SER A 58 -23.470 7.955 -31.596 1.00 0.00 H new ATOM 0 HA SER A 58 -23.768 10.668 -30.454 1.00 0.00 H new ATOM 0 HB2 SER A 58 -25.137 10.940 -32.659 1.00 0.00 H new ATOM 0 HB3 SER A 58 -23.387 10.949 -32.752 1.00 0.00 H new ATOM 0 HG SER A 58 -24.343 9.543 -34.330 1.00 0.00 H new ATOM 894 N ARG A 59 -25.619 8.631 -29.557 1.00 0.00 N ATOM 895 CA ARG A 59 -26.889 8.212 -28.978 1.00 0.00 C ATOM 896 C ARG A 59 -26.912 8.467 -27.474 1.00 0.00 C ATOM 897 O ARG A 59 -25.864 8.580 -26.838 1.00 0.00 O ATOM 898 CB ARG A 59 -27.137 6.728 -29.258 1.00 0.00 C ATOM 899 CG ARG A 59 -28.002 6.476 -30.482 1.00 0.00 C ATOM 900 CD ARG A 59 -29.244 5.672 -30.130 1.00 0.00 C ATOM 901 NE ARG A 59 -29.714 4.870 -31.257 1.00 0.00 N ATOM 902 CZ ARG A 59 -30.434 5.361 -32.259 1.00 0.00 C ATOM 903 NH1 ARG A 59 -30.764 6.645 -32.275 1.00 0.00 N ATOM 904 NH2 ARG A 59 -30.824 4.568 -33.248 1.00 0.00 N ATOM 0 H ARG A 59 -24.799 8.195 -29.135 1.00 0.00 H new ATOM 0 HA ARG A 59 -27.682 8.800 -29.441 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -26.178 6.227 -29.392 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -27.614 6.277 -28.388 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -28.297 7.428 -30.923 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -27.422 5.942 -31.235 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -29.025 5.018 -29.286 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -30.036 6.349 -29.812 1.00 0.00 H new ATOM 0 HE ARG A 59 -29.476 3.878 -31.275 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -30.465 7.258 -31.517 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -31.317 7.020 -33.046 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -30.571 3.580 -33.239 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -31.377 4.946 -34.017 1.00 0.00 H new ATOM 918 N ILE A 60 -28.113 8.556 -26.912 1.00 0.00 N ATOM 919 CA ILE A 60 -28.271 8.797 -25.483 1.00 0.00 C ATOM 920 C ILE A 60 -28.414 7.486 -24.717 1.00 0.00 C ATOM 921 O ILE A 60 -27.737 7.265 -23.714 1.00 0.00 O ATOM 922 CB ILE A 60 -29.497 9.683 -25.195 1.00 0.00 C ATOM 923 CG1 ILE A 60 -29.372 11.020 -25.928 1.00 0.00 C ATOM 924 CG2 ILE A 60 -29.649 9.906 -23.697 1.00 0.00 C ATOM 925 CD1 ILE A 60 -28.122 11.792 -25.567 1.00 0.00 C ATOM 0 H ILE A 60 -28.990 8.465 -27.424 1.00 0.00 H new ATOM 0 HA ILE A 60 -27.372 9.314 -25.148 1.00 0.00 H new ATOM 0 HB ILE A 60 -30.389 9.173 -25.559 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -29.379 10.838 -27.003 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -30.245 11.632 -25.702 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -30.520 10.534 -23.509 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -29.779 8.946 -23.198 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -28.757 10.398 -23.310 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -28.099 12.729 -26.124 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -28.122 12.005 -24.498 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -27.243 11.199 -25.819 1.00 0.00 H new ATOM 937 N GLY A 61 -29.298 6.618 -25.199 1.00 0.00 N ATOM 938 CA GLY A 61 -29.512 5.339 -24.549 1.00 0.00 C ATOM 939 C GLY A 61 -28.265 4.477 -24.539 1.00 0.00 C ATOM 940 O GLY A 61 -28.139 3.562 -23.725 1.00 0.00 O ATOM 0 H GLY A 61 -29.870 6.778 -26.028 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.842 5.507 -23.524 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.314 4.806 -25.059 1.00 0.00 H new ATOM 944 N HIS A 62 -27.340 4.768 -25.449 1.00 0.00 N ATOM 945 CA HIS A 62 -26.096 4.012 -25.543 1.00 0.00 C ATOM 946 C HIS A 62 -25.026 4.610 -24.634 1.00 0.00 C ATOM 947 O HIS A 62 -24.346 3.890 -23.904 1.00 0.00 O ATOM 948 CB HIS A 62 -25.598 3.986 -26.988 1.00 0.00 C ATOM 949 CG HIS A 62 -26.547 3.320 -27.937 1.00 0.00 C ATOM 950 ND1 HIS A 62 -26.622 3.641 -29.276 1.00 0.00 N ATOM 951 CD2 HIS A 62 -27.462 2.344 -27.734 1.00 0.00 C ATOM 952 CE1 HIS A 62 -27.544 2.893 -29.855 1.00 0.00 C ATOM 953 NE2 HIS A 62 -28.068 2.096 -28.941 1.00 0.00 N ATOM 0 H HIS A 62 -27.429 5.521 -26.131 1.00 0.00 H new ATOM 0 HA HIS A 62 -26.295 2.991 -25.217 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -25.422 5.009 -27.321 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -24.639 3.469 -27.024 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -27.676 1.852 -26.797 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -27.822 2.927 -30.898 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -28.803 1.408 -29.105 1.00 0.00 H new ATOM 961 N GLN A 63 -24.884 5.931 -24.686 1.00 0.00 N ATOM 962 CA GLN A 63 -23.896 6.624 -23.869 1.00 0.00 C ATOM 963 C GLN A 63 -24.038 6.241 -22.400 1.00 0.00 C ATOM 964 O GLN A 63 -23.047 6.125 -21.680 1.00 0.00 O ATOM 965 CB GLN A 63 -24.042 8.139 -24.030 1.00 0.00 C ATOM 966 CG GLN A 63 -23.360 8.687 -25.272 1.00 0.00 C ATOM 967 CD GLN A 63 -23.634 10.163 -25.485 1.00 0.00 C ATOM 968 OE1 GLN A 63 -24.565 10.723 -24.906 1.00 0.00 O ATOM 969 NE2 GLN A 63 -22.822 10.802 -26.319 1.00 0.00 N ATOM 0 H GLN A 63 -25.440 6.541 -25.285 1.00 0.00 H new ATOM 0 HA GLN A 63 -22.905 6.323 -24.209 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.102 8.392 -24.066 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -23.627 8.631 -23.151 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.285 8.529 -25.191 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -23.699 8.129 -26.144 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -22.063 10.298 -26.778 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -22.958 11.796 -26.501 1.00 0.00 H new ATOM 978 N GLU A 64 -25.278 6.046 -21.962 1.00 0.00 N ATOM 979 CA GLU A 64 -25.550 5.677 -20.577 1.00 0.00 C ATOM 980 C GLU A 64 -25.335 4.182 -20.361 1.00 0.00 C ATOM 981 O GLU A 64 -24.939 3.751 -19.277 1.00 0.00 O ATOM 982 CB GLU A 64 -26.982 6.058 -20.196 1.00 0.00 C ATOM 983 CG GLU A 64 -27.174 7.548 -19.964 1.00 0.00 C ATOM 984 CD GLU A 64 -26.890 7.957 -18.532 1.00 0.00 C ATOM 985 OE1 GLU A 64 -27.546 7.415 -17.618 1.00 0.00 O ATOM 986 OE2 GLU A 64 -26.010 8.819 -18.326 1.00 0.00 O ATOM 0 H GLU A 64 -26.110 6.137 -22.545 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.855 6.223 -19.939 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.658 5.732 -20.986 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.264 5.519 -19.292 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -26.517 8.104 -20.634 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -28.197 7.823 -20.220 1.00 0.00 H new ATOM 993 N LEU A 65 -25.599 3.396 -21.398 1.00 0.00 N ATOM 994 CA LEU A 65 -25.436 1.948 -21.323 1.00 0.00 C ATOM 995 C LEU A 65 -24.024 1.582 -20.877 1.00 0.00 C ATOM 996 O LEU A 65 -23.833 0.666 -20.076 1.00 0.00 O ATOM 997 CB LEU A 65 -25.736 1.310 -22.680 1.00 0.00 C ATOM 998 CG LEU A 65 -27.087 0.606 -22.807 1.00 0.00 C ATOM 999 CD1 LEU A 65 -27.352 0.215 -24.253 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -27.138 -0.617 -21.904 1.00 0.00 C ATOM 0 H LEU A 65 -25.927 3.737 -22.302 1.00 0.00 H new ATOM 0 HA LEU A 65 -26.141 1.565 -20.585 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -25.680 2.086 -23.444 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -24.950 0.588 -22.901 1.00 0.00 H new ATOM 0 HG LEU A 65 -27.867 1.299 -22.491 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -28.318 -0.285 -24.324 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -27.360 1.109 -24.876 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -26.568 -0.460 -24.597 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -28.107 -1.106 -22.007 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -26.349 -1.313 -22.189 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -26.995 -0.310 -20.868 1.00 0.00 H new ATOM 1012 N ILE A 66 -23.038 2.305 -21.398 1.00 0.00 N ATOM 1013 CA ILE A 66 -21.644 2.059 -21.050 1.00 0.00 C ATOM 1014 C ILE A 66 -21.323 2.588 -19.656 1.00 0.00 C ATOM 1015 O ILE A 66 -20.821 1.856 -18.803 1.00 0.00 O ATOM 1016 CB ILE A 66 -20.687 2.708 -22.067 1.00 0.00 C ATOM 1017 CG1 ILE A 66 -21.059 2.288 -23.490 1.00 0.00 C ATOM 1018 CG2 ILE A 66 -19.247 2.329 -21.755 1.00 0.00 C ATOM 1019 CD1 ILE A 66 -20.270 3.011 -24.559 1.00 0.00 C ATOM 0 H ILE A 66 -23.179 3.066 -22.063 1.00 0.00 H new ATOM 0 HA ILE A 66 -21.501 0.979 -21.067 1.00 0.00 H new ATOM 0 HB ILE A 66 -20.781 3.791 -21.993 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.901 1.215 -23.596 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.122 2.471 -23.648 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.582 2.795 -22.482 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -18.989 2.674 -20.754 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.137 1.246 -21.805 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.586 2.663 -25.542 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.447 4.084 -24.479 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.207 2.808 -24.427 1.00 0.00 H new ATOM 1031 N LEU A 67 -21.619 3.864 -19.432 1.00 0.00 N ATOM 1032 CA LEU A 67 -21.363 4.492 -18.140 1.00 0.00 C ATOM 1033 C LEU A 67 -21.967 3.670 -17.006 1.00 0.00 C ATOM 1034 O LEU A 67 -21.297 3.374 -16.017 1.00 0.00 O ATOM 1035 CB LEU A 67 -21.937 5.910 -18.119 1.00 0.00 C ATOM 1036 CG LEU A 67 -21.407 6.865 -19.189 1.00 0.00 C ATOM 1037 CD1 LEU A 67 -22.373 8.020 -19.399 1.00 0.00 C ATOM 1038 CD2 LEU A 67 -20.028 7.383 -18.806 1.00 0.00 C ATOM 0 H LEU A 67 -22.036 4.483 -20.127 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.284 4.540 -17.994 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.020 5.844 -18.224 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.738 6.346 -17.140 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.319 6.317 -20.127 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.979 8.689 -20.164 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.340 7.632 -19.719 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.493 8.568 -18.465 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.666 8.061 -19.579 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -20.090 7.915 -17.857 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.339 6.544 -18.708 1.00 0.00 H new ATOM 1050 N GLU A 68 -23.236 3.303 -17.158 1.00 0.00 N ATOM 1051 CA GLU A 68 -23.928 2.514 -16.146 1.00 0.00 C ATOM 1052 C GLU A 68 -23.132 1.261 -15.794 1.00 0.00 C ATOM 1053 O GLU A 68 -23.204 0.761 -14.672 1.00 0.00 O ATOM 1054 CB GLU A 68 -25.323 2.123 -16.639 1.00 0.00 C ATOM 1055 CG GLU A 68 -26.286 1.764 -15.519 1.00 0.00 C ATOM 1056 CD GLU A 68 -27.468 0.948 -16.006 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -27.597 0.766 -17.235 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -28.264 0.492 -15.159 1.00 0.00 O ATOM 0 H GLU A 68 -23.805 3.539 -17.971 1.00 0.00 H new ATOM 0 HA GLU A 68 -24.025 3.126 -15.249 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -25.740 2.949 -17.215 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -25.235 1.274 -17.317 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -25.753 1.202 -14.752 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -26.649 2.678 -15.050 1.00 0.00 H new ATOM 1065 N ALA A 69 -22.372 0.759 -16.762 1.00 0.00 N ATOM 1066 CA ALA A 69 -21.561 -0.435 -16.556 1.00 0.00 C ATOM 1067 C ALA A 69 -20.247 -0.092 -15.862 1.00 0.00 C ATOM 1068 O ALA A 69 -19.832 -0.772 -14.924 1.00 0.00 O ATOM 1069 CB ALA A 69 -21.294 -1.128 -17.883 1.00 0.00 C ATOM 0 H ALA A 69 -22.301 1.161 -17.697 1.00 0.00 H new ATOM 0 HA ALA A 69 -22.117 -1.115 -15.910 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -20.687 -2.018 -17.713 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -22.241 -1.416 -18.340 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -20.762 -0.448 -18.548 1.00 0.00 H new ATOM 1075 N VAL A 70 -19.595 0.968 -16.331 1.00 0.00 N ATOM 1076 CA VAL A 70 -18.327 1.401 -15.756 1.00 0.00 C ATOM 1077 C VAL A 70 -18.453 1.624 -14.253 1.00 0.00 C ATOM 1078 O VAL A 70 -17.512 1.379 -13.498 1.00 0.00 O ATOM 1079 CB VAL A 70 -17.826 2.700 -16.415 1.00 0.00 C ATOM 1080 CG1 VAL A 70 -16.519 3.151 -15.783 1.00 0.00 C ATOM 1081 CG2 VAL A 70 -17.663 2.507 -17.916 1.00 0.00 C ATOM 0 H VAL A 70 -19.924 1.542 -17.107 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.606 0.605 -15.944 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.569 3.480 -16.250 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.181 4.070 -16.262 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.673 3.332 -14.719 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.765 2.375 -15.914 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.308 3.434 -18.366 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -16.940 1.713 -18.104 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.623 2.235 -18.354 1.00 0.00 H new ATOM 1091 N ASP A 71 -19.622 2.088 -13.825 1.00 0.00 N ATOM 1092 CA ASP A 71 -19.872 2.342 -12.411 1.00 0.00 C ATOM 1093 C ASP A 71 -19.603 1.093 -11.578 1.00 0.00 C ATOM 1094 O ASP A 71 -19.281 1.181 -10.393 1.00 0.00 O ATOM 1095 CB ASP A 71 -21.314 2.808 -12.202 1.00 0.00 C ATOM 1096 CG ASP A 71 -21.476 3.645 -10.949 1.00 0.00 C ATOM 1097 OD1 ASP A 71 -20.842 4.718 -10.867 1.00 0.00 O ATOM 1098 OD2 ASP A 71 -22.236 3.228 -10.050 1.00 0.00 O ATOM 0 H ASP A 71 -20.411 2.296 -14.437 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.192 3.129 -12.083 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.634 3.389 -13.067 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -21.969 1.939 -12.142 1.00 0.00 H new ATOM 1103 N LEU A 72 -19.737 -0.070 -12.206 1.00 0.00 N ATOM 1104 CA LEU A 72 -19.509 -1.339 -11.523 1.00 0.00 C ATOM 1105 C LEU A 72 -18.024 -1.688 -11.503 1.00 0.00 C ATOM 1106 O LEU A 72 -17.554 -2.397 -10.613 1.00 0.00 O ATOM 1107 CB LEU A 72 -20.299 -2.458 -12.206 1.00 0.00 C ATOM 1108 CG LEU A 72 -21.792 -2.519 -11.883 1.00 0.00 C ATOM 1109 CD1 LEU A 72 -22.585 -2.956 -13.104 1.00 0.00 C ATOM 1110 CD2 LEU A 72 -22.047 -3.460 -10.714 1.00 0.00 C ATOM 0 H LEU A 72 -20.002 -0.161 -13.187 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.853 -1.236 -10.494 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.185 -2.350 -13.285 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.849 -3.412 -11.932 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.124 -1.520 -11.599 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.645 -2.994 -12.855 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -22.428 -2.244 -13.914 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.251 -3.944 -13.420 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -23.115 -3.491 -10.498 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -21.699 -4.461 -10.970 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -21.509 -3.103 -9.836 1.00 0.00 H new ATOM 1122 N LEU A 73 -17.291 -1.184 -12.490 1.00 0.00 N ATOM 1123 CA LEU A 73 -15.858 -1.441 -12.585 1.00 0.00 C ATOM 1124 C LEU A 73 -15.110 -0.791 -11.425 1.00 0.00 C ATOM 1125 O LEU A 73 -14.220 -1.398 -10.829 1.00 0.00 O ATOM 1126 CB LEU A 73 -15.314 -0.917 -13.915 1.00 0.00 C ATOM 1127 CG LEU A 73 -15.108 -1.960 -15.014 1.00 0.00 C ATOM 1128 CD1 LEU A 73 -14.753 -1.287 -16.330 1.00 0.00 C ATOM 1129 CD2 LEU A 73 -14.026 -2.952 -14.612 1.00 0.00 C ATOM 0 H LEU A 73 -17.665 -0.596 -13.235 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.703 -2.519 -12.535 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.997 -0.155 -14.289 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.360 -0.425 -13.726 1.00 0.00 H new ATOM 0 HG LEU A 73 -16.042 -2.506 -15.149 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.610 -2.046 -17.100 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.561 -0.617 -16.626 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.833 -0.715 -16.210 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.893 -3.687 -15.406 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.088 -2.421 -14.448 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.321 -3.460 -13.694 1.00 0.00 H new