USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 749 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -110:sc= 0.28 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -40:sc= 1.11 USER MOD Single : A 56 THR OG1 : rot 160:sc= -0.802 USER MOD Single : A 59 GLN : amide:sc= -0.0225 K(o=-0.022,f=-1.6!) USER MOD Single : A 65 CYS SG : rot -15:sc= 0.0378 USER MOD Single : A 68 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.4) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.24 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -179:sc= 0 (180deg=-0.00155) USER MOD Single : A 86 THR OG1 : rot -17:sc= -0.0132 USER MOD Single : A 88 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.321) USER MOD Single : A 97 ASN : amide:sc= -0.756 X(o=-0.76,f=-0.83) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -142:sc= -0.669! USER MOD Single : A 101 SER OG : rot 180:sc= 0.0613 USER MOD Single : A 102 THR OG1 : rot -51:sc= 0.137 USER MOD Single : A 108 ASN : amide:sc= -0.0649 X(o=-0.065,f=0) USER MOD Single : A 109 MET CE :methyl 143:sc= -1.21 (180deg=-3.86!) USER MOD Single : A 110 TYR OH : rot 150:sc= -0.0247 USER MOD Single : A 111 SER OG : rot 180:sc= -0.134 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N ARG A 7 2.100 9.117 -11.494 1.00 73.40 N ATOM 93 CA ARG A 7 2.624 8.044 -12.330 1.00 62.51 C ATOM 94 C ARG A 7 3.041 6.847 -11.480 1.00 72.54 C ATOM 95 O ARG A 7 2.619 5.717 -11.731 1.00 51.54 O ATOM 96 CB ARG A 7 3.817 8.542 -13.148 1.00 22.02 C ATOM 97 CG ARG A 7 3.944 7.876 -14.508 1.00 53.44 C ATOM 98 CD ARG A 7 4.303 8.883 -15.590 1.00 1.32 C ATOM 99 NE ARG A 7 5.627 9.463 -15.380 1.00 62.40 N ATOM 100 CZ ARG A 7 6.240 10.237 -16.269 1.00 14.25 C ATOM 101 NH1 ARG A 7 5.650 10.524 -17.421 1.00 11.22 N ATOM 102 NH2 ARG A 7 7.444 10.727 -16.005 1.00 23.11 N ATOM 0 HA ARG A 7 1.833 7.728 -13.010 1.00 62.51 H new ATOM 0 HB2 ARG A 7 3.727 9.619 -13.288 1.00 22.02 H new ATOM 0 HB3 ARG A 7 4.732 8.370 -12.582 1.00 22.02 H new ATOM 0 HG2 ARG A 7 4.708 7.100 -14.464 1.00 53.44 H new ATOM 0 HG3 ARG A 7 3.005 7.385 -14.763 1.00 53.44 H new ATOM 0 HD2 ARG A 7 4.271 8.395 -16.564 1.00 1.32 H new ATOM 0 HD3 ARG A 7 3.557 9.678 -15.607 1.00 1.32 H new ATOM 0 HE ARG A 7 6.107 9.263 -14.503 1.00 62.40 H new ATOM 0 HH11 ARG A 7 4.723 10.150 -17.626 1.00 11.22 H new ATOM 0 HH12 ARG A 7 6.123 11.118 -18.102 1.00 11.22 H new ATOM 0 HH21 ARG A 7 7.900 10.510 -15.119 1.00 23.11 H new ATOM 0 HH22 ARG A 7 7.914 11.321 -16.688 1.00 23.11 H new ATOM 116 N ASP A 8 3.871 7.102 -10.475 1.00 62.53 N ATOM 117 CA ASP A 8 4.345 6.046 -9.588 1.00 73.40 C ATOM 118 C ASP A 8 3.175 5.250 -9.017 1.00 12.42 C ATOM 119 O ASP A 8 3.277 4.042 -8.806 1.00 62.14 O ATOM 120 CB ASP A 8 5.177 6.641 -8.451 1.00 33.51 C ATOM 121 CG ASP A 8 6.627 6.847 -8.841 1.00 61.42 C ATOM 122 OD1 ASP A 8 7.285 5.856 -9.222 1.00 1.12 O ATOM 123 OD2 ASP A 8 7.104 7.998 -8.765 1.00 45.31 O ATOM 0 H ASP A 8 4.230 8.031 -10.254 1.00 62.53 H new ATOM 0 HA ASP A 8 4.971 5.370 -10.170 1.00 73.40 H new ATOM 0 HB2 ASP A 8 4.746 7.596 -8.150 1.00 33.51 H new ATOM 0 HB3 ASP A 8 5.127 5.982 -7.585 1.00 33.51 H new ATOM 128 N TRP A 9 2.066 5.937 -8.768 1.00 34.25 N ATOM 129 CA TRP A 9 0.876 5.294 -8.219 1.00 45.43 C ATOM 130 C TRP A 9 0.195 4.424 -9.269 1.00 51.14 C ATOM 131 O TRP A 9 0.037 3.217 -9.083 1.00 50.30 O ATOM 132 CB TRP A 9 -0.103 6.347 -7.698 1.00 43.40 C ATOM 133 CG TRP A 9 -1.356 5.760 -7.123 1.00 1.13 C ATOM 134 CD1 TRP A 9 -2.526 5.519 -7.784 1.00 34.44 C ATOM 135 CD2 TRP A 9 -1.564 5.343 -5.769 1.00 64.50 C ATOM 136 NE1 TRP A 9 -3.449 4.976 -6.922 1.00 73.02 N ATOM 137 CE2 TRP A 9 -2.883 4.857 -5.681 1.00 30.03 C ATOM 138 CE3 TRP A 9 -0.763 5.329 -4.624 1.00 11.43 C ATOM 139 CZ2 TRP A 9 -3.417 4.366 -4.492 1.00 52.13 C ATOM 140 CZ3 TRP A 9 -1.295 4.842 -3.445 1.00 1.20 C ATOM 141 CH2 TRP A 9 -2.611 4.365 -3.386 1.00 51.34 C ATOM 0 H TRP A 9 1.965 6.938 -8.937 1.00 34.25 H new ATOM 0 HA TRP A 9 1.187 4.656 -7.391 1.00 45.43 H new ATOM 0 HB2 TRP A 9 0.392 6.947 -6.935 1.00 43.40 H new ATOM 0 HB3 TRP A 9 -0.367 7.022 -8.512 1.00 43.40 H new ATOM 0 HD1 TRP A 9 -2.701 5.725 -8.830 1.00 34.44 H new ATOM 0 HE1 TRP A 9 -4.401 4.706 -7.167 1.00 73.02 H new ATOM 0 HE3 TRP A 9 0.253 5.692 -4.660 1.00 11.43 H new ATOM 0 HZ2 TRP A 9 -4.432 3.999 -4.445 1.00 52.13 H new ATOM 0 HZ3 TRP A 9 -0.686 4.829 -2.554 1.00 1.20 H new ATOM 0 HH2 TRP A 9 -2.997 3.989 -2.450 1.00 51.34 H new ATOM 152 N LYS A 10 -0.208 5.043 -10.374 1.00 45.11 N ATOM 153 CA LYS A 10 -0.871 4.325 -11.456 1.00 32.14 C ATOM 154 C LYS A 10 -0.059 3.104 -11.877 1.00 51.50 C ATOM 155 O LYS A 10 -0.616 2.097 -12.312 1.00 31.13 O ATOM 156 CB LYS A 10 -1.081 5.250 -12.656 1.00 55.32 C ATOM 157 CG LYS A 10 -2.302 6.145 -12.528 1.00 73.13 C ATOM 158 CD LYS A 10 -3.586 5.380 -12.805 1.00 64.13 C ATOM 159 CE LYS A 10 -4.622 6.259 -13.488 1.00 13.23 C ATOM 160 NZ LYS A 10 -4.618 6.077 -14.966 1.00 31.34 N ATOM 0 H LYS A 10 -0.087 6.041 -10.544 1.00 45.11 H new ATOM 0 HA LYS A 10 -1.841 3.986 -11.093 1.00 32.14 H new ATOM 0 HB2 LYS A 10 -0.196 5.873 -12.783 1.00 55.32 H new ATOM 0 HB3 LYS A 10 -1.177 4.645 -13.558 1.00 55.32 H new ATOM 0 HG2 LYS A 10 -2.340 6.569 -11.525 1.00 73.13 H new ATOM 0 HG3 LYS A 10 -2.217 6.979 -13.224 1.00 73.13 H new ATOM 0 HD2 LYS A 10 -3.368 4.517 -13.434 1.00 64.13 H new ATOM 0 HD3 LYS A 10 -3.992 4.998 -11.869 1.00 64.13 H new ATOM 0 HE2 LYS A 10 -5.612 6.025 -13.096 1.00 13.23 H new ATOM 0 HE3 LYS A 10 -4.424 7.304 -13.251 1.00 13.23 H new ATOM 0 HZ1 LYS A 10 -5.338 6.694 -15.394 1.00 31.34 H new ATOM 0 HZ2 LYS A 10 -3.681 6.325 -15.344 1.00 31.34 H new ATOM 0 HZ3 LYS A 10 -4.832 5.085 -15.194 1.00 31.34 H new ATOM 174 N MET A 11 1.260 3.202 -11.744 1.00 54.10 N ATOM 175 CA MET A 11 2.147 2.104 -12.109 1.00 4.32 C ATOM 176 C MET A 11 2.039 0.961 -11.105 1.00 71.21 C ATOM 177 O MET A 11 1.816 -0.189 -11.482 1.00 75.21 O ATOM 178 CB MET A 11 3.595 2.595 -12.186 1.00 75.44 C ATOM 179 CG MET A 11 3.893 3.413 -13.432 1.00 61.54 C ATOM 180 SD MET A 11 4.760 2.462 -14.696 1.00 1.31 S ATOM 181 CE MET A 11 5.005 3.714 -15.953 1.00 12.51 C ATOM 0 H MET A 11 1.737 4.030 -11.387 1.00 54.10 H new ATOM 0 HA MET A 11 1.843 1.734 -13.088 1.00 4.32 H new ATOM 0 HB2 MET A 11 3.813 3.198 -11.305 1.00 75.44 H new ATOM 0 HB3 MET A 11 4.264 1.735 -12.157 1.00 75.44 H new ATOM 0 HG2 MET A 11 2.958 3.792 -13.845 1.00 61.54 H new ATOM 0 HG3 MET A 11 4.495 4.279 -13.158 1.00 61.54 H new ATOM 0 HE1 MET A 11 5.531 3.278 -16.803 1.00 12.51 H new ATOM 0 HE2 MET A 11 4.038 4.095 -16.281 1.00 12.51 H new ATOM 0 HE3 MET A 11 5.596 4.532 -15.541 1.00 12.51 H new ATOM 191 N ALA A 12 2.199 1.285 -9.826 1.00 73.32 N ATOM 192 CA ALA A 12 2.117 0.285 -8.769 1.00 32.22 C ATOM 193 C ALA A 12 0.819 -0.511 -8.865 1.00 3.42 C ATOM 194 O ALA A 12 0.777 -1.691 -8.518 1.00 22.42 O ATOM 195 CB ALA A 12 2.232 0.949 -7.405 1.00 35.44 C ATOM 0 H ALA A 12 2.386 2.232 -9.497 1.00 73.32 H new ATOM 0 HA ALA A 12 2.948 -0.409 -8.894 1.00 32.22 H new ATOM 0 HB1 ALA A 12 2.169 0.191 -6.625 1.00 35.44 H new ATOM 0 HB2 ALA A 12 3.188 1.467 -7.332 1.00 35.44 H new ATOM 0 HB3 ALA A 12 1.421 1.666 -7.280 1.00 35.44 H new ATOM 201 N ILE A 13 -0.237 0.143 -9.337 1.00 3.44 N ATOM 202 CA ILE A 13 -1.535 -0.504 -9.478 1.00 40.20 C ATOM 203 C ILE A 13 -1.539 -1.477 -10.652 1.00 21.54 C ATOM 204 O ILE A 13 -1.886 -2.649 -10.500 1.00 24.11 O ATOM 205 CB ILE A 13 -2.660 0.529 -9.678 1.00 60.25 C ATOM 206 CG1 ILE A 13 -2.713 1.494 -8.493 1.00 10.24 C ATOM 207 CG2 ILE A 13 -3.998 -0.173 -9.857 1.00 63.41 C ATOM 208 CD1 ILE A 13 -3.082 0.827 -7.186 1.00 74.03 C ATOM 0 H ILE A 13 -0.219 1.120 -9.628 1.00 3.44 H new ATOM 0 HA ILE A 13 -1.717 -1.052 -8.554 1.00 40.20 H new ATOM 0 HB ILE A 13 -2.449 1.103 -10.580 1.00 60.25 H new ATOM 0 HG12 ILE A 13 -1.742 1.976 -8.384 1.00 10.24 H new ATOM 0 HG13 ILE A 13 -3.437 2.280 -8.707 1.00 10.24 H new ATOM 0 HG21 ILE A 13 -4.783 0.570 -9.997 1.00 63.41 H new ATOM 0 HG22 ILE A 13 -3.954 -0.823 -10.731 1.00 63.41 H new ATOM 0 HG23 ILE A 13 -4.217 -0.770 -8.971 1.00 63.41 H new ATOM 0 HD11 ILE A 13 -3.100 1.571 -6.390 1.00 74.03 H new ATOM 0 HD12 ILE A 13 -4.067 0.369 -7.277 1.00 74.03 H new ATOM 0 HD13 ILE A 13 -2.345 0.060 -6.948 1.00 74.03 H new ATOM 220 N LYS A 14 -1.149 -0.985 -11.823 1.00 34.42 N ATOM 221 CA LYS A 14 -1.104 -1.811 -13.023 1.00 72.44 C ATOM 222 C LYS A 14 -0.313 -3.092 -12.774 1.00 13.52 C ATOM 223 O LYS A 14 -0.585 -4.128 -13.380 1.00 31.25 O ATOM 224 CB LYS A 14 -0.479 -1.030 -14.181 1.00 63.54 C ATOM 225 CG LYS A 14 -0.617 -1.722 -15.527 1.00 33.14 C ATOM 226 CD LYS A 14 0.595 -1.474 -16.409 1.00 31.14 C ATOM 227 CE LYS A 14 1.614 -2.596 -16.284 1.00 72.50 C ATOM 228 NZ LYS A 14 1.501 -3.575 -17.401 1.00 13.20 N ATOM 0 H LYS A 14 -0.859 -0.018 -11.966 1.00 34.42 H new ATOM 0 HA LYS A 14 -2.127 -2.082 -13.285 1.00 72.44 H new ATOM 0 HB2 LYS A 14 -0.945 -0.046 -14.238 1.00 63.54 H new ATOM 0 HB3 LYS A 14 0.579 -0.870 -13.971 1.00 63.54 H new ATOM 0 HG2 LYS A 14 -0.744 -2.794 -15.375 1.00 33.14 H new ATOM 0 HG3 LYS A 14 -1.514 -1.363 -16.031 1.00 33.14 H new ATOM 0 HD2 LYS A 14 0.278 -1.383 -17.448 1.00 31.14 H new ATOM 0 HD3 LYS A 14 1.059 -0.527 -16.133 1.00 31.14 H new ATOM 0 HE2 LYS A 14 2.619 -2.174 -16.271 1.00 72.50 H new ATOM 0 HE3 LYS A 14 1.472 -3.111 -15.334 1.00 72.50 H new ATOM 0 HZ1 LYS A 14 2.212 -4.324 -17.280 1.00 13.20 H new ATOM 0 HZ2 LYS A 14 0.550 -3.997 -17.398 1.00 13.20 H new ATOM 0 HZ3 LYS A 14 1.661 -3.089 -18.306 1.00 13.20 H new ATOM 242 N ARG A 15 0.665 -3.012 -11.878 1.00 32.14 N ATOM 243 CA ARG A 15 1.495 -4.165 -11.548 1.00 55.30 C ATOM 244 C ARG A 15 0.741 -5.136 -10.644 1.00 61.44 C ATOM 245 O ARG A 15 0.662 -6.332 -10.931 1.00 10.42 O ATOM 246 CB ARG A 15 2.785 -3.712 -10.864 1.00 5.44 C ATOM 247 CG ARG A 15 3.480 -2.561 -11.574 1.00 21.31 C ATOM 248 CD ARG A 15 4.915 -2.914 -11.933 1.00 50.34 C ATOM 249 NE ARG A 15 5.404 -2.130 -13.064 1.00 42.33 N ATOM 250 CZ ARG A 15 6.479 -2.455 -13.774 1.00 3.34 C ATOM 251 NH1 ARG A 15 7.173 -3.543 -13.471 1.00 4.14 N ATOM 252 NH2 ARG A 15 6.862 -1.691 -14.789 1.00 13.31 N ATOM 0 H ARG A 15 0.902 -2.161 -11.368 1.00 32.14 H new ATOM 0 HA ARG A 15 1.745 -4.679 -12.476 1.00 55.30 H new ATOM 0 HB2 ARG A 15 2.558 -3.412 -9.841 1.00 5.44 H new ATOM 0 HB3 ARG A 15 3.470 -4.557 -10.804 1.00 5.44 H new ATOM 0 HG2 ARG A 15 2.930 -2.305 -12.479 1.00 21.31 H new ATOM 0 HG3 ARG A 15 3.470 -1.678 -10.935 1.00 21.31 H new ATOM 0 HD2 ARG A 15 5.557 -2.744 -11.069 1.00 50.34 H new ATOM 0 HD3 ARG A 15 4.978 -3.975 -12.173 1.00 50.34 H new ATOM 0 HE ARG A 15 4.892 -1.287 -13.323 1.00 42.33 H new ATOM 0 HH11 ARG A 15 6.882 -4.133 -12.691 1.00 4.14 H new ATOM 0 HH12 ARG A 15 7.998 -3.790 -14.018 1.00 4.14 H new ATOM 0 HH21 ARG A 15 6.331 -0.853 -15.025 1.00 13.31 H new ATOM 0 HH22 ARG A 15 7.688 -1.942 -15.333 1.00 13.31 H new ATOM 266 N CYS A 16 0.190 -4.616 -9.554 1.00 4.44 N ATOM 267 CA CYS A 16 -0.556 -5.437 -8.607 1.00 23.10 C ATOM 268 C CYS A 16 -1.779 -6.059 -9.273 1.00 64.40 C ATOM 269 O CYS A 16 -2.350 -7.025 -8.767 1.00 23.14 O ATOM 270 CB CYS A 16 -0.987 -4.600 -7.402 1.00 41.42 C ATOM 271 SG CYS A 16 -1.497 -5.576 -5.969 1.00 33.42 S ATOM 0 H CYS A 16 0.246 -3.629 -9.303 1.00 4.44 H new ATOM 0 HA CYS A 16 0.098 -6.240 -8.267 1.00 23.10 H new ATOM 0 HB2 CYS A 16 -0.162 -3.951 -7.110 1.00 41.42 H new ATOM 0 HB3 CYS A 16 -1.812 -3.953 -7.699 1.00 41.42 H new ATOM 0 HG CYS A 16 -2.782 -5.465 -5.803 1.00 33.42 H new ATOM 277 N SER A 17 -2.176 -5.498 -10.411 1.00 30.44 N ATOM 278 CA SER A 17 -3.335 -5.995 -11.144 1.00 2.34 C ATOM 279 C SER A 17 -3.165 -7.470 -11.495 1.00 4.42 C ATOM 280 O SER A 17 -4.142 -8.184 -11.710 1.00 35.30 O ATOM 281 CB SER A 17 -3.547 -5.176 -12.419 1.00 31.34 C ATOM 282 OG SER A 17 -4.894 -5.248 -12.853 1.00 32.35 O ATOM 0 H SER A 17 -1.713 -4.700 -10.845 1.00 30.44 H new ATOM 0 HA SER A 17 -4.211 -5.891 -10.504 1.00 2.34 H new ATOM 0 HB2 SER A 17 -3.275 -4.136 -12.236 1.00 31.34 H new ATOM 0 HB3 SER A 17 -2.888 -5.544 -13.205 1.00 31.34 H new ATOM 0 HG SER A 17 -5.004 -4.715 -13.668 1.00 32.35 H new ATOM 288 N ASN A 18 -1.915 -7.918 -11.551 1.00 4.41 N ATOM 289 CA ASN A 18 -1.615 -9.307 -11.877 1.00 25.15 C ATOM 290 C ASN A 18 -1.423 -10.134 -10.609 1.00 14.13 C ATOM 291 O ASN A 18 -0.637 -11.081 -10.585 1.00 1.24 O ATOM 292 CB ASN A 18 -0.359 -9.389 -12.746 1.00 65.05 C ATOM 293 CG ASN A 18 -0.567 -10.240 -13.984 1.00 51.24 C ATOM 294 OD1 ASN A 18 -0.804 -9.721 -15.075 1.00 52.32 O ATOM 295 ND2 ASN A 18 -0.480 -11.555 -13.820 1.00 42.30 N ATOM 0 H ASN A 18 -1.094 -7.339 -11.375 1.00 4.41 H new ATOM 0 HA ASN A 18 -2.460 -9.714 -12.432 1.00 25.15 H new ATOM 0 HB2 ASN A 18 -0.061 -8.384 -13.045 1.00 65.05 H new ATOM 0 HB3 ASN A 18 0.460 -9.802 -12.158 1.00 65.05 H new ATOM 0 HD21 ASN A 18 -0.611 -12.178 -14.617 1.00 42.30 H new ATOM 0 HD22 ASN A 18 -0.282 -11.942 -12.897 1.00 42.30 H new ATOM 302 N VAL A 19 -2.149 -9.770 -9.556 1.00 42.41 N ATOM 303 CA VAL A 19 -2.061 -10.478 -8.285 1.00 30.12 C ATOM 304 C VAL A 19 -3.353 -11.229 -7.984 1.00 70.40 C ATOM 305 O VAL A 19 -4.445 -10.757 -8.299 1.00 31.43 O ATOM 306 CB VAL A 19 -1.759 -9.512 -7.124 1.00 35.24 C ATOM 307 CG1 VAL A 19 -1.718 -10.263 -5.801 1.00 50.04 C ATOM 308 CG2 VAL A 19 -0.451 -8.776 -7.369 1.00 70.25 C ATOM 0 H VAL A 19 -2.805 -8.989 -9.559 1.00 42.41 H new ATOM 0 HA VAL A 19 -1.242 -11.192 -8.376 1.00 30.12 H new ATOM 0 HB VAL A 19 -2.560 -8.774 -7.071 1.00 35.24 H new ATOM 0 HG11 VAL A 19 -1.503 -9.564 -4.992 1.00 50.04 H new ATOM 0 HG12 VAL A 19 -2.682 -10.739 -5.623 1.00 50.04 H new ATOM 0 HG13 VAL A 19 -0.939 -11.024 -5.839 1.00 50.04 H new ATOM 0 HG21 VAL A 19 -0.254 -8.098 -6.539 1.00 70.25 H new ATOM 0 HG22 VAL A 19 0.363 -9.497 -7.450 1.00 70.25 H new ATOM 0 HG23 VAL A 19 -0.523 -8.205 -8.295 1.00 70.25 H new ATOM 318 N ALA A 20 -3.221 -12.402 -7.372 1.00 44.32 N ATOM 319 CA ALA A 20 -4.378 -13.218 -7.026 1.00 43.21 C ATOM 320 C ALA A 20 -4.906 -12.862 -5.640 1.00 63.15 C ATOM 321 O ALA A 20 -4.142 -12.767 -4.680 1.00 31.35 O ATOM 322 CB ALA A 20 -4.021 -14.695 -7.094 1.00 23.33 C ATOM 0 H ALA A 20 -2.324 -12.808 -7.106 1.00 44.32 H new ATOM 0 HA ALA A 20 -5.166 -13.013 -7.750 1.00 43.21 H new ATOM 0 HB1 ALA A 20 -4.894 -15.293 -6.833 1.00 23.33 H new ATOM 0 HB2 ALA A 20 -3.699 -14.945 -8.105 1.00 23.33 H new ATOM 0 HB3 ALA A 20 -3.214 -14.907 -6.393 1.00 23.33 H new ATOM 328 N VAL A 21 -6.217 -12.665 -5.544 1.00 61.34 N ATOM 329 CA VAL A 21 -6.847 -12.320 -4.276 1.00 32.12 C ATOM 330 C VAL A 21 -6.581 -13.388 -3.221 1.00 65.31 C ATOM 331 O VAL A 21 -6.605 -13.112 -2.023 1.00 2.14 O ATOM 332 CB VAL A 21 -8.369 -12.141 -4.435 1.00 45.55 C ATOM 333 CG1 VAL A 21 -9.005 -11.767 -3.105 1.00 42.24 C ATOM 334 CG2 VAL A 21 -8.672 -11.092 -5.495 1.00 15.34 C ATOM 0 H VAL A 21 -6.863 -12.739 -6.330 1.00 61.34 H new ATOM 0 HA VAL A 21 -6.409 -11.376 -3.953 1.00 32.12 H new ATOM 0 HB VAL A 21 -8.798 -13.089 -4.760 1.00 45.55 H new ATOM 0 HG11 VAL A 21 -10.080 -11.645 -3.237 1.00 42.24 H new ATOM 0 HG12 VAL A 21 -8.816 -12.556 -2.377 1.00 42.24 H new ATOM 0 HG13 VAL A 21 -8.575 -10.832 -2.746 1.00 42.24 H new ATOM 0 HG21 VAL A 21 -9.751 -10.977 -5.595 1.00 15.34 H new ATOM 0 HG22 VAL A 21 -8.232 -10.139 -5.200 1.00 15.34 H new ATOM 0 HG23 VAL A 21 -8.250 -11.407 -6.450 1.00 15.34 H new ATOM 344 N GLY A 22 -6.325 -14.611 -3.676 1.00 73.24 N ATOM 345 CA GLY A 22 -6.057 -15.703 -2.759 1.00 71.31 C ATOM 346 C GLY A 22 -5.184 -16.778 -3.376 1.00 43.41 C ATOM 347 O GLY A 22 -4.900 -16.745 -4.574 1.00 21.44 O ATOM 0 H GLY A 22 -6.299 -14.865 -4.664 1.00 73.24 H new ATOM 0 HA2 GLY A 22 -5.570 -15.312 -1.866 1.00 71.31 H new ATOM 0 HA3 GLY A 22 -7.001 -16.145 -2.440 1.00 71.31 H new ATOM 351 N VAL A 23 -4.754 -17.732 -2.557 1.00 34.24 N ATOM 352 CA VAL A 23 -3.907 -18.821 -3.029 1.00 34.04 C ATOM 353 C VAL A 23 -4.746 -19.993 -3.526 1.00 24.54 C ATOM 354 O VAL A 23 -4.324 -20.743 -4.406 1.00 0.34 O ATOM 355 CB VAL A 23 -2.959 -19.315 -1.920 1.00 72.41 C ATOM 356 CG1 VAL A 23 -3.753 -19.854 -0.739 1.00 63.15 C ATOM 357 CG2 VAL A 23 -2.011 -20.374 -2.463 1.00 52.14 C ATOM 0 H VAL A 23 -4.978 -17.773 -1.563 1.00 34.24 H new ATOM 0 HA VAL A 23 -3.314 -18.427 -3.854 1.00 34.04 H new ATOM 0 HB VAL A 23 -2.364 -18.471 -1.572 1.00 72.41 H new ATOM 0 HG11 VAL A 23 -3.066 -20.198 0.034 1.00 63.15 H new ATOM 0 HG12 VAL A 23 -4.387 -19.064 -0.336 1.00 63.15 H new ATOM 0 HG13 VAL A 23 -4.375 -20.686 -1.068 1.00 63.15 H new ATOM 0 HG21 VAL A 23 -1.348 -20.712 -1.666 1.00 52.14 H new ATOM 0 HG22 VAL A 23 -2.587 -21.220 -2.839 1.00 52.14 H new ATOM 0 HG23 VAL A 23 -1.418 -19.950 -3.273 1.00 52.14 H new ATOM 436 N LYS A 29 -8.134 -12.064 -10.217 1.00 51.24 N ATOM 437 CA LYS A 29 -7.122 -11.043 -9.973 1.00 54.33 C ATOM 438 C LYS A 29 -7.760 -9.757 -9.457 1.00 34.13 C ATOM 439 O LYS A 29 -8.900 -9.438 -9.796 1.00 32.23 O ATOM 440 CB LYS A 29 -6.338 -10.756 -11.256 1.00 10.34 C ATOM 441 CG LYS A 29 -5.540 -11.946 -11.759 1.00 44.44 C ATOM 442 CD LYS A 29 -5.241 -11.829 -13.245 1.00 15.53 C ATOM 443 CE LYS A 29 -4.686 -13.128 -13.806 1.00 22.52 C ATOM 444 NZ LYS A 29 -3.723 -12.887 -14.916 1.00 2.33 N ATOM 0 HA LYS A 29 -6.438 -11.419 -9.212 1.00 54.33 H new ATOM 0 HB2 LYS A 29 -7.033 -10.440 -12.034 1.00 10.34 H new ATOM 0 HB3 LYS A 29 -5.659 -9.922 -11.078 1.00 10.34 H new ATOM 0 HG2 LYS A 29 -4.605 -12.019 -11.203 1.00 44.44 H new ATOM 0 HG3 LYS A 29 -6.096 -12.864 -11.570 1.00 44.44 H new ATOM 0 HD2 LYS A 29 -6.152 -11.560 -13.780 1.00 15.53 H new ATOM 0 HD3 LYS A 29 -4.525 -11.024 -13.411 1.00 15.53 H new ATOM 0 HE2 LYS A 29 -4.191 -13.685 -13.010 1.00 22.52 H new ATOM 0 HE3 LYS A 29 -5.507 -13.748 -14.166 1.00 22.52 H new ATOM 0 HZ1 LYS A 29 -3.368 -13.798 -15.271 1.00 2.33 H new ATOM 0 HZ2 LYS A 29 -4.202 -12.378 -15.686 1.00 2.33 H new ATOM 0 HZ3 LYS A 29 -2.926 -12.317 -14.567 1.00 2.33 H new ATOM 458 N PHE A 30 -7.018 -9.022 -8.636 1.00 1.22 N ATOM 459 CA PHE A 30 -7.511 -7.770 -8.073 1.00 33.21 C ATOM 460 C PHE A 30 -7.416 -6.640 -9.094 1.00 34.13 C ATOM 461 O PHE A 30 -6.969 -6.843 -10.222 1.00 34.53 O ATOM 462 CB PHE A 30 -6.720 -7.405 -6.816 1.00 4.34 C ATOM 463 CG PHE A 30 -7.396 -7.819 -5.540 1.00 2.10 C ATOM 464 CD1 PHE A 30 -8.689 -7.408 -5.261 1.00 12.41 C ATOM 465 CD2 PHE A 30 -6.738 -8.620 -4.620 1.00 54.13 C ATOM 466 CE1 PHE A 30 -9.313 -7.787 -4.087 1.00 53.35 C ATOM 467 CE2 PHE A 30 -7.358 -9.003 -3.445 1.00 43.42 C ATOM 468 CZ PHE A 30 -8.647 -8.586 -3.179 1.00 73.11 C ATOM 0 H PHE A 30 -6.073 -9.272 -8.345 1.00 1.22 H new ATOM 0 HA PHE A 30 -8.559 -7.908 -7.807 1.00 33.21 H new ATOM 0 HB2 PHE A 30 -5.737 -7.874 -6.866 1.00 4.34 H new ATOM 0 HB3 PHE A 30 -6.558 -6.327 -6.799 1.00 4.34 H new ATOM 0 HD1 PHE A 30 -9.216 -6.785 -5.968 1.00 12.41 H new ATOM 0 HD2 PHE A 30 -5.730 -8.949 -4.823 1.00 54.13 H new ATOM 0 HE1 PHE A 30 -10.321 -7.458 -3.880 1.00 53.35 H new ATOM 0 HE2 PHE A 30 -6.835 -9.628 -2.736 1.00 43.42 H new ATOM 0 HZ PHE A 30 -9.134 -8.884 -2.262 1.00 73.11 H new ATOM 478 N GLY A 31 -7.842 -5.447 -8.688 1.00 64.15 N ATOM 479 CA GLY A 31 -7.797 -4.302 -9.579 1.00 34.01 C ATOM 480 C GLY A 31 -7.654 -2.991 -8.831 1.00 72.31 C ATOM 481 O GLY A 31 -7.706 -2.962 -7.602 1.00 72.40 O ATOM 0 H GLY A 31 -8.217 -5.254 -7.759 1.00 64.15 H new ATOM 0 HA2 GLY A 31 -6.962 -4.416 -10.270 1.00 34.01 H new ATOM 0 HA3 GLY A 31 -8.706 -4.277 -10.180 1.00 34.01 H new ATOM 485 N GLU A 32 -7.472 -1.904 -9.574 1.00 63.44 N ATOM 486 CA GLU A 32 -7.318 -0.585 -8.973 1.00 22.24 C ATOM 487 C GLU A 32 -8.520 -0.243 -8.098 1.00 12.34 C ATOM 488 O GLU A 32 -8.368 0.210 -6.964 1.00 1.10 O ATOM 489 CB GLU A 32 -7.144 0.478 -10.059 1.00 13.31 C ATOM 490 CG GLU A 32 -6.689 1.826 -9.524 1.00 72.13 C ATOM 491 CD GLU A 32 -5.927 2.635 -10.555 1.00 43.23 C ATOM 492 OE1 GLU A 32 -6.012 2.300 -11.755 1.00 54.21 O ATOM 493 OE2 GLU A 32 -5.244 3.604 -10.161 1.00 53.34 O ATOM 0 H GLU A 32 -7.428 -1.911 -10.593 1.00 63.44 H new ATOM 0 HA GLU A 32 -6.427 -0.601 -8.346 1.00 22.24 H new ATOM 0 HB2 GLU A 32 -6.418 0.123 -10.790 1.00 13.31 H new ATOM 0 HB3 GLU A 32 -8.090 0.606 -10.585 1.00 13.31 H new ATOM 0 HG2 GLU A 32 -7.559 2.394 -9.192 1.00 72.13 H new ATOM 0 HG3 GLU A 32 -6.057 1.671 -8.649 1.00 72.13 H new ATOM 500 N GLY A 33 -9.717 -0.462 -8.634 1.00 61.40 N ATOM 501 CA GLY A 33 -10.928 -0.171 -7.890 1.00 32.23 C ATOM 502 C GLY A 33 -10.971 -0.881 -6.551 1.00 71.33 C ATOM 503 O GLY A 33 -11.403 -0.309 -5.551 1.00 64.33 O ATOM 0 H GLY A 33 -9.869 -0.836 -9.571 1.00 61.40 H new ATOM 0 HA2 GLY A 33 -11.003 0.905 -7.730 1.00 32.23 H new ATOM 0 HA3 GLY A 33 -11.794 -0.466 -8.482 1.00 32.23 H new ATOM 507 N ASN A 34 -10.524 -2.133 -6.532 1.00 42.25 N ATOM 508 CA ASN A 34 -10.515 -2.923 -5.307 1.00 32.02 C ATOM 509 C ASN A 34 -9.598 -2.295 -4.261 1.00 70.54 C ATOM 510 O ASN A 34 -9.992 -2.099 -3.112 1.00 13.22 O ATOM 511 CB ASN A 34 -10.066 -4.355 -5.602 1.00 24.41 C ATOM 512 CG ASN A 34 -11.154 -5.178 -6.263 1.00 72.35 C ATOM 513 OD1 ASN A 34 -12.039 -5.711 -5.593 1.00 41.03 O ATOM 514 ND2 ASN A 34 -11.093 -5.286 -7.586 1.00 13.13 N ATOM 0 H ASN A 34 -10.163 -2.622 -7.351 1.00 42.25 H new ATOM 0 HA ASN A 34 -11.530 -2.943 -4.910 1.00 32.02 H new ATOM 0 HB2 ASN A 34 -9.189 -4.332 -6.248 1.00 24.41 H new ATOM 0 HB3 ASN A 34 -9.764 -4.837 -4.672 1.00 24.41 H new ATOM 0 HD21 ASN A 34 -11.798 -5.828 -8.087 1.00 13.13 H new ATOM 0 HD22 ASN A 34 -10.342 -4.827 -8.101 1.00 13.13 H new ATOM 521 N PHE A 35 -8.372 -1.983 -4.669 1.00 15.41 N ATOM 522 CA PHE A 35 -7.398 -1.377 -3.768 1.00 74.51 C ATOM 523 C PHE A 35 -7.923 -0.060 -3.205 1.00 74.00 C ATOM 524 O PHE A 35 -7.680 0.273 -2.045 1.00 65.31 O ATOM 525 CB PHE A 35 -6.075 -1.142 -4.498 1.00 44.41 C ATOM 526 CG PHE A 35 -5.583 -2.344 -5.252 1.00 30.33 C ATOM 527 CD1 PHE A 35 -5.595 -3.599 -4.664 1.00 3.00 C ATOM 528 CD2 PHE A 35 -5.109 -2.220 -6.548 1.00 23.04 C ATOM 529 CE1 PHE A 35 -5.143 -4.708 -5.355 1.00 14.12 C ATOM 530 CE2 PHE A 35 -4.657 -3.325 -7.243 1.00 64.34 C ATOM 531 CZ PHE A 35 -4.673 -4.571 -6.646 1.00 2.51 C ATOM 0 H PHE A 35 -8.030 -2.140 -5.617 1.00 15.41 H new ATOM 0 HA PHE A 35 -7.230 -2.064 -2.939 1.00 74.51 H new ATOM 0 HB2 PHE A 35 -6.196 -0.312 -5.194 1.00 44.41 H new ATOM 0 HB3 PHE A 35 -5.318 -0.843 -3.773 1.00 44.41 H new ATOM 0 HD1 PHE A 35 -5.962 -3.712 -3.654 1.00 3.00 H new ATOM 0 HD2 PHE A 35 -5.093 -1.249 -7.020 1.00 23.04 H new ATOM 0 HE1 PHE A 35 -5.158 -5.680 -4.885 1.00 14.12 H new ATOM 0 HE2 PHE A 35 -4.291 -3.215 -8.253 1.00 64.34 H new ATOM 0 HZ PHE A 35 -4.319 -5.436 -7.188 1.00 2.51 H new ATOM 541 N ARG A 36 -8.645 0.686 -4.035 1.00 61.24 N ATOM 542 CA ARG A 36 -9.203 1.968 -3.622 1.00 31.40 C ATOM 543 C ARG A 36 -10.182 1.787 -2.466 1.00 33.42 C ATOM 544 O ARG A 36 -10.087 2.470 -1.446 1.00 53.15 O ATOM 545 CB ARG A 36 -9.907 2.645 -4.799 1.00 61.03 C ATOM 546 CG ARG A 36 -9.004 2.871 -6.001 1.00 3.04 C ATOM 547 CD ARG A 36 -8.781 4.353 -6.259 1.00 71.13 C ATOM 548 NE ARG A 36 -9.766 4.900 -7.188 1.00 50.34 N ATOM 549 CZ ARG A 36 -9.794 6.174 -7.563 1.00 52.40 C ATOM 550 NH1 ARG A 36 -8.896 7.028 -7.091 1.00 33.25 N ATOM 551 NH2 ARG A 36 -10.722 6.597 -8.413 1.00 2.15 N ATOM 0 H ARG A 36 -8.857 0.424 -4.998 1.00 61.24 H new ATOM 0 HA ARG A 36 -8.382 2.602 -3.285 1.00 31.40 H new ATOM 0 HB2 ARG A 36 -10.757 2.034 -5.103 1.00 61.03 H new ATOM 0 HB3 ARG A 36 -10.306 3.604 -4.470 1.00 61.03 H new ATOM 0 HG2 ARG A 36 -8.045 2.381 -5.834 1.00 3.04 H new ATOM 0 HG3 ARG A 36 -9.448 2.410 -6.883 1.00 3.04 H new ATOM 0 HD2 ARG A 36 -8.831 4.897 -5.316 1.00 71.13 H new ATOM 0 HD3 ARG A 36 -7.779 4.504 -6.662 1.00 71.13 H new ATOM 0 HE ARG A 36 -10.471 4.269 -7.570 1.00 50.34 H new ATOM 0 HH11 ARG A 36 -8.181 6.707 -6.438 1.00 33.25 H new ATOM 0 HH12 ARG A 36 -8.920 8.006 -7.381 1.00 33.25 H new ATOM 0 HH21 ARG A 36 -11.414 5.943 -8.779 1.00 2.15 H new ATOM 0 HH22 ARG A 36 -10.743 7.576 -8.700 1.00 2.15 H new ATOM 565 N TRP A 37 -11.122 0.863 -2.633 1.00 22.14 N ATOM 566 CA TRP A 37 -12.119 0.593 -1.603 1.00 20.30 C ATOM 567 C TRP A 37 -11.452 0.211 -0.286 1.00 51.20 C ATOM 568 O TRP A 37 -11.872 0.652 0.783 1.00 3.53 O ATOM 569 CB TRP A 37 -13.059 -0.526 -2.056 1.00 12.44 C ATOM 570 CG TRP A 37 -14.002 -0.980 -0.982 1.00 42.15 C ATOM 571 CD1 TRP A 37 -15.283 -0.552 -0.783 1.00 33.45 C ATOM 572 CD2 TRP A 37 -13.736 -1.948 0.038 1.00 4.34 C ATOM 573 NE1 TRP A 37 -15.830 -1.196 0.301 1.00 21.33 N ATOM 574 CE2 TRP A 37 -14.901 -2.058 0.822 1.00 71.01 C ATOM 575 CE3 TRP A 37 -12.627 -2.733 0.366 1.00 73.32 C ATOM 576 CZ2 TRP A 37 -14.986 -2.921 1.911 1.00 35.11 C ATOM 577 CZ3 TRP A 37 -12.714 -3.589 1.447 1.00 25.23 C ATOM 578 CH2 TRP A 37 -13.886 -3.678 2.209 1.00 33.30 C ATOM 0 H TRP A 37 -11.215 0.289 -3.471 1.00 22.14 H new ATOM 0 HA TRP A 37 -12.698 1.503 -1.445 1.00 20.30 H new ATOM 0 HB2 TRP A 37 -13.636 -0.181 -2.914 1.00 12.44 H new ATOM 0 HB3 TRP A 37 -12.465 -1.376 -2.392 1.00 12.44 H new ATOM 0 HD1 TRP A 37 -15.792 0.184 -1.388 1.00 33.45 H new ATOM 0 HE1 TRP A 37 -16.774 -1.055 0.660 1.00 21.33 H new ATOM 0 HE3 TRP A 37 -11.719 -2.672 -0.215 1.00 73.32 H new ATOM 0 HZ2 TRP A 37 -15.889 -2.991 2.500 1.00 35.11 H new ATOM 0 HZ3 TRP A 37 -11.863 -4.200 1.709 1.00 25.23 H new ATOM 0 HH2 TRP A 37 -13.922 -4.357 3.048 1.00 33.30 H new ATOM 589 N ALA A 38 -10.411 -0.611 -0.371 1.00 53.11 N ATOM 590 CA ALA A 38 -9.685 -1.049 0.814 1.00 34.54 C ATOM 591 C ALA A 38 -8.897 0.100 1.432 1.00 11.51 C ATOM 592 O ALA A 38 -9.131 0.479 2.580 1.00 24.25 O ATOM 593 CB ALA A 38 -8.756 -2.203 0.467 1.00 4.23 C ATOM 0 H ALA A 38 -10.052 -0.987 -1.249 1.00 53.11 H new ATOM 0 HA ALA A 38 -10.413 -1.391 1.549 1.00 34.54 H new ATOM 0 HB1 ALA A 38 -8.220 -2.520 1.362 1.00 4.23 H new ATOM 0 HB2 ALA A 38 -9.341 -3.037 0.080 1.00 4.23 H new ATOM 0 HB3 ALA A 38 -8.041 -1.879 -0.289 1.00 4.23 H new ATOM 599 N ILE A 39 -7.963 0.652 0.664 1.00 75.50 N ATOM 600 CA ILE A 39 -7.142 1.759 1.137 1.00 65.53 C ATOM 601 C ILE A 39 -8.005 2.884 1.696 1.00 44.41 C ATOM 602 O ILE A 39 -7.835 3.299 2.843 1.00 75.22 O ATOM 603 CB ILE A 39 -6.252 2.319 0.012 1.00 44.42 C ATOM 604 CG1 ILE A 39 -5.340 1.222 -0.542 1.00 1.41 C ATOM 605 CG2 ILE A 39 -5.428 3.492 0.523 1.00 52.22 C ATOM 606 CD1 ILE A 39 -4.802 1.524 -1.923 1.00 74.44 C ATOM 0 H ILE A 39 -7.756 0.350 -0.288 1.00 75.50 H new ATOM 0 HA ILE A 39 -6.506 1.365 1.930 1.00 65.53 H new ATOM 0 HB ILE A 39 -6.893 2.674 -0.795 1.00 44.42 H new ATOM 0 HG12 ILE A 39 -4.503 1.077 0.141 1.00 1.41 H new ATOM 0 HG13 ILE A 39 -5.892 0.283 -0.573 1.00 1.41 H new ATOM 0 HG21 ILE A 39 -4.804 3.877 -0.284 1.00 52.22 H new ATOM 0 HG22 ILE A 39 -6.095 4.280 0.874 1.00 52.22 H new ATOM 0 HG23 ILE A 39 -4.794 3.160 1.345 1.00 52.22 H new ATOM 0 HD11 ILE A 39 -4.164 0.704 -2.252 1.00 74.44 H new ATOM 0 HD12 ILE A 39 -5.632 1.640 -2.620 1.00 74.44 H new ATOM 0 HD13 ILE A 39 -4.222 2.446 -1.894 1.00 74.44 H new ATOM 618 N ARG A 40 -8.931 3.374 0.879 1.00 52.03 N ATOM 619 CA ARG A 40 -9.822 4.452 1.292 1.00 60.32 C ATOM 620 C ARG A 40 -10.504 4.116 2.615 1.00 2.41 C ATOM 621 O ARG A 40 -10.544 4.939 3.530 1.00 71.34 O ATOM 622 CB ARG A 40 -10.876 4.712 0.214 1.00 11.22 C ATOM 623 CG ARG A 40 -11.795 5.881 0.531 1.00 31.30 C ATOM 624 CD ARG A 40 -12.477 6.409 -0.722 1.00 21.45 C ATOM 625 NE ARG A 40 -11.870 7.650 -1.193 1.00 44.23 N ATOM 626 CZ ARG A 40 -12.038 8.824 -0.595 1.00 3.20 C ATOM 627 NH1 ARG A 40 -12.790 8.916 0.493 1.00 72.02 N ATOM 628 NH2 ARG A 40 -11.452 9.910 -1.084 1.00 61.44 N ATOM 0 H ARG A 40 -9.084 3.042 -0.073 1.00 52.03 H new ATOM 0 HA ARG A 40 -9.223 5.352 1.430 1.00 60.32 H new ATOM 0 HB2 ARG A 40 -10.374 4.902 -0.735 1.00 11.22 H new ATOM 0 HB3 ARG A 40 -11.478 3.813 0.082 1.00 11.22 H new ATOM 0 HG2 ARG A 40 -12.549 5.567 1.252 1.00 31.30 H new ATOM 0 HG3 ARG A 40 -11.220 6.681 0.998 1.00 31.30 H new ATOM 0 HD2 ARG A 40 -12.422 5.657 -1.509 1.00 21.45 H new ATOM 0 HD3 ARG A 40 -13.534 6.578 -0.516 1.00 21.45 H new ATOM 0 HE ARG A 40 -11.284 7.614 -2.027 1.00 44.23 H new ATOM 0 HH11 ARG A 40 -13.241 8.084 0.873 1.00 72.02 H new ATOM 0 HH12 ARG A 40 -12.917 9.819 0.950 1.00 72.02 H new ATOM 0 HH21 ARG A 40 -10.872 9.844 -1.920 1.00 61.44 H new ATOM 0 HH22 ARG A 40 -11.582 10.811 -0.624 1.00 61.44 H new ATOM 642 N MET A 41 -11.039 2.903 2.708 1.00 1.43 N ATOM 643 CA MET A 41 -11.718 2.459 3.920 1.00 55.51 C ATOM 644 C MET A 41 -10.836 2.670 5.146 1.00 14.53 C ATOM 645 O MET A 41 -11.310 3.104 6.196 1.00 35.31 O ATOM 646 CB MET A 41 -12.104 0.984 3.802 1.00 31.43 C ATOM 647 CG MET A 41 -13.515 0.764 3.281 1.00 61.20 C ATOM 648 SD MET A 41 -14.715 0.522 4.605 1.00 41.40 S ATOM 649 CE MET A 41 -16.253 0.643 3.694 1.00 4.35 C ATOM 0 H MET A 41 -11.016 2.211 1.959 1.00 1.43 H new ATOM 0 HA MET A 41 -12.623 3.055 4.039 1.00 55.51 H new ATOM 0 HB2 MET A 41 -11.399 0.484 3.138 1.00 31.43 H new ATOM 0 HB3 MET A 41 -12.009 0.513 4.780 1.00 31.43 H new ATOM 0 HG2 MET A 41 -13.813 1.622 2.678 1.00 61.20 H new ATOM 0 HG3 MET A 41 -13.524 -0.106 2.624 1.00 61.20 H new ATOM 0 HE1 MET A 41 -17.092 0.514 4.378 1.00 4.35 H new ATOM 0 HE2 MET A 41 -16.319 1.622 3.220 1.00 4.35 H new ATOM 0 HE3 MET A 41 -16.285 -0.133 2.930 1.00 4.35 H new ATOM 659 N ALA A 42 -9.552 2.361 5.006 1.00 44.10 N ATOM 660 CA ALA A 42 -8.604 2.519 6.102 1.00 23.31 C ATOM 661 C ALA A 42 -8.317 3.992 6.373 1.00 75.22 C ATOM 662 O ALA A 42 -8.252 4.419 7.524 1.00 2.53 O ATOM 663 CB ALA A 42 -7.312 1.776 5.794 1.00 51.03 C ATOM 0 H ALA A 42 -9.144 2.000 4.144 1.00 44.10 H new ATOM 0 HA ALA A 42 -9.051 2.092 7.000 1.00 23.31 H new ATOM 0 HB1 ALA A 42 -6.613 1.903 6.621 1.00 51.03 H new ATOM 0 HB2 ALA A 42 -7.525 0.716 5.659 1.00 51.03 H new ATOM 0 HB3 ALA A 42 -6.871 2.177 4.881 1.00 51.03 H new ATOM 669 N ASN A 43 -8.147 4.763 5.304 1.00 72.03 N ATOM 670 CA ASN A 43 -7.866 6.189 5.427 1.00 75.23 C ATOM 671 C ASN A 43 -8.947 6.887 6.247 1.00 41.22 C ATOM 672 O ASN A 43 -8.683 7.881 6.923 1.00 2.33 O ATOM 673 CB ASN A 43 -7.766 6.831 4.042 1.00 54.42 C ATOM 674 CG ASN A 43 -6.502 7.653 3.876 1.00 75.24 C ATOM 675 OD1 ASN A 43 -5.393 7.122 3.923 1.00 61.42 O ATOM 676 ND2 ASN A 43 -6.666 8.956 3.680 1.00 45.10 N ATOM 0 H ASN A 43 -8.199 4.425 4.343 1.00 72.03 H new ATOM 0 HA ASN A 43 -6.913 6.304 5.943 1.00 75.23 H new ATOM 0 HB2 ASN A 43 -7.792 6.052 3.280 1.00 54.42 H new ATOM 0 HB3 ASN A 43 -8.635 7.468 3.876 1.00 54.42 H new ATOM 0 HD21 ASN A 43 -5.853 9.560 3.561 1.00 45.10 H new ATOM 0 HD22 ASN A 43 -7.605 9.353 3.648 1.00 45.10 H new ATOM 683 N VAL A 44 -10.165 6.359 6.182 1.00 12.50 N ATOM 684 CA VAL A 44 -11.286 6.930 6.919 1.00 1.55 C ATOM 685 C VAL A 44 -11.269 6.484 8.377 1.00 11.11 C ATOM 686 O VAL A 44 -11.151 7.305 9.287 1.00 30.30 O ATOM 687 CB VAL A 44 -12.634 6.534 6.288 1.00 23.11 C ATOM 688 CG1 VAL A 44 -13.785 7.206 7.020 1.00 0.33 C ATOM 689 CG2 VAL A 44 -12.653 6.887 4.809 1.00 40.24 C ATOM 0 H VAL A 44 -10.401 5.537 5.626 1.00 12.50 H new ATOM 0 HA VAL A 44 -11.176 8.013 6.872 1.00 1.55 H new ATOM 0 HB VAL A 44 -12.757 5.455 6.382 1.00 23.11 H new ATOM 0 HG11 VAL A 44 -14.729 6.914 6.560 1.00 0.33 H new ATOM 0 HG12 VAL A 44 -13.781 6.898 8.066 1.00 0.33 H new ATOM 0 HG13 VAL A 44 -13.672 8.288 6.960 1.00 0.33 H new ATOM 0 HG21 VAL A 44 -13.613 6.600 4.379 1.00 40.24 H new ATOM 0 HG22 VAL A 44 -12.508 7.961 4.689 1.00 40.24 H new ATOM 0 HG23 VAL A 44 -11.852 6.353 4.297 1.00 40.24 H new ATOM 699 N SER A 45 -11.387 5.178 8.592 1.00 75.33 N ATOM 700 CA SER A 45 -11.389 4.621 9.940 1.00 52.54 C ATOM 701 C SER A 45 -10.172 5.100 10.726 1.00 35.41 C ATOM 702 O SER A 45 -10.261 5.379 11.922 1.00 15.52 O ATOM 703 CB SER A 45 -11.406 3.093 9.883 1.00 23.33 C ATOM 704 OG SER A 45 -10.737 2.534 11.001 1.00 71.12 O ATOM 0 H SER A 45 -11.483 4.485 7.850 1.00 75.33 H new ATOM 0 HA SER A 45 -12.288 4.967 10.449 1.00 52.54 H new ATOM 0 HB2 SER A 45 -12.436 2.738 9.857 1.00 23.33 H new ATOM 0 HB3 SER A 45 -10.929 2.755 8.963 1.00 23.33 H new ATOM 0 HG SER A 45 -10.763 1.556 10.942 1.00 71.12 H new ATOM 710 N THR A 46 -9.034 5.191 10.045 1.00 11.05 N ATOM 711 CA THR A 46 -7.798 5.634 10.679 1.00 74.33 C ATOM 712 C THR A 46 -7.362 6.992 10.142 1.00 3.13 C ATOM 713 O THR A 46 -6.189 7.201 9.836 1.00 42.53 O ATOM 714 CB THR A 46 -6.661 4.618 10.461 1.00 45.51 C ATOM 715 OG1 THR A 46 -6.204 4.678 9.105 1.00 3.11 O ATOM 716 CG2 THR A 46 -7.126 3.206 10.783 1.00 51.51 C ATOM 0 H THR A 46 -8.942 4.964 9.055 1.00 11.05 H new ATOM 0 HA THR A 46 -8.001 5.717 11.747 1.00 74.33 H new ATOM 0 HB THR A 46 -5.841 4.874 11.132 1.00 45.51 H new ATOM 0 HG1 THR A 46 -6.971 4.789 8.506 1.00 3.11 H new ATOM 0 HG21 THR A 46 -6.305 2.507 10.621 1.00 51.51 H new ATOM 0 HG22 THR A 46 -7.445 3.157 11.824 1.00 51.51 H new ATOM 0 HG23 THR A 46 -7.961 2.941 10.135 1.00 51.51 H new ATOM 851 N THR A 56 5.047 6.931 3.048 1.00 35.14 N ATOM 852 CA THR A 56 6.134 6.282 3.769 1.00 21.23 C ATOM 853 C THR A 56 5.752 4.865 4.182 1.00 72.12 C ATOM 854 O THR A 56 4.685 4.641 4.755 1.00 73.32 O ATOM 855 CB THR A 56 6.531 7.080 5.025 1.00 1.42 C ATOM 856 OG1 THR A 56 5.528 6.934 6.036 1.00 30.24 O ATOM 857 CG2 THR A 56 6.713 8.554 4.694 1.00 1.02 C ATOM 0 HA THR A 56 6.984 6.243 3.088 1.00 21.23 H new ATOM 0 HB THR A 56 7.478 6.686 5.394 1.00 1.42 H new ATOM 0 HG1 THR A 56 5.910 7.157 6.910 1.00 30.24 H new ATOM 0 HG21 THR A 56 6.993 9.098 5.596 1.00 1.02 H new ATOM 0 HG22 THR A 56 7.498 8.665 3.945 1.00 1.02 H new ATOM 0 HG23 THR A 56 5.779 8.957 4.303 1.00 1.02 H new ATOM 865 N LEU A 57 6.629 3.911 3.888 1.00 12.41 N ATOM 866 CA LEU A 57 6.383 2.515 4.230 1.00 63.54 C ATOM 867 C LEU A 57 6.062 2.365 5.713 1.00 23.03 C ATOM 868 O LEU A 57 5.284 1.495 6.106 1.00 41.43 O ATOM 869 CB LEU A 57 7.600 1.660 3.871 1.00 61.22 C ATOM 870 CG LEU A 57 7.659 1.146 2.432 1.00 54.13 C ATOM 871 CD1 LEU A 57 6.509 0.188 2.160 1.00 43.13 C ATOM 872 CD2 LEU A 57 7.631 2.308 1.449 1.00 31.12 C ATOM 0 H LEU A 57 7.516 4.079 3.414 1.00 12.41 H new ATOM 0 HA LEU A 57 5.523 2.172 3.655 1.00 63.54 H new ATOM 0 HB2 LEU A 57 8.499 2.245 4.064 1.00 61.22 H new ATOM 0 HB3 LEU A 57 7.627 0.802 4.543 1.00 61.22 H new ATOM 0 HG LEU A 57 8.596 0.605 2.298 1.00 54.13 H new ATOM 0 HD11 LEU A 57 6.567 -0.168 1.131 1.00 43.13 H new ATOM 0 HD12 LEU A 57 6.573 -0.660 2.841 1.00 43.13 H new ATOM 0 HD13 LEU A 57 5.561 0.705 2.312 1.00 43.13 H new ATOM 0 HD21 LEU A 57 7.674 1.924 0.430 1.00 31.12 H new ATOM 0 HD22 LEU A 57 6.711 2.877 1.584 1.00 31.12 H new ATOM 0 HD23 LEU A 57 8.488 2.957 1.628 1.00 31.12 H new ATOM 884 N ASP A 58 6.665 3.219 6.533 1.00 51.54 N ATOM 885 CA ASP A 58 6.441 3.185 7.973 1.00 31.12 C ATOM 886 C ASP A 58 4.996 3.542 8.307 1.00 32.41 C ATOM 887 O ASP A 58 4.378 2.922 9.173 1.00 5.20 O ATOM 888 CB ASP A 58 7.394 4.148 8.682 1.00 10.23 C ATOM 889 CG ASP A 58 7.715 3.708 10.097 1.00 64.00 C ATOM 890 OD1 ASP A 58 7.022 2.804 10.609 1.00 43.24 O ATOM 891 OD2 ASP A 58 8.660 4.268 10.693 1.00 73.21 O ATOM 0 H ASP A 58 7.313 3.944 6.224 1.00 51.54 H new ATOM 0 HA ASP A 58 6.636 2.171 8.322 1.00 31.12 H new ATOM 0 HB2 ASP A 58 8.319 4.226 8.110 1.00 10.23 H new ATOM 0 HB3 ASP A 58 6.949 5.143 8.706 1.00 10.23 H new ATOM 896 N GLN A 59 4.464 4.544 7.615 1.00 30.00 N ATOM 897 CA GLN A 59 3.092 4.984 7.840 1.00 21.31 C ATOM 898 C GLN A 59 2.098 3.918 7.390 1.00 1.12 C ATOM 899 O GLN A 59 1.215 3.518 8.150 1.00 73.14 O ATOM 900 CB GLN A 59 2.825 6.293 7.096 1.00 44.30 C ATOM 901 CG GLN A 59 3.327 7.525 7.833 1.00 64.34 C ATOM 902 CD GLN A 59 2.340 8.030 8.866 1.00 72.31 C ATOM 903 OE1 GLN A 59 1.253 7.474 9.027 1.00 70.44 O ATOM 904 NE2 GLN A 59 2.713 9.089 9.574 1.00 40.43 N ATOM 0 H GLN A 59 4.962 5.066 6.894 1.00 30.00 H new ATOM 0 HA GLN A 59 2.961 5.149 8.909 1.00 21.31 H new ATOM 0 HB2 GLN A 59 3.300 6.248 6.116 1.00 44.30 H new ATOM 0 HB3 GLN A 59 1.753 6.393 6.927 1.00 44.30 H new ATOM 0 HG2 GLN A 59 4.272 7.290 8.323 1.00 64.34 H new ATOM 0 HG3 GLN A 59 3.530 8.317 7.112 1.00 64.34 H new ATOM 0 HE21 GLN A 59 3.623 9.519 9.408 1.00 40.43 H new ATOM 0 HE22 GLN A 59 2.090 9.473 10.284 1.00 40.43 H new ATOM 913 N LEU A 60 2.247 3.462 6.151 1.00 4.34 N ATOM 914 CA LEU A 60 1.362 2.442 5.600 1.00 43.45 C ATOM 915 C LEU A 60 1.381 1.182 6.459 1.00 42.23 C ATOM 916 O LEU A 60 0.332 0.640 6.806 1.00 51.01 O ATOM 917 CB LEU A 60 1.775 2.103 4.166 1.00 33.53 C ATOM 918 CG LEU A 60 0.871 1.118 3.423 1.00 30.13 C ATOM 919 CD1 LEU A 60 -0.103 1.862 2.523 1.00 11.24 C ATOM 920 CD2 LEU A 60 1.705 0.136 2.613 1.00 34.23 C ATOM 0 H LEU A 60 2.972 3.782 5.509 1.00 4.34 H new ATOM 0 HA LEU A 60 0.347 2.840 5.595 1.00 43.45 H new ATOM 0 HB2 LEU A 60 1.818 3.029 3.593 1.00 33.53 H new ATOM 0 HB3 LEU A 60 2.785 1.694 4.187 1.00 33.53 H new ATOM 0 HG LEU A 60 0.296 0.555 4.159 1.00 30.13 H new ATOM 0 HD11 LEU A 60 -0.738 1.145 2.003 1.00 11.24 H new ATOM 0 HD12 LEU A 60 -0.723 2.524 3.127 1.00 11.24 H new ATOM 0 HD13 LEU A 60 0.453 2.451 1.793 1.00 11.24 H new ATOM 0 HD21 LEU A 60 1.046 -0.557 2.091 1.00 34.23 H new ATOM 0 HD22 LEU A 60 2.306 0.682 1.886 1.00 34.23 H new ATOM 0 HD23 LEU A 60 2.362 -0.421 3.281 1.00 34.23 H new ATOM 932 N ARG A 61 2.581 0.723 6.800 1.00 73.23 N ATOM 933 CA ARG A 61 2.736 -0.473 7.619 1.00 1.13 C ATOM 934 C ARG A 61 2.018 -0.313 8.956 1.00 11.11 C ATOM 935 O ARG A 61 1.387 -1.248 9.450 1.00 23.53 O ATOM 936 CB ARG A 61 4.219 -0.765 7.857 1.00 72.24 C ATOM 937 CG ARG A 61 4.469 -2.029 8.663 1.00 30.10 C ATOM 938 CD ARG A 61 5.588 -1.833 9.674 1.00 12.40 C ATOM 939 NE ARG A 61 5.389 -2.641 10.874 1.00 3.00 N ATOM 940 CZ ARG A 61 4.447 -2.396 11.777 1.00 32.24 C ATOM 941 NH1 ARG A 61 3.620 -1.372 11.617 1.00 5.24 N ATOM 942 NH2 ARG A 61 4.329 -3.177 12.844 1.00 70.55 N ATOM 0 H ARG A 61 3.459 1.161 6.522 1.00 73.23 H new ATOM 0 HA ARG A 61 2.289 -1.310 7.083 1.00 1.13 H new ATOM 0 HB2 ARG A 61 4.722 -0.853 6.894 1.00 72.24 H new ATOM 0 HB3 ARG A 61 4.669 0.082 8.376 1.00 72.24 H new ATOM 0 HG2 ARG A 61 3.555 -2.318 9.182 1.00 30.10 H new ATOM 0 HG3 ARG A 61 4.725 -2.847 7.989 1.00 30.10 H new ATOM 0 HD2 ARG A 61 6.541 -2.095 9.215 1.00 12.40 H new ATOM 0 HD3 ARG A 61 5.646 -0.780 9.951 1.00 12.40 H new ATOM 0 HE ARG A 61 6.008 -3.437 11.027 1.00 3.00 H new ATOM 0 HH11 ARG A 61 3.706 -0.770 10.798 1.00 5.24 H new ATOM 0 HH12 ARG A 61 2.897 -1.187 12.313 1.00 5.24 H new ATOM 0 HH21 ARG A 61 4.962 -3.966 12.971 1.00 70.55 H new ATOM 0 HH22 ARG A 61 3.605 -2.988 13.537 1.00 70.55 H new ATOM 956 N LEU A 62 2.118 0.878 9.537 1.00 62.33 N ATOM 957 CA LEU A 62 1.479 1.161 10.817 1.00 73.01 C ATOM 958 C LEU A 62 -0.040 1.173 10.676 1.00 10.31 C ATOM 959 O LEU A 62 -0.755 0.600 11.498 1.00 70.42 O ATOM 960 CB LEU A 62 1.962 2.505 11.365 1.00 64.32 C ATOM 961 CG LEU A 62 2.854 2.442 12.606 1.00 52.14 C ATOM 962 CD1 LEU A 62 2.153 1.694 13.729 1.00 31.10 C ATOM 963 CD2 LEU A 62 4.185 1.784 12.273 1.00 30.14 C ATOM 0 H LEU A 62 2.636 1.663 9.142 1.00 62.33 H new ATOM 0 HA LEU A 62 1.755 0.371 11.515 1.00 73.01 H new ATOM 0 HB2 LEU A 62 2.508 3.022 10.576 1.00 64.32 H new ATOM 0 HB3 LEU A 62 1.089 3.114 11.600 1.00 64.32 H new ATOM 0 HG LEU A 62 3.049 3.460 12.942 1.00 52.14 H new ATOM 0 HD11 LEU A 62 2.802 1.659 14.604 1.00 31.10 H new ATOM 0 HD12 LEU A 62 1.226 2.208 13.985 1.00 31.10 H new ATOM 0 HD13 LEU A 62 1.927 0.678 13.404 1.00 31.10 H new ATOM 0 HD21 LEU A 62 4.807 1.748 13.168 1.00 30.14 H new ATOM 0 HD22 LEU A 62 4.010 0.771 11.912 1.00 30.14 H new ATOM 0 HD23 LEU A 62 4.693 2.362 11.501 1.00 30.14 H new ATOM 975 N VAL A 63 -0.527 1.830 9.627 1.00 23.55 N ATOM 976 CA VAL A 63 -1.960 1.914 9.376 1.00 35.25 C ATOM 977 C VAL A 63 -2.592 0.527 9.326 1.00 40.22 C ATOM 978 O VAL A 63 -3.698 0.319 9.825 1.00 10.34 O ATOM 979 CB VAL A 63 -2.257 2.649 8.056 1.00 2.51 C ATOM 980 CG1 VAL A 63 -3.756 2.717 7.807 1.00 1.43 C ATOM 981 CG2 VAL A 63 -1.647 4.043 8.075 1.00 55.22 C ATOM 0 H VAL A 63 0.051 2.311 8.938 1.00 23.55 H new ATOM 0 HA VAL A 63 -2.393 2.478 10.202 1.00 35.25 H new ATOM 0 HB VAL A 63 -1.803 2.089 7.238 1.00 2.51 H new ATOM 0 HG11 VAL A 63 -3.946 3.240 6.870 1.00 1.43 H new ATOM 0 HG12 VAL A 63 -4.161 1.707 7.747 1.00 1.43 H new ATOM 0 HG13 VAL A 63 -4.237 3.253 8.625 1.00 1.43 H new ATOM 0 HG21 VAL A 63 -1.866 4.549 7.135 1.00 55.22 H new ATOM 0 HG22 VAL A 63 -2.070 4.614 8.901 1.00 55.22 H new ATOM 0 HG23 VAL A 63 -0.567 3.966 8.202 1.00 55.22 H new ATOM 991 N ILE A 64 -1.882 -0.418 8.720 1.00 60.43 N ATOM 992 CA ILE A 64 -2.373 -1.786 8.605 1.00 25.23 C ATOM 993 C ILE A 64 -2.462 -2.454 9.973 1.00 30.31 C ATOM 994 O ILE A 64 -3.526 -2.923 10.378 1.00 75.43 O ATOM 995 CB ILE A 64 -1.469 -2.634 7.691 1.00 43.24 C ATOM 996 CG1 ILE A 64 -1.385 -2.007 6.297 1.00 1.03 C ATOM 997 CG2 ILE A 64 -1.991 -4.060 7.605 1.00 25.31 C ATOM 998 CD1 ILE A 64 -0.208 -2.497 5.484 1.00 64.40 C ATOM 0 H ILE A 64 -0.965 -0.262 8.301 1.00 60.43 H new ATOM 0 HA ILE A 64 -3.369 -1.728 8.165 1.00 25.23 H new ATOM 0 HB ILE A 64 -0.467 -2.660 8.119 1.00 43.24 H new ATOM 0 HG12 ILE A 64 -2.306 -2.222 5.755 1.00 1.03 H new ATOM 0 HG13 ILE A 64 -1.321 -0.924 6.398 1.00 1.03 H new ATOM 0 HG21 ILE A 64 -1.341 -4.647 6.955 1.00 25.31 H new ATOM 0 HG22 ILE A 64 -2.004 -4.503 8.601 1.00 25.31 H new ATOM 0 HG23 ILE A 64 -3.002 -4.053 7.197 1.00 25.31 H new ATOM 0 HD11 ILE A 64 -0.212 -2.011 4.509 1.00 64.40 H new ATOM 0 HD12 ILE A 64 0.719 -2.258 6.005 1.00 64.40 H new ATOM 0 HD13 ILE A 64 -0.281 -3.576 5.352 1.00 64.40 H new ATOM 1010 N CYS A 65 -1.339 -2.492 10.681 1.00 21.23 N ATOM 1011 CA CYS A 65 -1.290 -3.102 12.005 1.00 31.14 C ATOM 1012 C CYS A 65 -2.282 -2.431 12.950 1.00 74.52 C ATOM 1013 O CYS A 65 -2.857 -3.079 13.825 1.00 72.43 O ATOM 1014 CB CYS A 65 0.124 -3.008 12.581 1.00 34.42 C ATOM 1015 SG CYS A 65 0.274 -3.627 14.273 1.00 21.24 S ATOM 0 H CYS A 65 -0.450 -2.108 10.361 1.00 21.23 H new ATOM 0 HA CYS A 65 -1.565 -4.152 11.904 1.00 31.14 H new ATOM 0 HB2 CYS A 65 0.804 -3.568 11.939 1.00 34.42 H new ATOM 0 HB3 CYS A 65 0.446 -1.967 12.556 1.00 34.42 H new ATOM 0 HG CYS A 65 -0.910 -3.754 14.795 1.00 21.24 H new ATOM 1021 N ASP A 66 -2.477 -1.130 12.768 1.00 72.13 N ATOM 1022 CA ASP A 66 -3.400 -0.371 13.604 1.00 44.31 C ATOM 1023 C ASP A 66 -4.847 -0.733 13.284 1.00 24.14 C ATOM 1024 O ASP A 66 -5.570 -1.254 14.135 1.00 43.02 O ATOM 1025 CB ASP A 66 -3.182 1.130 13.408 1.00 44.42 C ATOM 1026 CG ASP A 66 -4.072 1.967 14.305 1.00 74.11 C ATOM 1027 OD1 ASP A 66 -4.228 1.606 15.491 1.00 44.04 O ATOM 1028 OD2 ASP A 66 -4.614 2.983 13.822 1.00 62.03 O ATOM 0 H ASP A 66 -2.008 -0.579 12.049 1.00 72.13 H new ATOM 0 HA ASP A 66 -3.202 -0.627 14.645 1.00 44.31 H new ATOM 0 HB2 ASP A 66 -2.138 1.372 13.609 1.00 44.42 H new ATOM 0 HB3 ASP A 66 -3.374 1.389 12.367 1.00 44.42 H new ATOM 1033 N LEU A 67 -5.263 -0.453 12.054 1.00 33.55 N ATOM 1034 CA LEU A 67 -6.625 -0.749 11.622 1.00 1.02 C ATOM 1035 C LEU A 67 -6.961 -2.220 11.848 1.00 1.41 C ATOM 1036 O LEU A 67 -8.075 -2.557 12.248 1.00 50.34 O ATOM 1037 CB LEU A 67 -6.800 -0.395 10.144 1.00 30.24 C ATOM 1038 CG LEU A 67 -8.037 -0.975 9.457 1.00 21.14 C ATOM 1039 CD1 LEU A 67 -8.781 0.110 8.694 1.00 34.53 C ATOM 1040 CD2 LEU A 67 -7.645 -2.112 8.525 1.00 34.53 C ATOM 0 H LEU A 67 -4.678 -0.022 11.339 1.00 33.55 H new ATOM 0 HA LEU A 67 -7.309 -0.144 12.218 1.00 1.02 H new ATOM 0 HB2 LEU A 67 -6.834 0.691 10.053 1.00 30.24 H new ATOM 0 HB3 LEU A 67 -5.916 -0.733 9.603 1.00 30.24 H new ATOM 0 HG LEU A 67 -8.702 -1.373 10.223 1.00 21.14 H new ATOM 0 HD11 LEU A 67 -9.658 -0.321 8.212 1.00 34.53 H new ATOM 0 HD12 LEU A 67 -9.095 0.892 9.386 1.00 34.53 H new ATOM 0 HD13 LEU A 67 -8.124 0.538 7.937 1.00 34.53 H new ATOM 0 HD21 LEU A 67 -8.538 -2.513 8.045 1.00 34.53 H new ATOM 0 HD22 LEU A 67 -6.960 -1.739 7.764 1.00 34.53 H new ATOM 0 HD23 LEU A 67 -7.156 -2.900 9.098 1.00 34.53 H new ATOM 1052 N GLN A 68 -5.989 -3.089 11.592 1.00 72.44 N ATOM 1053 CA GLN A 68 -6.182 -4.524 11.769 1.00 53.23 C ATOM 1054 C GLN A 68 -6.327 -4.875 13.246 1.00 60.43 C ATOM 1055 O GLN A 68 -7.142 -5.721 13.615 1.00 45.43 O ATOM 1056 CB GLN A 68 -5.010 -5.296 11.161 1.00 74.42 C ATOM 1057 CG GLN A 68 -5.037 -6.785 11.470 1.00 52.43 C ATOM 1058 CD GLN A 68 -3.826 -7.516 10.924 1.00 13.33 C ATOM 1059 OE1 GLN A 68 -2.698 -7.032 11.023 1.00 73.02 O ATOM 1060 NE2 GLN A 68 -4.054 -8.689 10.345 1.00 51.43 N ATOM 0 H GLN A 68 -5.061 -2.825 11.262 1.00 72.44 H new ATOM 0 HA GLN A 68 -7.100 -4.808 11.255 1.00 53.23 H new ATOM 0 HB2 GLN A 68 -5.016 -5.157 10.080 1.00 74.42 H new ATOM 0 HB3 GLN A 68 -4.076 -4.873 11.531 1.00 74.42 H new ATOM 0 HG2 GLN A 68 -5.086 -6.927 12.550 1.00 52.43 H new ATOM 0 HG3 GLN A 68 -5.942 -7.223 11.049 1.00 52.43 H new ATOM 0 HE21 GLN A 68 -5.005 -9.052 10.285 1.00 51.43 H new ATOM 0 HE22 GLN A 68 -3.278 -9.227 9.960 1.00 51.43 H new ATOM 1069 N GLU A 69 -5.531 -4.221 14.086 1.00 62.15 N ATOM 1070 CA GLU A 69 -5.570 -4.466 15.522 1.00 34.54 C ATOM 1071 C GLU A 69 -6.942 -4.121 16.096 1.00 43.12 C ATOM 1072 O GLU A 69 -7.572 -4.942 16.763 1.00 40.52 O ATOM 1073 CB GLU A 69 -4.488 -3.650 16.232 1.00 53.33 C ATOM 1074 CG GLU A 69 -4.580 -3.704 17.747 1.00 30.34 C ATOM 1075 CD GLU A 69 -5.522 -2.659 18.313 1.00 42.01 C ATOM 1076 OE1 GLU A 69 -5.521 -1.520 17.801 1.00 75.12 O ATOM 1077 OE2 GLU A 69 -6.260 -2.981 19.268 1.00 43.32 O ATOM 0 H GLU A 69 -4.852 -3.518 13.796 1.00 62.15 H new ATOM 0 HA GLU A 69 -5.382 -5.527 15.688 1.00 34.54 H new ATOM 0 HB2 GLU A 69 -3.508 -4.015 15.923 1.00 53.33 H new ATOM 0 HB3 GLU A 69 -4.558 -2.611 15.909 1.00 53.33 H new ATOM 0 HG2 GLU A 69 -4.918 -4.695 18.051 1.00 30.34 H new ATOM 0 HG3 GLU A 69 -3.587 -3.561 18.173 1.00 30.34 H new ATOM 1084 N ARG A 70 -7.397 -2.901 15.831 1.00 3.42 N ATOM 1085 CA ARG A 70 -8.692 -2.445 16.322 1.00 62.11 C ATOM 1086 C ARG A 70 -9.824 -3.261 15.706 1.00 73.51 C ATOM 1087 O ARG A 70 -10.680 -3.790 16.417 1.00 44.44 O ATOM 1088 CB ARG A 70 -8.888 -0.961 16.005 1.00 22.34 C ATOM 1089 CG ARG A 70 -9.603 -0.193 17.105 1.00 71.32 C ATOM 1090 CD ARG A 70 -9.669 1.294 16.794 1.00 62.35 C ATOM 1091 NE ARG A 70 -11.045 1.780 16.734 1.00 44.20 N ATOM 1092 CZ ARG A 70 -11.372 3.015 16.369 1.00 74.53 C ATOM 1093 NH1 ARG A 70 -10.429 3.883 16.032 1.00 65.51 N ATOM 1094 NH2 ARG A 70 -12.647 3.383 16.339 1.00 20.44 N ATOM 0 H ARG A 70 -6.888 -2.210 15.279 1.00 3.42 H new ATOM 0 HA ARG A 70 -8.712 -2.584 17.403 1.00 62.11 H new ATOM 0 HB2 ARG A 70 -7.914 -0.504 15.828 1.00 22.34 H new ATOM 0 HB3 ARG A 70 -9.456 -0.868 15.080 1.00 22.34 H new ATOM 0 HG2 ARG A 70 -10.613 -0.585 17.227 1.00 71.32 H new ATOM 0 HG3 ARG A 70 -9.085 -0.345 18.052 1.00 71.32 H new ATOM 0 HD2 ARG A 70 -9.122 1.848 17.556 1.00 62.35 H new ATOM 0 HD3 ARG A 70 -9.174 1.488 15.842 1.00 62.35 H new ATOM 0 HE ARG A 70 -11.795 1.137 16.986 1.00 44.20 H new ATOM 0 HH11 ARG A 70 -9.448 3.604 16.052 1.00 65.51 H new ATOM 0 HH12 ARG A 70 -10.684 4.830 15.752 1.00 65.51 H new ATOM 0 HH21 ARG A 70 -13.376 2.718 16.596 1.00 20.44 H new ATOM 0 HH22 ARG A 70 -12.898 4.331 16.059 1.00 20.44 H new ATOM 1108 N ARG A 71 -9.823 -3.360 14.381 1.00 50.44 N ATOM 1109 CA ARG A 71 -10.851 -4.110 13.669 1.00 1.21 C ATOM 1110 C ARG A 71 -10.937 -5.542 14.189 1.00 1.20 C ATOM 1111 O ARG A 71 -12.028 -6.068 14.407 1.00 65.21 O ATOM 1112 CB ARG A 71 -10.559 -4.118 12.167 1.00 11.24 C ATOM 1113 CG ARG A 71 -10.863 -2.796 11.481 1.00 72.32 C ATOM 1114 CD ARG A 71 -12.342 -2.452 11.565 1.00 30.03 C ATOM 1115 NE ARG A 71 -12.849 -1.903 10.310 1.00 22.05 N ATOM 1116 CZ ARG A 71 -14.133 -1.647 10.086 1.00 62.34 C ATOM 1117 NH1 ARG A 71 -15.035 -1.889 11.026 1.00 30.45 N ATOM 1118 NH2 ARG A 71 -14.516 -1.148 8.918 1.00 54.13 N ATOM 0 H ARG A 71 -9.121 -2.930 13.778 1.00 50.44 H new ATOM 0 HA ARG A 71 -11.809 -3.620 13.843 1.00 1.21 H new ATOM 0 HB2 ARG A 71 -9.509 -4.366 12.011 1.00 11.24 H new ATOM 0 HB3 ARG A 71 -11.146 -4.906 11.695 1.00 11.24 H new ATOM 0 HG2 ARG A 71 -10.277 -2.002 11.943 1.00 72.32 H new ATOM 0 HG3 ARG A 71 -10.559 -2.849 10.435 1.00 72.32 H new ATOM 0 HD2 ARG A 71 -12.908 -3.347 11.824 1.00 30.03 H new ATOM 0 HD3 ARG A 71 -12.501 -1.731 12.367 1.00 30.03 H new ATOM 0 HE ARG A 71 -12.181 -1.705 9.565 1.00 22.05 H new ATOM 0 HH11 ARG A 71 -14.744 -2.273 11.925 1.00 30.45 H new ATOM 0 HH12 ARG A 71 -16.020 -1.691 10.851 1.00 30.45 H new ATOM 0 HH21 ARG A 71 -13.824 -0.961 8.192 1.00 54.13 H new ATOM 0 HH22 ARG A 71 -15.502 -0.951 8.746 1.00 54.13 H new ATOM 1132 N GLU A 72 -9.779 -6.165 14.385 1.00 73.42 N ATOM 1133 CA GLU A 72 -9.725 -7.537 14.878 1.00 41.33 C ATOM 1134 C GLU A 72 -10.435 -7.660 16.223 1.00 42.21 C ATOM 1135 O GLU A 72 -11.258 -8.553 16.424 1.00 14.41 O ATOM 1136 CB GLU A 72 -8.272 -7.997 15.011 1.00 3.25 C ATOM 1137 CG GLU A 72 -8.127 -9.394 15.590 1.00 24.23 C ATOM 1138 CD GLU A 72 -6.684 -9.757 15.885 1.00 10.52 C ATOM 1139 OE1 GLU A 72 -6.117 -9.196 16.847 1.00 61.24 O ATOM 1140 OE2 GLU A 72 -6.122 -10.600 15.155 1.00 13.52 O ATOM 0 H GLU A 72 -8.867 -5.743 14.210 1.00 73.42 H new ATOM 0 HA GLU A 72 -10.236 -8.176 14.158 1.00 41.33 H new ATOM 0 HB2 GLU A 72 -7.799 -7.969 14.029 1.00 3.25 H new ATOM 0 HB3 GLU A 72 -7.733 -7.292 15.644 1.00 3.25 H new ATOM 0 HG2 GLU A 72 -8.710 -9.465 16.508 1.00 24.23 H new ATOM 0 HG3 GLU A 72 -8.544 -10.118 14.890 1.00 24.23 H new ATOM 1147 N LYS A 73 -10.109 -6.757 17.142 1.00 71.12 N ATOM 1148 CA LYS A 73 -10.714 -6.762 18.468 1.00 34.13 C ATOM 1149 C LYS A 73 -12.235 -6.699 18.373 1.00 54.05 C ATOM 1150 O LYS A 73 -12.943 -7.362 19.131 1.00 72.21 O ATOM 1151 CB LYS A 73 -10.195 -5.582 19.293 1.00 72.02 C ATOM 1152 CG LYS A 73 -8.829 -5.826 19.911 1.00 54.11 C ATOM 1153 CD LYS A 73 -8.894 -5.816 21.429 1.00 75.31 C ATOM 1154 CE LYS A 73 -7.613 -5.268 22.038 1.00 14.43 C ATOM 1155 NZ LYS A 73 -7.890 -4.355 23.182 1.00 42.20 N ATOM 0 H LYS A 73 -9.429 -6.012 16.992 1.00 71.12 H new ATOM 0 HA LYS A 73 -10.437 -7.693 18.962 1.00 34.13 H new ATOM 0 HB2 LYS A 73 -10.144 -4.699 18.656 1.00 72.02 H new ATOM 0 HB3 LYS A 73 -10.909 -5.362 20.086 1.00 72.02 H new ATOM 0 HG2 LYS A 73 -8.440 -6.785 19.569 1.00 54.11 H new ATOM 0 HG3 LYS A 73 -8.133 -5.060 19.571 1.00 54.11 H new ATOM 0 HD2 LYS A 73 -9.740 -5.211 21.754 1.00 75.31 H new ATOM 0 HD3 LYS A 73 -9.067 -6.829 21.793 1.00 75.31 H new ATOM 0 HE2 LYS A 73 -6.989 -6.095 22.376 1.00 14.43 H new ATOM 0 HE3 LYS A 73 -7.048 -4.733 21.275 1.00 14.43 H new ATOM 0 HZ1 LYS A 73 -6.992 -4.002 23.570 1.00 42.20 H new ATOM 0 HZ2 LYS A 73 -8.465 -3.552 22.854 1.00 42.20 H new ATOM 0 HZ3 LYS A 73 -8.407 -4.872 23.921 1.00 42.20 H new ATOM 1169 N PHE A 74 -12.732 -5.899 17.435 1.00 0.41 N ATOM 1170 CA PHE A 74 -14.169 -5.750 17.240 1.00 14.40 C ATOM 1171 C PHE A 74 -14.758 -6.987 16.569 1.00 52.25 C ATOM 1172 O PHE A 74 -15.938 -7.293 16.733 1.00 73.34 O ATOM 1173 CB PHE A 74 -14.465 -4.508 16.396 1.00 20.01 C ATOM 1174 CG PHE A 74 -15.889 -4.041 16.495 1.00 71.11 C ATOM 1175 CD1 PHE A 74 -16.338 -3.380 17.626 1.00 13.35 C ATOM 1176 CD2 PHE A 74 -16.779 -4.264 15.456 1.00 21.24 C ATOM 1177 CE1 PHE A 74 -17.648 -2.948 17.721 1.00 72.44 C ATOM 1178 CE2 PHE A 74 -18.090 -3.835 15.545 1.00 44.14 C ATOM 1179 CZ PHE A 74 -18.525 -3.177 16.679 1.00 71.35 C ATOM 0 H PHE A 74 -12.160 -5.344 16.798 1.00 0.41 H new ATOM 0 HA PHE A 74 -14.633 -5.634 18.219 1.00 14.40 H new ATOM 0 HB2 PHE A 74 -13.804 -3.700 16.709 1.00 20.01 H new ATOM 0 HB3 PHE A 74 -14.234 -4.724 15.353 1.00 20.01 H new ATOM 0 HD1 PHE A 74 -15.656 -3.200 18.444 1.00 13.35 H new ATOM 0 HD2 PHE A 74 -16.445 -4.779 14.567 1.00 21.24 H new ATOM 0 HE1 PHE A 74 -17.985 -2.433 18.608 1.00 72.44 H new ATOM 0 HE2 PHE A 74 -18.774 -4.014 14.728 1.00 44.14 H new ATOM 0 HZ PHE A 74 -19.549 -2.842 16.751 1.00 71.35 H new ATOM 1189 N GLY A 75 -13.926 -7.694 15.810 1.00 21.23 N ATOM 1190 CA GLY A 75 -14.381 -8.889 15.124 1.00 33.34 C ATOM 1191 C GLY A 75 -13.758 -9.043 13.751 1.00 4.05 C ATOM 1192 O GLY A 75 -13.125 -8.118 13.242 1.00 0.25 O ATOM 0 H GLY A 75 -12.945 -7.460 15.658 1.00 21.23 H new ATOM 0 HA2 GLY A 75 -14.142 -9.764 15.728 1.00 33.34 H new ATOM 0 HA3 GLY A 75 -15.466 -8.857 15.026 1.00 33.34 H new ATOM 1196 N SER A 76 -13.934 -10.215 13.151 1.00 74.43 N ATOM 1197 CA SER A 76 -13.379 -10.489 11.830 1.00 33.34 C ATOM 1198 C SER A 76 -14.455 -10.377 10.755 1.00 73.03 C ATOM 1199 O SER A 76 -15.617 -10.711 10.986 1.00 32.31 O ATOM 1200 CB SER A 76 -12.752 -11.884 11.797 1.00 72.31 C ATOM 1201 OG SER A 76 -13.714 -12.883 12.090 1.00 1.00 O ATOM 0 H SER A 76 -14.457 -10.991 13.558 1.00 74.43 H new ATOM 0 HA SER A 76 -12.608 -9.747 11.626 1.00 33.34 H new ATOM 0 HB2 SER A 76 -12.320 -12.069 10.814 1.00 72.31 H new ATOM 0 HB3 SER A 76 -11.937 -11.937 12.519 1.00 72.31 H new ATOM 0 HG SER A 76 -13.289 -13.765 12.061 1.00 1.00 H new ATOM 1207 N SER A 77 -14.059 -9.904 9.577 1.00 12.25 N ATOM 1208 CA SER A 77 -14.989 -9.743 8.466 1.00 73.10 C ATOM 1209 C SER A 77 -14.247 -9.734 7.133 1.00 21.42 C ATOM 1210 O SER A 77 -13.135 -9.215 7.031 1.00 13.33 O ATOM 1211 CB SER A 77 -15.789 -8.449 8.626 1.00 51.23 C ATOM 1212 OG SER A 77 -15.203 -7.392 7.885 1.00 22.33 O ATOM 0 H SER A 77 -13.100 -9.626 9.368 1.00 12.25 H new ATOM 0 HA SER A 77 -15.676 -10.590 8.474 1.00 73.10 H new ATOM 0 HB2 SER A 77 -16.814 -8.608 8.291 1.00 51.23 H new ATOM 0 HB3 SER A 77 -15.837 -8.175 9.680 1.00 51.23 H new ATOM 0 HG SER A 77 -15.734 -6.577 8.003 1.00 22.33 H new ATOM 1218 N LYS A 78 -14.870 -10.314 6.113 1.00 44.05 N ATOM 1219 CA LYS A 78 -14.271 -10.373 4.784 1.00 21.33 C ATOM 1220 C LYS A 78 -13.828 -8.988 4.325 1.00 64.00 C ATOM 1221 O LYS A 78 -12.818 -8.847 3.637 1.00 45.14 O ATOM 1222 CB LYS A 78 -15.265 -10.961 3.780 1.00 21.42 C ATOM 1223 CG LYS A 78 -15.198 -12.475 3.674 1.00 35.10 C ATOM 1224 CD LYS A 78 -13.993 -12.925 2.865 1.00 35.01 C ATOM 1225 CE LYS A 78 -14.197 -14.318 2.289 1.00 55.22 C ATOM 1226 NZ LYS A 78 -13.448 -15.351 3.056 1.00 13.24 N ATOM 0 H LYS A 78 -15.790 -10.750 6.181 1.00 44.05 H new ATOM 0 HA LYS A 78 -13.393 -11.017 4.837 1.00 21.33 H new ATOM 0 HB2 LYS A 78 -16.275 -10.670 4.068 1.00 21.42 H new ATOM 0 HB3 LYS A 78 -15.076 -10.528 2.798 1.00 21.42 H new ATOM 0 HG2 LYS A 78 -15.149 -12.909 4.673 1.00 35.10 H new ATOM 0 HG3 LYS A 78 -16.110 -12.849 3.208 1.00 35.10 H new ATOM 0 HD2 LYS A 78 -13.813 -12.218 2.055 1.00 35.01 H new ATOM 0 HD3 LYS A 78 -13.105 -12.918 3.498 1.00 35.01 H new ATOM 0 HE2 LYS A 78 -15.260 -14.561 2.295 1.00 55.22 H new ATOM 0 HE3 LYS A 78 -13.872 -14.332 1.249 1.00 55.22 H new ATOM 0 HZ1 LYS A 78 -13.613 -16.286 2.632 1.00 13.24 H new ATOM 0 HZ2 LYS A 78 -12.431 -15.134 3.030 1.00 13.24 H new ATOM 0 HZ3 LYS A 78 -13.776 -15.356 4.043 1.00 13.24 H new ATOM 1240 N GLU A 79 -14.589 -7.969 4.712 1.00 61.31 N ATOM 1241 CA GLU A 79 -14.273 -6.595 4.339 1.00 24.44 C ATOM 1242 C GLU A 79 -12.937 -6.163 4.938 1.00 61.34 C ATOM 1243 O GLU A 79 -12.095 -5.585 4.250 1.00 51.21 O ATOM 1244 CB GLU A 79 -15.382 -5.649 4.804 1.00 61.32 C ATOM 1245 CG GLU A 79 -16.485 -5.454 3.777 1.00 22.21 C ATOM 1246 CD GLU A 79 -17.418 -6.646 3.690 1.00 72.01 C ATOM 1247 OE1 GLU A 79 -17.139 -7.562 2.888 1.00 2.25 O ATOM 1248 OE2 GLU A 79 -18.428 -6.663 4.424 1.00 15.51 O ATOM 0 H GLU A 79 -15.428 -8.069 5.283 1.00 61.31 H new ATOM 0 HA GLU A 79 -14.197 -6.548 3.253 1.00 24.44 H new ATOM 0 HB2 GLU A 79 -15.818 -6.038 5.724 1.00 61.32 H new ATOM 0 HB3 GLU A 79 -14.945 -4.680 5.044 1.00 61.32 H new ATOM 0 HG2 GLU A 79 -17.061 -4.564 4.032 1.00 22.21 H new ATOM 0 HG3 GLU A 79 -16.038 -5.275 2.799 1.00 22.21 H new ATOM 1255 N ILE A 80 -12.751 -6.448 6.222 1.00 10.21 N ATOM 1256 CA ILE A 80 -11.519 -6.089 6.913 1.00 65.42 C ATOM 1257 C ILE A 80 -10.352 -6.947 6.436 1.00 65.15 C ATOM 1258 O ILE A 80 -9.318 -6.428 6.014 1.00 51.15 O ATOM 1259 CB ILE A 80 -11.663 -6.243 8.438 1.00 12.55 C ATOM 1260 CG1 ILE A 80 -12.807 -5.367 8.955 1.00 70.14 C ATOM 1261 CG2 ILE A 80 -10.358 -5.882 9.133 1.00 74.40 C ATOM 1262 CD1 ILE A 80 -13.300 -5.765 10.328 1.00 74.41 C ATOM 0 H ILE A 80 -13.438 -6.926 6.805 1.00 10.21 H new ATOM 0 HA ILE A 80 -11.319 -5.043 6.679 1.00 65.42 H new ATOM 0 HB ILE A 80 -11.896 -7.284 8.663 1.00 12.55 H new ATOM 0 HG12 ILE A 80 -12.475 -4.329 8.984 1.00 70.14 H new ATOM 0 HG13 ILE A 80 -13.638 -5.416 8.251 1.00 70.14 H new ATOM 0 HG21 ILE A 80 -10.476 -5.996 10.211 1.00 74.40 H new ATOM 0 HG22 ILE A 80 -9.565 -6.542 8.783 1.00 74.40 H new ATOM 0 HG23 ILE A 80 -10.097 -4.849 8.904 1.00 74.40 H new ATOM 0 HD11 ILE A 80 -14.110 -5.101 10.630 1.00 74.41 H new ATOM 0 HD12 ILE A 80 -13.663 -6.792 10.300 1.00 74.41 H new ATOM 0 HD13 ILE A 80 -12.482 -5.689 11.045 1.00 74.41 H new ATOM 1274 N ASP A 81 -10.525 -8.262 6.504 1.00 64.44 N ATOM 1275 CA ASP A 81 -9.487 -9.193 6.076 1.00 61.34 C ATOM 1276 C ASP A 81 -9.017 -8.870 4.661 1.00 63.01 C ATOM 1277 O ASP A 81 -7.826 -8.949 4.359 1.00 74.12 O ATOM 1278 CB ASP A 81 -10.004 -10.631 6.138 1.00 35.22 C ATOM 1279 CG ASP A 81 -8.914 -11.624 6.489 1.00 31.25 C ATOM 1280 OD1 ASP A 81 -7.726 -11.302 6.275 1.00 74.41 O ATOM 1281 OD2 ASP A 81 -9.248 -12.723 6.980 1.00 53.22 O ATOM 0 H ASP A 81 -11.374 -8.708 6.851 1.00 64.44 H new ATOM 0 HA ASP A 81 -8.640 -9.090 6.754 1.00 61.34 H new ATOM 0 HB2 ASP A 81 -10.802 -10.695 6.878 1.00 35.22 H new ATOM 0 HB3 ASP A 81 -10.439 -10.899 5.175 1.00 35.22 H new ATOM 1286 N MET A 82 -9.960 -8.507 3.798 1.00 42.31 N ATOM 1287 CA MET A 82 -9.641 -8.171 2.415 1.00 74.42 C ATOM 1288 C MET A 82 -8.846 -6.872 2.340 1.00 64.23 C ATOM 1289 O MET A 82 -7.892 -6.761 1.570 1.00 60.31 O ATOM 1290 CB MET A 82 -10.924 -8.046 1.590 1.00 64.13 C ATOM 1291 CG MET A 82 -10.673 -7.771 0.116 1.00 74.52 C ATOM 1292 SD MET A 82 -11.869 -6.621 -0.589 1.00 52.41 S ATOM 1293 CE MET A 82 -13.369 -7.595 -0.501 1.00 74.15 C ATOM 0 H MET A 82 -10.951 -8.438 4.031 1.00 42.31 H new ATOM 0 HA MET A 82 -9.029 -8.974 2.004 1.00 74.42 H new ATOM 0 HB2 MET A 82 -11.500 -8.966 1.687 1.00 64.13 H new ATOM 0 HB3 MET A 82 -11.535 -7.243 2.002 1.00 64.13 H new ATOM 0 HG2 MET A 82 -9.669 -7.366 -0.008 1.00 74.52 H new ATOM 0 HG3 MET A 82 -10.709 -8.710 -0.436 1.00 74.52 H new ATOM 0 HE1 MET A 82 -14.198 -7.024 -0.918 1.00 74.15 H new ATOM 0 HE2 MET A 82 -13.239 -8.515 -1.070 1.00 74.15 H new ATOM 0 HE3 MET A 82 -13.584 -7.839 0.539 1.00 74.15 H new ATOM 1303 N ALA A 83 -9.244 -5.892 3.144 1.00 72.02 N ATOM 1304 CA ALA A 83 -8.567 -4.602 3.169 1.00 1.42 C ATOM 1305 C ALA A 83 -7.076 -4.769 3.442 1.00 61.54 C ATOM 1306 O ALA A 83 -6.242 -4.137 2.793 1.00 61.11 O ATOM 1307 CB ALA A 83 -9.198 -3.695 4.215 1.00 2.24 C ATOM 0 H ALA A 83 -10.032 -5.967 3.787 1.00 72.02 H new ATOM 0 HA ALA A 83 -8.681 -4.141 2.188 1.00 1.42 H new ATOM 0 HB1 ALA A 83 -8.682 -2.735 4.223 1.00 2.24 H new ATOM 0 HB2 ALA A 83 -10.250 -3.540 3.975 1.00 2.24 H new ATOM 0 HB3 ALA A 83 -9.114 -4.160 5.197 1.00 2.24 H new ATOM 1313 N ILE A 84 -6.748 -5.624 4.405 1.00 62.03 N ATOM 1314 CA ILE A 84 -5.357 -5.874 4.762 1.00 60.41 C ATOM 1315 C ILE A 84 -4.624 -6.603 3.641 1.00 71.23 C ATOM 1316 O ILE A 84 -3.505 -6.240 3.277 1.00 33.31 O ATOM 1317 CB ILE A 84 -5.248 -6.704 6.055 1.00 14.10 C ATOM 1318 CG1 ILE A 84 -6.098 -6.076 7.162 1.00 20.41 C ATOM 1319 CG2 ILE A 84 -3.796 -6.814 6.493 1.00 63.50 C ATOM 1320 CD1 ILE A 84 -6.133 -6.895 8.434 1.00 54.22 C ATOM 0 H ILE A 84 -7.426 -6.155 4.952 1.00 62.03 H new ATOM 0 HA ILE A 84 -4.893 -4.901 4.924 1.00 60.41 H new ATOM 0 HB ILE A 84 -5.624 -7.708 5.858 1.00 14.10 H new ATOM 0 HG12 ILE A 84 -5.709 -5.083 7.389 1.00 20.41 H new ATOM 0 HG13 ILE A 84 -7.116 -5.943 6.796 1.00 20.41 H new ATOM 0 HG21 ILE A 84 -3.736 -7.403 7.408 1.00 63.50 H new ATOM 0 HG22 ILE A 84 -3.215 -7.300 5.709 1.00 63.50 H new ATOM 0 HG23 ILE A 84 -3.395 -5.817 6.676 1.00 63.50 H new ATOM 0 HD11 ILE A 84 -6.753 -6.390 9.175 1.00 54.22 H new ATOM 0 HD12 ILE A 84 -6.550 -7.879 8.222 1.00 54.22 H new ATOM 0 HD13 ILE A 84 -5.121 -7.006 8.823 1.00 54.22 H new ATOM 1332 N VAL A 85 -5.263 -7.633 3.095 1.00 53.13 N ATOM 1333 CA VAL A 85 -4.674 -8.412 2.012 1.00 1.32 C ATOM 1334 C VAL A 85 -4.309 -7.521 0.830 1.00 4.11 C ATOM 1335 O VAL A 85 -3.213 -7.622 0.277 1.00 2.30 O ATOM 1336 CB VAL A 85 -5.631 -9.518 1.531 1.00 55.24 C ATOM 1337 CG1 VAL A 85 -5.012 -10.298 0.381 1.00 4.13 C ATOM 1338 CG2 VAL A 85 -5.995 -10.445 2.681 1.00 62.25 C ATOM 0 H VAL A 85 -6.189 -7.947 3.385 1.00 53.13 H new ATOM 0 HA VAL A 85 -3.769 -8.873 2.409 1.00 1.32 H new ATOM 0 HB VAL A 85 -6.546 -9.050 1.169 1.00 55.24 H new ATOM 0 HG11 VAL A 85 -5.703 -11.075 0.055 1.00 4.13 H new ATOM 0 HG12 VAL A 85 -4.808 -9.622 -0.449 1.00 4.13 H new ATOM 0 HG13 VAL A 85 -4.080 -10.757 0.712 1.00 4.13 H new ATOM 0 HG21 VAL A 85 -6.672 -11.221 2.323 1.00 62.25 H new ATOM 0 HG22 VAL A 85 -5.090 -10.907 3.076 1.00 62.25 H new ATOM 0 HG23 VAL A 85 -6.484 -9.872 3.469 1.00 62.25 H new ATOM 1348 N THR A 86 -5.234 -6.647 0.446 1.00 0.24 N ATOM 1349 CA THR A 86 -5.010 -5.738 -0.671 1.00 13.14 C ATOM 1350 C THR A 86 -3.832 -4.810 -0.397 1.00 52.00 C ATOM 1351 O THR A 86 -2.959 -4.631 -1.247 1.00 71.13 O ATOM 1352 CB THR A 86 -6.261 -4.888 -0.963 1.00 34.14 C ATOM 1353 OG1 THR A 86 -6.698 -4.232 0.233 1.00 20.00 O ATOM 1354 CG2 THR A 86 -7.386 -5.752 -1.513 1.00 32.15 C ATOM 0 H THR A 86 -6.146 -6.550 0.893 1.00 0.24 H new ATOM 0 HA THR A 86 -4.788 -6.356 -1.541 1.00 13.14 H new ATOM 0 HB THR A 86 -5.999 -4.141 -1.712 1.00 34.14 H new ATOM 0 HG1 THR A 86 -6.286 -4.662 1.011 1.00 20.00 H new ATOM 0 HG21 THR A 86 -8.259 -5.130 -1.712 1.00 32.15 H new ATOM 0 HG22 THR A 86 -7.061 -6.227 -2.439 1.00 32.15 H new ATOM 0 HG23 THR A 86 -7.646 -6.519 -0.783 1.00 32.15 H new ATOM 1362 N LEU A 87 -3.813 -4.222 0.794 1.00 65.00 N ATOM 1363 CA LEU A 87 -2.740 -3.312 1.180 1.00 22.04 C ATOM 1364 C LEU A 87 -1.383 -4.005 1.101 1.00 51.54 C ATOM 1365 O LEU A 87 -0.365 -3.370 0.826 1.00 43.43 O ATOM 1366 CB LEU A 87 -2.975 -2.788 2.598 1.00 0.30 C ATOM 1367 CG LEU A 87 -3.847 -1.537 2.715 1.00 3.10 C ATOM 1368 CD1 LEU A 87 -4.057 -1.167 4.175 1.00 31.52 C ATOM 1369 CD2 LEU A 87 -3.220 -0.377 1.954 1.00 34.25 C ATOM 0 H LEU A 87 -4.528 -4.359 1.509 1.00 65.00 H new ATOM 0 HA LEU A 87 -2.740 -2.473 0.484 1.00 22.04 H new ATOM 0 HB2 LEU A 87 -3.434 -3.583 3.186 1.00 0.30 H new ATOM 0 HB3 LEU A 87 -2.006 -2.575 3.050 1.00 0.30 H new ATOM 0 HG LEU A 87 -4.820 -1.753 2.273 1.00 3.10 H new ATOM 0 HD11 LEU A 87 -4.680 -0.275 4.238 1.00 31.52 H new ATOM 0 HD12 LEU A 87 -4.550 -1.991 4.692 1.00 31.52 H new ATOM 0 HD13 LEU A 87 -3.092 -0.970 4.643 1.00 31.52 H new ATOM 0 HD21 LEU A 87 -3.854 0.505 2.048 1.00 34.25 H new ATOM 0 HD22 LEU A 87 -2.235 -0.161 2.367 1.00 34.25 H new ATOM 0 HD23 LEU A 87 -3.122 -0.643 0.901 1.00 34.25 H new ATOM 1381 N LYS A 88 -1.377 -5.311 1.341 1.00 63.30 N ATOM 1382 CA LYS A 88 -0.146 -6.092 1.293 1.00 34.52 C ATOM 1383 C LYS A 88 0.334 -6.263 -0.144 1.00 62.33 C ATOM 1384 O LYS A 88 1.409 -5.788 -0.511 1.00 0.23 O ATOM 1385 CB LYS A 88 -0.364 -7.464 1.936 1.00 62.21 C ATOM 1386 CG LYS A 88 -0.696 -7.396 3.416 1.00 35.54 C ATOM 1387 CD LYS A 88 0.547 -7.556 4.275 1.00 32.42 C ATOM 1388 CE LYS A 88 0.376 -6.892 5.633 1.00 74.41 C ATOM 1389 NZ LYS A 88 -0.442 -7.725 6.558 1.00 0.22 N ATOM 0 H LYS A 88 -2.211 -5.852 1.571 1.00 63.30 H new ATOM 0 HA LYS A 88 0.619 -5.553 1.851 1.00 34.52 H new ATOM 0 HB2 LYS A 88 -1.172 -7.976 1.414 1.00 62.21 H new ATOM 0 HB3 LYS A 88 0.535 -8.066 1.801 1.00 62.21 H new ATOM 0 HG2 LYS A 88 -1.173 -6.442 3.639 1.00 35.54 H new ATOM 0 HG3 LYS A 88 -1.414 -8.177 3.665 1.00 35.54 H new ATOM 0 HD2 LYS A 88 0.762 -8.616 4.412 1.00 32.42 H new ATOM 0 HD3 LYS A 88 1.404 -7.120 3.761 1.00 32.42 H new ATOM 0 HE2 LYS A 88 1.356 -6.713 6.076 1.00 74.41 H new ATOM 0 HE3 LYS A 88 -0.098 -5.919 5.505 1.00 74.41 H new ATOM 0 HZ1 LYS A 88 -0.792 -7.135 7.339 1.00 0.22 H new ATOM 0 HZ2 LYS A 88 -1.249 -8.128 6.040 1.00 0.22 H new ATOM 0 HZ3 LYS A 88 0.143 -8.495 6.941 1.00 0.22 H new ATOM 1403 N VAL A 89 -0.470 -6.944 -0.955 1.00 45.24 N ATOM 1404 CA VAL A 89 -0.127 -7.175 -2.354 1.00 12.23 C ATOM 1405 C VAL A 89 0.238 -5.870 -3.053 1.00 22.32 C ATOM 1406 O VAL A 89 1.185 -5.818 -3.838 1.00 73.35 O ATOM 1407 CB VAL A 89 -1.289 -7.843 -3.113 1.00 23.52 C ATOM 1408 CG1 VAL A 89 -1.460 -9.287 -2.664 1.00 4.31 C ATOM 1409 CG2 VAL A 89 -2.576 -7.059 -2.914 1.00 15.41 C ATOM 0 H VAL A 89 -1.363 -7.345 -0.668 1.00 45.24 H new ATOM 0 HA VAL A 89 0.735 -7.842 -2.363 1.00 12.23 H new ATOM 0 HB VAL A 89 -1.052 -7.844 -4.177 1.00 23.52 H new ATOM 0 HG11 VAL A 89 -2.285 -9.743 -3.211 1.00 4.31 H new ATOM 0 HG12 VAL A 89 -0.543 -9.841 -2.863 1.00 4.31 H new ATOM 0 HG13 VAL A 89 -1.675 -9.313 -1.596 1.00 4.31 H new ATOM 0 HG21 VAL A 89 -3.386 -7.545 -3.457 1.00 15.41 H new ATOM 0 HG22 VAL A 89 -2.821 -7.024 -1.852 1.00 15.41 H new ATOM 0 HG23 VAL A 89 -2.446 -6.044 -3.289 1.00 15.41 H new ATOM 1419 N PHE A 90 -0.518 -4.817 -2.761 1.00 72.24 N ATOM 1420 CA PHE A 90 -0.275 -3.511 -3.362 1.00 64.15 C ATOM 1421 C PHE A 90 1.011 -2.894 -2.820 1.00 63.22 C ATOM 1422 O PHE A 90 1.715 -2.176 -3.530 1.00 10.04 O ATOM 1423 CB PHE A 90 -1.455 -2.575 -3.095 1.00 50.02 C ATOM 1424 CG PHE A 90 -1.186 -1.147 -3.475 1.00 64.01 C ATOM 1425 CD1 PHE A 90 -0.638 -0.836 -4.709 1.00 65.10 C ATOM 1426 CD2 PHE A 90 -1.480 -0.116 -2.598 1.00 1.41 C ATOM 1427 CE1 PHE A 90 -0.389 0.477 -5.062 1.00 64.10 C ATOM 1428 CE2 PHE A 90 -1.234 1.199 -2.945 1.00 44.25 C ATOM 1429 CZ PHE A 90 -0.686 1.496 -4.178 1.00 72.24 C ATOM 0 H PHE A 90 -1.304 -4.843 -2.112 1.00 72.24 H new ATOM 0 HA PHE A 90 -0.166 -3.649 -4.438 1.00 64.15 H new ATOM 0 HB2 PHE A 90 -2.324 -2.932 -3.648 1.00 50.02 H new ATOM 0 HB3 PHE A 90 -1.711 -2.619 -2.036 1.00 50.02 H new ATOM 0 HD1 PHE A 90 -0.403 -1.629 -5.403 1.00 65.10 H new ATOM 0 HD2 PHE A 90 -1.906 -0.342 -1.632 1.00 1.41 H new ATOM 0 HE1 PHE A 90 0.037 0.706 -6.028 1.00 64.10 H new ATOM 0 HE2 PHE A 90 -1.470 1.994 -2.253 1.00 44.25 H new ATOM 0 HZ PHE A 90 -0.490 2.523 -4.450 1.00 72.24 H new ATOM 1439 N ALA A 91 1.311 -3.180 -1.557 1.00 53.22 N ATOM 1440 CA ALA A 91 2.512 -2.655 -0.919 1.00 53.04 C ATOM 1441 C ALA A 91 3.770 -3.184 -1.599 1.00 21.42 C ATOM 1442 O ALA A 91 4.629 -2.412 -2.025 1.00 62.50 O ATOM 1443 CB ALA A 91 2.520 -3.008 0.561 1.00 44.34 C ATOM 0 H ALA A 91 0.739 -3.772 -0.956 1.00 53.22 H new ATOM 0 HA ALA A 91 2.505 -1.570 -1.022 1.00 53.04 H new ATOM 0 HB1 ALA A 91 3.422 -2.610 1.025 1.00 44.34 H new ATOM 0 HB2 ALA A 91 1.643 -2.576 1.043 1.00 44.34 H new ATOM 0 HB3 ALA A 91 2.500 -4.092 0.677 1.00 44.34 H new ATOM 1449 N VAL A 92 3.873 -4.506 -1.696 1.00 22.11 N ATOM 1450 CA VAL A 92 5.027 -5.139 -2.324 1.00 11.20 C ATOM 1451 C VAL A 92 5.027 -4.909 -3.831 1.00 42.40 C ATOM 1452 O VAL A 92 6.009 -4.427 -4.395 1.00 70.14 O ATOM 1453 CB VAL A 92 5.056 -6.654 -2.047 1.00 41.31 C ATOM 1454 CG1 VAL A 92 6.361 -7.262 -2.539 1.00 53.43 C ATOM 1455 CG2 VAL A 92 4.857 -6.928 -0.564 1.00 53.21 C ATOM 0 H VAL A 92 3.171 -5.159 -1.348 1.00 22.11 H new ATOM 0 HA VAL A 92 5.915 -4.681 -1.889 1.00 11.20 H new ATOM 0 HB VAL A 92 4.236 -7.121 -2.593 1.00 41.31 H new ATOM 0 HG11 VAL A 92 6.363 -8.333 -2.335 1.00 53.43 H new ATOM 0 HG12 VAL A 92 6.457 -7.097 -3.612 1.00 53.43 H new ATOM 0 HG13 VAL A 92 7.198 -6.792 -2.023 1.00 53.43 H new ATOM 0 HG21 VAL A 92 4.880 -8.003 -0.386 1.00 53.21 H new ATOM 0 HG22 VAL A 92 5.654 -6.449 0.005 1.00 53.21 H new ATOM 0 HG23 VAL A 92 3.894 -6.529 -0.246 1.00 53.21 H new ATOM 1465 N ALA A 93 3.919 -5.256 -4.477 1.00 40.33 N ATOM 1466 CA ALA A 93 3.790 -5.085 -5.919 1.00 41.41 C ATOM 1467 C ALA A 93 3.865 -3.612 -6.306 1.00 4.50 C ATOM 1468 O ALA A 93 4.059 -3.275 -7.474 1.00 31.45 O ATOM 1469 CB ALA A 93 2.485 -5.695 -6.408 1.00 50.24 C ATOM 0 H ALA A 93 3.098 -5.657 -4.025 1.00 40.33 H new ATOM 0 HA ALA A 93 4.622 -5.602 -6.397 1.00 41.41 H new ATOM 0 HB1 ALA A 93 2.402 -5.560 -7.486 1.00 50.24 H new ATOM 0 HB2 ALA A 93 2.470 -6.759 -6.173 1.00 50.24 H new ATOM 0 HB3 ALA A 93 1.646 -5.203 -5.915 1.00 50.24 H new ATOM 1475 N GLY A 94 3.710 -2.736 -5.317 1.00 44.14 N ATOM 1476 CA GLY A 94 3.763 -1.309 -5.575 1.00 43.24 C ATOM 1477 C GLY A 94 5.105 -0.704 -5.215 1.00 5.33 C ATOM 1478 O GLY A 94 5.893 -0.352 -6.094 1.00 61.21 O ATOM 0 H GLY A 94 3.549 -2.990 -4.342 1.00 44.14 H new ATOM 0 HA2 GLY A 94 3.557 -1.126 -6.629 1.00 43.24 H new ATOM 0 HA3 GLY A 94 2.979 -0.811 -5.005 1.00 43.24 H new ATOM 1482 N LEU A 95 5.367 -0.580 -3.918 1.00 44.13 N ATOM 1483 CA LEU A 95 6.624 -0.011 -3.442 1.00 73.14 C ATOM 1484 C LEU A 95 7.814 -0.819 -3.950 1.00 51.41 C ATOM 1485 O LEU A 95 8.819 -0.256 -4.387 1.00 11.13 O ATOM 1486 CB LEU A 95 6.639 0.035 -1.914 1.00 32.25 C ATOM 1487 CG LEU A 95 5.805 1.142 -1.267 1.00 25.21 C ATOM 1488 CD1 LEU A 95 6.208 2.502 -1.815 1.00 11.21 C ATOM 1489 CD2 LEU A 95 4.321 0.892 -1.491 1.00 42.24 C ATOM 0 H LEU A 95 4.726 -0.866 -3.178 1.00 44.13 H new ATOM 0 HA LEU A 95 6.705 1.004 -3.830 1.00 73.14 H new ATOM 0 HB2 LEU A 95 6.286 -0.925 -1.538 1.00 32.25 H new ATOM 0 HB3 LEU A 95 7.672 0.146 -1.584 1.00 32.25 H new ATOM 0 HG LEU A 95 5.995 1.135 -0.194 1.00 25.21 H new ATOM 0 HD11 LEU A 95 5.604 3.278 -1.344 1.00 11.21 H new ATOM 0 HD12 LEU A 95 7.262 2.682 -1.602 1.00 11.21 H new ATOM 0 HD13 LEU A 95 6.047 2.522 -2.893 1.00 11.21 H new ATOM 0 HD21 LEU A 95 3.743 1.689 -1.024 1.00 42.24 H new ATOM 0 HD22 LEU A 95 4.113 0.872 -2.561 1.00 42.24 H new ATOM 0 HD23 LEU A 95 4.042 -0.065 -1.049 1.00 42.24 H new ATOM 1501 N LEU A 96 7.693 -2.140 -3.892 1.00 64.31 N ATOM 1502 CA LEU A 96 8.759 -3.027 -4.348 1.00 54.53 C ATOM 1503 C LEU A 96 8.607 -3.341 -5.833 1.00 74.20 C ATOM 1504 O LEU A 96 9.467 -3.984 -6.432 1.00 61.34 O ATOM 1505 CB LEU A 96 8.752 -4.323 -3.537 1.00 63.42 C ATOM 1506 CG LEU A 96 10.085 -4.726 -2.905 1.00 30.02 C ATOM 1507 CD1 LEU A 96 11.138 -4.954 -3.978 1.00 72.42 C ATOM 1508 CD2 LEU A 96 10.549 -3.665 -1.917 1.00 72.23 C ATOM 0 H LEU A 96 6.868 -2.621 -3.534 1.00 64.31 H new ATOM 0 HA LEU A 96 9.711 -2.518 -4.199 1.00 54.53 H new ATOM 0 HB2 LEU A 96 8.011 -4.228 -2.744 1.00 63.42 H new ATOM 0 HB3 LEU A 96 8.421 -5.133 -4.187 1.00 63.42 H new ATOM 0 HG LEU A 96 9.940 -5.661 -2.363 1.00 30.02 H new ATOM 0 HD11 LEU A 96 12.079 -5.240 -3.509 1.00 72.42 H new ATOM 0 HD12 LEU A 96 10.810 -5.749 -4.647 1.00 72.42 H new ATOM 0 HD13 LEU A 96 11.281 -4.036 -4.548 1.00 72.42 H new ATOM 0 HD21 LEU A 96 11.499 -3.968 -1.477 1.00 72.23 H new ATOM 0 HD22 LEU A 96 10.676 -2.715 -2.436 1.00 72.23 H new ATOM 0 HD23 LEU A 96 9.804 -3.551 -1.129 1.00 72.23 H new ATOM 1520 N ASN A 97 7.507 -2.881 -6.421 1.00 32.13 N ATOM 1521 CA ASN A 97 7.243 -3.112 -7.836 1.00 71.12 C ATOM 1522 C ASN A 97 7.394 -4.590 -8.184 1.00 33.14 C ATOM 1523 O ASN A 97 7.766 -4.940 -9.303 1.00 54.02 O ATOM 1524 CB ASN A 97 8.192 -2.275 -8.697 1.00 33.14 C ATOM 1525 CG ASN A 97 7.461 -1.496 -9.773 1.00 72.53 C ATOM 1526 OD1 ASN A 97 6.486 -0.798 -9.496 1.00 53.11 O ATOM 1527 ND2 ASN A 97 7.930 -1.614 -11.010 1.00 22.10 N ATOM 0 H ASN A 97 6.784 -2.346 -5.939 1.00 32.13 H new ATOM 0 HA ASN A 97 6.216 -2.811 -8.041 1.00 71.12 H new ATOM 0 HB2 ASN A 97 8.740 -1.582 -8.059 1.00 33.14 H new ATOM 0 HB3 ASN A 97 8.928 -2.930 -9.163 1.00 33.14 H new ATOM 0 HD21 ASN A 97 7.479 -1.114 -11.776 1.00 22.10 H new ATOM 0 HD22 ASN A 97 8.741 -2.204 -11.194 1.00 22.10 H new ATOM 1534 N MET A 98 7.102 -5.453 -7.216 1.00 13.44 N ATOM 1535 CA MET A 98 7.203 -6.893 -7.420 1.00 0.03 C ATOM 1536 C MET A 98 5.827 -7.548 -7.364 1.00 74.15 C ATOM 1537 O MET A 98 5.371 -7.971 -6.302 1.00 34.15 O ATOM 1538 CB MET A 98 8.120 -7.516 -6.365 1.00 51.22 C ATOM 1539 CG MET A 98 8.608 -8.908 -6.730 1.00 71.34 C ATOM 1540 SD MET A 98 9.033 -9.897 -5.284 1.00 3.23 S ATOM 1541 CE MET A 98 10.616 -9.184 -4.840 1.00 74.31 C ATOM 0 H MET A 98 6.794 -5.180 -6.283 1.00 13.44 H new ATOM 0 HA MET A 98 7.628 -7.066 -8.409 1.00 0.03 H new ATOM 0 HB2 MET A 98 8.982 -6.866 -6.215 1.00 51.22 H new ATOM 0 HB3 MET A 98 7.587 -7.564 -5.415 1.00 51.22 H new ATOM 0 HG2 MET A 98 7.835 -9.421 -7.302 1.00 71.34 H new ATOM 0 HG3 MET A 98 9.481 -8.824 -7.377 1.00 71.34 H new ATOM 0 HE1 MET A 98 11.010 -9.692 -3.960 1.00 74.31 H new ATOM 0 HE2 MET A 98 11.314 -9.302 -5.669 1.00 74.31 H new ATOM 0 HE3 MET A 98 10.489 -8.124 -4.621 1.00 74.31 H new ATOM 1551 N THR A 99 5.168 -7.629 -8.516 1.00 53.14 N ATOM 1552 CA THR A 99 3.843 -8.231 -8.599 1.00 0.14 C ATOM 1553 C THR A 99 3.872 -9.687 -8.148 1.00 51.10 C ATOM 1554 O THR A 99 4.205 -10.581 -8.925 1.00 63.44 O ATOM 1555 CB THR A 99 3.281 -8.160 -10.031 1.00 44.31 C ATOM 1556 OG1 THR A 99 3.175 -6.794 -10.448 1.00 60.03 O ATOM 1557 CG2 THR A 99 1.917 -8.828 -10.111 1.00 40.43 C ATOM 0 H THR A 99 5.531 -7.285 -9.405 1.00 53.14 H new ATOM 0 HA THR A 99 3.195 -7.660 -7.934 1.00 0.14 H new ATOM 0 HB THR A 99 3.966 -8.689 -10.693 1.00 44.31 H new ATOM 0 HG1 THR A 99 2.358 -6.676 -10.976 1.00 60.03 H new ATOM 0 HG21 THR A 99 1.540 -8.765 -11.132 1.00 40.43 H new ATOM 0 HG22 THR A 99 2.007 -9.875 -9.821 1.00 40.43 H new ATOM 0 HG23 THR A 99 1.225 -8.323 -9.437 1.00 40.43 H new ATOM 1565 N VAL A 100 3.520 -9.919 -6.887 1.00 53.43 N ATOM 1566 CA VAL A 100 3.503 -11.267 -6.334 1.00 25.34 C ATOM 1567 C VAL A 100 2.578 -12.178 -7.133 1.00 23.34 C ATOM 1568 O VAL A 100 1.979 -11.758 -8.122 1.00 12.30 O ATOM 1569 CB VAL A 100 3.055 -11.264 -4.860 1.00 43.40 C ATOM 1570 CG1 VAL A 100 4.163 -10.727 -3.966 1.00 52.43 C ATOM 1571 CG2 VAL A 100 1.782 -10.449 -4.693 1.00 13.31 C ATOM 0 H VAL A 100 3.243 -9.190 -6.230 1.00 53.43 H new ATOM 0 HA VAL A 100 4.523 -11.646 -6.395 1.00 25.34 H new ATOM 0 HB VAL A 100 2.844 -12.290 -4.560 1.00 43.40 H new ATOM 0 HG11 VAL A 100 3.828 -10.732 -2.929 1.00 52.43 H new ATOM 0 HG12 VAL A 100 5.048 -11.356 -4.065 1.00 52.43 H new ATOM 0 HG13 VAL A 100 4.408 -9.707 -4.263 1.00 52.43 H new ATOM 0 HG21 VAL A 100 1.479 -10.457 -3.646 1.00 13.31 H new ATOM 0 HG22 VAL A 100 1.963 -9.422 -5.010 1.00 13.31 H new ATOM 0 HG23 VAL A 100 0.990 -10.883 -5.303 1.00 13.31 H new ATOM 1581 N SER A 101 2.466 -13.429 -6.696 1.00 5.20 N ATOM 1582 CA SER A 101 1.616 -14.401 -7.372 1.00 64.44 C ATOM 1583 C SER A 101 0.247 -14.484 -6.704 1.00 42.34 C ATOM 1584 O SER A 101 -0.784 -14.282 -7.347 1.00 30.41 O ATOM 1585 CB SER A 101 2.281 -15.779 -7.371 1.00 32.52 C ATOM 1586 OG SER A 101 3.414 -15.798 -6.520 1.00 61.22 O ATOM 0 H SER A 101 2.953 -13.792 -5.877 1.00 5.20 H new ATOM 0 HA SER A 101 1.479 -14.072 -8.402 1.00 64.44 H new ATOM 0 HB2 SER A 101 1.564 -16.532 -7.044 1.00 32.52 H new ATOM 0 HB3 SER A 101 2.580 -16.043 -8.386 1.00 32.52 H new ATOM 0 HG SER A 101 3.820 -16.690 -6.536 1.00 61.22 H new ATOM 1592 N THR A 102 0.245 -14.781 -5.409 1.00 33.43 N ATOM 1593 CA THR A 102 -0.996 -14.892 -4.652 1.00 71.03 C ATOM 1594 C THR A 102 -1.010 -13.924 -3.474 1.00 71.45 C ATOM 1595 O THR A 102 0.035 -13.432 -3.051 1.00 62.01 O ATOM 1596 CB THR A 102 -1.208 -16.325 -4.128 1.00 14.44 C ATOM 1597 OG1 THR A 102 -0.340 -16.573 -3.017 1.00 23.31 O ATOM 1598 CG2 THR A 102 -0.945 -17.347 -5.223 1.00 43.30 C ATOM 0 H THR A 102 1.089 -14.949 -4.862 1.00 33.43 H new ATOM 0 HA THR A 102 -1.807 -14.640 -5.335 1.00 71.03 H new ATOM 0 HB THR A 102 -2.245 -16.421 -3.807 1.00 14.44 H new ATOM 0 HG1 THR A 102 0.578 -16.332 -3.259 1.00 23.31 H new ATOM 0 HG21 THR A 102 -1.101 -18.351 -4.829 1.00 43.30 H new ATOM 0 HG22 THR A 102 -1.628 -17.173 -6.054 1.00 43.30 H new ATOM 0 HG23 THR A 102 0.083 -17.250 -5.572 1.00 43.30 H new ATOM 1606 N ALA A 103 -2.201 -13.657 -2.949 1.00 0.51 N ATOM 1607 CA ALA A 103 -2.350 -12.750 -1.818 1.00 12.44 C ATOM 1608 C ALA A 103 -1.474 -13.183 -0.647 1.00 34.40 C ATOM 1609 O ALA A 103 -0.862 -12.353 0.023 1.00 4.20 O ATOM 1610 CB ALA A 103 -3.808 -12.675 -1.389 1.00 73.43 C ATOM 0 H ALA A 103 -3.076 -14.056 -3.289 1.00 0.51 H new ATOM 0 HA ALA A 103 -2.024 -11.759 -2.134 1.00 12.44 H new ATOM 0 HB1 ALA A 103 -3.904 -11.994 -0.543 1.00 73.43 H new ATOM 0 HB2 ALA A 103 -4.413 -12.310 -2.219 1.00 73.43 H new ATOM 0 HB3 ALA A 103 -4.153 -13.667 -1.097 1.00 73.43 H new ATOM 1616 N ALA A 104 -1.421 -14.489 -0.406 1.00 60.31 N ATOM 1617 CA ALA A 104 -0.619 -15.033 0.683 1.00 51.00 C ATOM 1618 C ALA A 104 0.865 -14.767 0.457 1.00 24.24 C ATOM 1619 O ALA A 104 1.572 -14.330 1.365 1.00 42.22 O ATOM 1620 CB ALA A 104 -0.873 -16.526 0.831 1.00 15.34 C ATOM 0 H ALA A 104 -1.924 -15.190 -0.950 1.00 60.31 H new ATOM 0 HA ALA A 104 -0.915 -14.532 1.605 1.00 51.00 H new ATOM 0 HB1 ALA A 104 -0.268 -16.919 1.648 1.00 15.34 H new ATOM 0 HB2 ALA A 104 -1.928 -16.696 1.047 1.00 15.34 H new ATOM 0 HB3 ALA A 104 -0.606 -17.034 -0.096 1.00 15.34 H new ATOM 1626 N ALA A 105 1.332 -15.035 -0.758 1.00 32.11 N ATOM 1627 CA ALA A 105 2.732 -14.824 -1.103 1.00 1.54 C ATOM 1628 C ALA A 105 3.158 -13.388 -0.813 1.00 30.33 C ATOM 1629 O ALA A 105 4.242 -13.148 -0.282 1.00 50.42 O ATOM 1630 CB ALA A 105 2.972 -15.162 -2.566 1.00 44.04 C ATOM 0 H ALA A 105 0.760 -15.399 -1.520 1.00 32.11 H new ATOM 0 HA ALA A 105 3.337 -15.487 -0.485 1.00 1.54 H new ATOM 0 HB1 ALA A 105 4.022 -15.000 -2.809 1.00 44.04 H new ATOM 0 HB2 ALA A 105 2.715 -16.206 -2.745 1.00 44.04 H new ATOM 0 HB3 ALA A 105 2.351 -14.523 -3.194 1.00 44.04 H new ATOM 1636 N ALA A 106 2.298 -12.438 -1.165 1.00 21.20 N ATOM 1637 CA ALA A 106 2.585 -11.027 -0.941 1.00 42.22 C ATOM 1638 C ALA A 106 2.762 -10.731 0.544 1.00 32.33 C ATOM 1639 O ALA A 106 3.768 -10.156 0.956 1.00 3.41 O ATOM 1640 CB ALA A 106 1.476 -10.164 -1.525 1.00 4.42 C ATOM 0 H ALA A 106 1.397 -12.620 -1.606 1.00 21.20 H new ATOM 0 HA ALA A 106 3.521 -10.788 -1.446 1.00 42.22 H new ATOM 0 HB1 ALA A 106 1.703 -9.112 -1.351 1.00 4.42 H new ATOM 0 HB2 ALA A 106 1.400 -10.346 -2.597 1.00 4.42 H new ATOM 0 HB3 ALA A 106 0.529 -10.415 -1.046 1.00 4.42 H new ATOM 1646 N GLU A 107 1.776 -11.129 1.343 1.00 4.44 N ATOM 1647 CA GLU A 107 1.824 -10.904 2.783 1.00 32.04 C ATOM 1648 C GLU A 107 3.020 -11.619 3.406 1.00 13.43 C ATOM 1649 O GLU A 107 3.692 -11.077 4.283 1.00 34.31 O ATOM 1650 CB GLU A 107 0.529 -11.386 3.440 1.00 33.41 C ATOM 1651 CG GLU A 107 0.497 -11.182 4.945 1.00 31.14 C ATOM 1652 CD GLU A 107 0.769 -12.461 5.714 1.00 54.14 C ATOM 1653 OE1 GLU A 107 1.741 -13.165 5.368 1.00 11.51 O ATOM 1654 OE2 GLU A 107 0.010 -12.758 6.659 1.00 34.24 O ATOM 0 H GLU A 107 0.936 -11.608 1.018 1.00 4.44 H new ATOM 0 HA GLU A 107 1.933 -9.833 2.954 1.00 32.04 H new ATOM 0 HB2 GLU A 107 -0.314 -10.859 2.992 1.00 33.41 H new ATOM 0 HB3 GLU A 107 0.394 -12.446 3.223 1.00 33.41 H new ATOM 0 HG2 GLU A 107 1.238 -10.432 5.222 1.00 31.14 H new ATOM 0 HG3 GLU A 107 -0.478 -10.789 5.234 1.00 31.14 H new ATOM 1661 N ASN A 108 3.278 -12.839 2.946 1.00 10.53 N ATOM 1662 CA ASN A 108 4.392 -13.629 3.459 1.00 54.44 C ATOM 1663 C ASN A 108 5.709 -12.874 3.308 1.00 12.53 C ATOM 1664 O ASN A 108 6.510 -12.812 4.240 1.00 24.10 O ATOM 1665 CB ASN A 108 4.473 -14.969 2.726 1.00 72.23 C ATOM 1666 CG ASN A 108 3.745 -16.076 3.463 1.00 22.45 C ATOM 1667 OD1 ASN A 108 4.283 -17.167 3.656 1.00 70.13 O ATOM 1668 ND2 ASN A 108 2.515 -15.800 3.881 1.00 60.35 N ATOM 0 H ASN A 108 2.732 -13.302 2.220 1.00 10.53 H new ATOM 0 HA ASN A 108 4.218 -13.812 4.519 1.00 54.44 H new ATOM 0 HB2 ASN A 108 4.048 -14.860 1.728 1.00 72.23 H new ATOM 0 HB3 ASN A 108 5.519 -15.248 2.599 1.00 72.23 H new ATOM 0 HD21 ASN A 108 1.977 -16.506 4.384 1.00 60.35 H new ATOM 0 HD22 ASN A 108 2.108 -14.882 3.699 1.00 60.35 H new ATOM 1675 N MET A 109 5.924 -12.300 2.129 1.00 65.00 N ATOM 1676 CA MET A 109 7.144 -11.547 1.857 1.00 34.33 C ATOM 1677 C MET A 109 7.225 -10.307 2.742 1.00 65.31 C ATOM 1678 O MET A 109 8.303 -9.935 3.207 1.00 50.11 O ATOM 1679 CB MET A 109 7.200 -11.141 0.383 1.00 32.13 C ATOM 1680 CG MET A 109 8.328 -10.174 0.062 1.00 21.40 C ATOM 1681 SD MET A 109 9.956 -10.864 0.417 1.00 72.14 S ATOM 1682 CE MET A 109 10.883 -9.375 0.777 1.00 44.22 C ATOM 0 H MET A 109 5.270 -12.341 1.347 1.00 65.00 H new ATOM 0 HA MET A 109 7.996 -12.189 2.082 1.00 34.33 H new ATOM 0 HB2 MET A 109 7.315 -12.036 -0.228 1.00 32.13 H new ATOM 0 HB3 MET A 109 6.250 -10.684 0.104 1.00 32.13 H new ATOM 0 HG2 MET A 109 8.276 -9.898 -0.991 1.00 21.40 H new ATOM 0 HG3 MET A 109 8.192 -9.259 0.638 1.00 21.40 H new ATOM 0 HE1 MET A 109 11.593 -9.573 1.580 1.00 44.22 H new ATOM 0 HE2 MET A 109 11.424 -9.059 -0.115 1.00 44.22 H new ATOM 0 HE3 MET A 109 10.198 -8.585 1.085 1.00 44.22 H new ATOM 1692 N TYR A 110 6.081 -9.672 2.970 1.00 63.40 N ATOM 1693 CA TYR A 110 6.025 -8.473 3.797 1.00 54.43 C ATOM 1694 C TYR A 110 6.523 -8.761 5.210 1.00 52.44 C ATOM 1695 O TYR A 110 7.211 -7.940 5.817 1.00 71.04 O ATOM 1696 CB TYR A 110 4.595 -7.931 3.849 1.00 41.35 C ATOM 1697 CG TYR A 110 4.520 -6.448 4.137 1.00 34.40 C ATOM 1698 CD1 TYR A 110 4.902 -5.515 3.182 1.00 52.43 C ATOM 1699 CD2 TYR A 110 4.067 -5.982 5.365 1.00 42.41 C ATOM 1700 CE1 TYR A 110 4.835 -4.159 3.441 1.00 62.31 C ATOM 1701 CE2 TYR A 110 3.996 -4.628 5.632 1.00 32.23 C ATOM 1702 CZ TYR A 110 4.381 -3.721 4.667 1.00 21.14 C ATOM 1703 OH TYR A 110 4.313 -2.372 4.930 1.00 31.14 O ATOM 0 H TYR A 110 5.180 -9.968 2.594 1.00 63.40 H new ATOM 0 HA TYR A 110 6.676 -7.722 3.348 1.00 54.43 H new ATOM 0 HB2 TYR A 110 4.104 -8.133 2.897 1.00 41.35 H new ATOM 0 HB3 TYR A 110 4.039 -8.470 4.616 1.00 41.35 H new ATOM 0 HD1 TYR A 110 5.258 -5.855 2.220 1.00 52.43 H new ATOM 0 HD2 TYR A 110 3.765 -6.689 6.123 1.00 42.41 H new ATOM 0 HE1 TYR A 110 5.137 -3.447 2.687 1.00 62.31 H new ATOM 0 HE2 TYR A 110 3.641 -4.282 6.591 1.00 32.23 H new ATOM 0 HH TYR A 110 3.584 -2.198 5.562 1.00 31.14 H new ATOM 1713 N SER A 111 6.170 -9.933 5.727 1.00 62.21 N ATOM 1714 CA SER A 111 6.578 -10.330 7.069 1.00 20.14 C ATOM 1715 C SER A 111 7.996 -10.893 7.062 1.00 0.04 C ATOM 1716 O SER A 111 8.805 -10.575 7.934 1.00 71.43 O ATOM 1717 CB SER A 111 5.607 -11.369 7.634 1.00 64.32 C ATOM 1718 OG SER A 111 6.026 -12.685 7.315 1.00 45.24 O ATOM 0 H SER A 111 5.602 -10.624 5.237 1.00 62.21 H new ATOM 0 HA SER A 111 6.561 -9.444 7.704 1.00 20.14 H new ATOM 0 HB2 SER A 111 5.540 -11.258 8.716 1.00 64.32 H new ATOM 0 HB3 SER A 111 4.609 -11.194 7.233 1.00 64.32 H new ATOM 0 HG SER A 111 5.390 -13.330 7.688 1.00 45.24 H new ATOM 1724 N GLN A 112 8.289 -11.730 6.073 1.00 74.35 N ATOM 1725 CA GLN A 112 9.608 -12.338 5.952 1.00 63.41 C ATOM 1726 C GLN A 112 10.696 -11.271 5.896 1.00 24.23 C ATOM 1727 O GLN A 112 11.793 -11.461 6.422 1.00 33.12 O ATOM 1728 CB GLN A 112 9.676 -13.218 4.702 1.00 14.12 C ATOM 1729 CG GLN A 112 10.872 -14.156 4.682 1.00 51.42 C ATOM 1730 CD GLN A 112 10.613 -15.415 3.879 1.00 74.02 C ATOM 1731 OE1 GLN A 112 10.495 -16.507 4.436 1.00 43.04 O ATOM 1732 NE2 GLN A 112 10.522 -15.270 2.562 1.00 15.40 N ATOM 0 H GLN A 112 7.630 -12.003 5.343 1.00 74.35 H new ATOM 0 HA GLN A 112 9.776 -12.957 6.833 1.00 63.41 H new ATOM 0 HB2 GLN A 112 8.762 -13.807 4.633 1.00 14.12 H new ATOM 0 HB3 GLN A 112 9.711 -12.579 3.820 1.00 14.12 H new ATOM 0 HG2 GLN A 112 11.732 -13.633 4.263 1.00 51.42 H new ATOM 0 HG3 GLN A 112 11.132 -14.429 5.705 1.00 51.42 H new ATOM 0 HE21 GLN A 112 10.626 -14.346 2.142 1.00 15.40 H new ATOM 0 HE22 GLN A 112 10.348 -16.082 1.970 1.00 15.40 H new ATOM 1741 N MET A 113 10.386 -10.149 5.255 1.00 34.25 N ATOM 1742 CA MET A 113 11.338 -9.051 5.132 1.00 35.32 C ATOM 1743 C MET A 113 11.476 -8.301 6.453 1.00 54.41 C ATOM 1744 O MET A 113 12.509 -7.692 6.727 1.00 22.31 O ATOM 1745 CB MET A 113 10.897 -8.088 4.028 1.00 4.12 C ATOM 1746 CG MET A 113 12.042 -7.290 3.426 1.00 3.53 C ATOM 1747 SD MET A 113 11.691 -5.523 3.347 1.00 12.21 S ATOM 1748 CE MET A 113 11.942 -5.205 1.602 1.00 24.53 C ATOM 0 H MET A 113 9.483 -9.976 4.813 1.00 34.25 H new ATOM 0 HA MET A 113 12.309 -9.471 4.871 1.00 35.32 H new ATOM 0 HB2 MET A 113 10.405 -8.655 3.238 1.00 4.12 H new ATOM 0 HB3 MET A 113 10.157 -7.398 4.433 1.00 4.12 H new ATOM 0 HG2 MET A 113 12.943 -7.451 4.018 1.00 3.53 H new ATOM 0 HG3 MET A 113 12.250 -7.660 2.422 1.00 3.53 H new ATOM 0 HE1 MET A 113 11.762 -4.150 1.395 1.00 24.53 H new ATOM 0 HE2 MET A 113 12.967 -5.458 1.330 1.00 24.53 H new ATOM 0 HE3 MET A 113 11.251 -5.813 1.018 1.00 24.53 H new ATOM 1758 N GLY A 114 10.426 -8.348 7.268 1.00 1.41 N ATOM 1759 CA GLY A 114 10.451 -7.667 8.550 1.00 63.42 C ATOM 1760 C GLY A 114 9.547 -6.451 8.578 1.00 4.04 C ATOM 1761 O GLY A 114 9.722 -5.558 9.409 1.00 53.02 O ATOM 0 H GLY A 114 9.559 -8.845 7.064 1.00 1.41 H new ATOM 0 HA2 GLY A 114 10.145 -8.361 9.333 1.00 63.42 H new ATOM 0 HA3 GLY A 114 11.473 -7.362 8.776 1.00 63.42 H new