USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 810 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 14 TYR OH : rot 70:sc= 1.29 USER MOD Set 1.2: A 103 SER OG : rot 35:sc= 1.08 USER MOD Set 2.1: A 38 SER OG : rot -160:sc= -0.653 USER MOD Set 2.2: A 93 ASN : amide:sc= -7.99! C(o=-8.6!,f=-19!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 110:sc= -0.258 USER MOD Single : A 20 SER OG : rot 24:sc= 0.779 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 2:sc= 1.01 USER MOD Single : A 33 ASN : amide:sc= 0.565 K(o=0.57,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ -117:sc= -1.42 (180deg=-4.18!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.185 K(o=-0.19,f=-2.5!) USER MOD Single : A 63 GLN : amide:sc=-0.00482 K(o=-0.0048,f=-0.94) USER MOD Single : A 64 SER OG : rot -21:sc= -4.52! USER MOD Single : A 65 ASN : amide:sc= -0.0804 K(o=-0.08,f=-1.3) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 114:sc= 0.721 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.513 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0356 USER MOD Single : A 78 ASN : amide:sc= -1.03 K(o=-1,f=-2.4!) USER MOD Single : A 79 LYS NZ :NH3+ 163:sc= -0.0159 (180deg=-0.178) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -4.48! C(o=-4.5!,f=-5.2!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -38:sc= -0.769 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0.255 K(o=0.25,f=-0.96!) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -10.228 -15.466 2.264 1.00 0.00 N ATOM 67 CA LEU A 8 -10.149 -14.042 1.956 1.00 0.00 C ATOM 68 C LEU A 8 -9.090 -13.358 2.815 1.00 0.00 C ATOM 69 O LEU A 8 -8.929 -13.655 3.999 1.00 0.00 O ATOM 70 CB LEU A 8 -11.508 -13.376 2.174 1.00 0.00 C ATOM 71 CG LEU A 8 -12.697 -14.031 1.469 1.00 0.00 C ATOM 72 CD1 LEU A 8 -13.974 -13.816 2.266 1.00 0.00 C ATOM 73 CD2 LEU A 8 -12.849 -13.481 0.058 1.00 0.00 C ATOM 0 HA LEU A 8 -9.865 -13.937 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.712 -13.355 3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.440 -12.340 1.842 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.510 -15.103 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.809 -14.289 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.863 -14.257 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.166 -12.748 2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.700 -13.958 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.013 -12.404 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.943 -13.686 -0.512 1.00 0.00 H new ATOM 85 N PRO A 9 -8.352 -12.417 2.207 1.00 0.00 N ATOM 86 CA PRO A 9 -7.299 -11.668 2.899 1.00 0.00 C ATOM 87 C PRO A 9 -7.860 -10.699 3.933 1.00 0.00 C ATOM 88 O PRO A 9 -8.853 -10.016 3.682 1.00 0.00 O ATOM 89 CB PRO A 9 -6.607 -10.903 1.768 1.00 0.00 C ATOM 90 CG PRO A 9 -7.647 -10.769 0.710 1.00 0.00 C ATOM 91 CD PRO A 9 -8.490 -12.011 0.798 1.00 0.00 C ATOM 0 HA PRO A 9 -6.632 -12.324 3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.258 -9.927 2.106 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.735 -11.444 1.400 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.251 -9.875 0.868 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.191 -10.676 -0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.529 -11.811 0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.135 -12.787 0.120 1.00 0.00 H new ATOM 99 N GLN A 10 -7.218 -10.644 5.096 1.00 0.00 N ATOM 100 CA GLN A 10 -7.655 -9.757 6.168 1.00 0.00 C ATOM 101 C GLN A 10 -6.511 -8.861 6.632 1.00 0.00 C ATOM 102 O GLN A 10 -5.354 -9.280 6.667 1.00 0.00 O ATOM 103 CB GLN A 10 -8.191 -10.572 7.346 1.00 0.00 C ATOM 104 CG GLN A 10 -9.373 -11.457 6.985 1.00 0.00 C ATOM 105 CD GLN A 10 -9.923 -12.211 8.180 1.00 0.00 C ATOM 106 OE1 GLN A 10 -9.839 -13.438 8.247 1.00 0.00 O ATOM 107 NE2 GLN A 10 -10.491 -11.479 9.132 1.00 0.00 N ATOM 0 H GLN A 10 -6.394 -11.203 5.320 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.454 -9.125 5.780 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.389 -11.195 7.741 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.488 -9.891 8.143 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -10.163 -10.843 6.552 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.068 -12.170 6.219 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.539 -10.465 9.035 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.879 -11.931 9.960 1.00 0.00 H new ATOM 116 N VAL A 11 -6.843 -7.624 6.989 1.00 0.00 N ATOM 117 CA VAL A 11 -5.844 -6.668 7.453 1.00 0.00 C ATOM 118 C VAL A 11 -6.235 -6.076 8.802 1.00 0.00 C ATOM 119 O VAL A 11 -7.027 -5.136 8.872 1.00 0.00 O ATOM 120 CB VAL A 11 -5.649 -5.524 6.440 1.00 0.00 C ATOM 121 CG1 VAL A 11 -4.659 -4.501 6.974 1.00 0.00 C ATOM 122 CG2 VAL A 11 -5.188 -6.074 5.098 1.00 0.00 C ATOM 0 H VAL A 11 -7.796 -7.261 6.966 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.907 -7.215 7.557 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.607 -5.025 6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.534 -3.701 6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.034 -4.085 7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.698 -4.983 7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.055 -5.252 4.394 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.241 -6.599 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.937 -6.765 4.711 1.00 0.00 H new ATOM 132 N GLU A 12 -5.674 -6.632 9.871 1.00 0.00 N ATOM 133 CA GLU A 12 -5.965 -6.158 11.219 1.00 0.00 C ATOM 134 C GLU A 12 -5.380 -4.767 11.445 1.00 0.00 C ATOM 135 O GLU A 12 -6.081 -3.848 11.866 1.00 0.00 O ATOM 136 CB GLU A 12 -5.407 -7.133 12.258 1.00 0.00 C ATOM 137 CG GLU A 12 -6.190 -7.150 13.560 1.00 0.00 C ATOM 138 CD GLU A 12 -5.413 -7.777 14.701 1.00 0.00 C ATOM 139 OE1 GLU A 12 -5.470 -9.016 14.846 1.00 0.00 O ATOM 140 OE2 GLU A 12 -4.748 -7.029 15.448 1.00 0.00 O ATOM 0 H GLU A 12 -5.016 -7.410 9.830 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.048 -6.100 11.330 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.401 -8.137 11.835 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.371 -6.870 12.471 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.462 -6.129 13.829 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.120 -7.700 13.413 1.00 0.00 H new ATOM 147 N ALA A 13 -4.089 -4.622 11.162 1.00 0.00 N ATOM 148 CA ALA A 13 -3.409 -3.344 11.333 1.00 0.00 C ATOM 149 C ALA A 13 -2.227 -3.219 10.378 1.00 0.00 C ATOM 150 O ALA A 13 -1.926 -4.144 9.623 1.00 0.00 O ATOM 151 CB ALA A 13 -2.946 -3.181 12.773 1.00 0.00 C ATOM 0 H ALA A 13 -3.494 -5.373 10.814 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.117 -2.549 11.099 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.440 -2.222 12.886 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.808 -3.217 13.439 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.258 -3.987 13.027 1.00 0.00 H new ATOM 157 N TYR A 14 -1.561 -2.070 10.415 1.00 0.00 N ATOM 158 CA TYR A 14 -0.414 -1.824 9.550 1.00 0.00 C ATOM 159 C TYR A 14 0.496 -0.753 10.144 1.00 0.00 C ATOM 160 O TYR A 14 0.026 0.219 10.734 1.00 0.00 O ATOM 161 CB TYR A 14 -0.881 -1.396 8.157 1.00 0.00 C ATOM 162 CG TYR A 14 -1.777 -0.179 8.166 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.260 1.086 8.421 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.140 -0.292 7.921 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.075 2.202 8.431 1.00 0.00 C ATOM 166 CE2 TYR A 14 -3.961 0.818 7.928 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.424 2.063 8.184 1.00 0.00 C ATOM 168 OH TYR A 14 -4.240 3.171 8.192 1.00 0.00 O ATOM 0 H TYR A 14 -1.796 -1.295 11.035 1.00 0.00 H new ATOM 0 HA TYR A 14 0.152 -2.752 9.467 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.008 -1.189 7.538 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.413 -2.225 7.691 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.203 1.199 8.615 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.565 -1.265 7.722 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.657 3.178 8.631 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.018 0.712 7.734 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.044 3.727 7.409 1.00 0.00 H new ATOM 178 N SER A 15 1.802 -0.940 9.983 1.00 0.00 N ATOM 179 CA SER A 15 2.780 0.007 10.505 1.00 0.00 C ATOM 180 C SER A 15 3.988 0.109 9.577 1.00 0.00 C ATOM 181 O SER A 15 4.392 -0.860 8.934 1.00 0.00 O ATOM 182 CB SER A 15 3.233 -0.415 11.905 1.00 0.00 C ATOM 183 OG SER A 15 3.705 -1.751 11.907 1.00 0.00 O ATOM 0 H SER A 15 2.207 -1.739 9.495 1.00 0.00 H new ATOM 0 HA SER A 15 2.305 0.986 10.564 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.021 0.253 12.252 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.402 -0.318 12.604 1.00 0.00 H new ATOM 0 HG SER A 15 3.990 -1.996 12.812 1.00 0.00 H new ATOM 189 N PRO A 16 4.578 1.311 9.506 1.00 0.00 N ATOM 190 CA PRO A 16 4.105 2.471 10.267 1.00 0.00 C ATOM 191 C PRO A 16 2.764 2.990 9.758 1.00 0.00 C ATOM 192 O PRO A 16 2.516 3.020 8.553 1.00 0.00 O ATOM 193 CB PRO A 16 5.203 3.514 10.041 1.00 0.00 C ATOM 194 CG PRO A 16 5.830 3.130 8.745 1.00 0.00 C ATOM 195 CD PRO A 16 5.752 1.630 8.676 1.00 0.00 C ATOM 0 HA PRO A 16 3.936 2.230 11.317 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.789 4.521 9.997 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.932 3.504 10.852 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.304 3.587 7.907 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.865 3.470 8.696 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.626 1.281 7.651 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.657 1.162 9.063 1.00 0.00 H new ATOM 203 N SER A 17 1.904 3.400 10.685 1.00 0.00 N ATOM 204 CA SER A 17 0.586 3.915 10.330 1.00 0.00 C ATOM 205 C SER A 17 0.678 4.868 9.143 1.00 0.00 C ATOM 206 O SER A 17 -0.300 5.081 8.427 1.00 0.00 O ATOM 207 CB SER A 17 -0.043 4.631 11.527 1.00 0.00 C ATOM 208 OG SER A 17 -0.014 3.813 12.684 1.00 0.00 O ATOM 0 H SER A 17 2.096 3.386 11.687 1.00 0.00 H new ATOM 0 HA SER A 17 -0.044 3.071 10.048 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.493 5.560 11.721 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.073 4.900 11.294 1.00 0.00 H new ATOM 0 HG SER A 17 -0.420 4.294 13.435 1.00 0.00 H new ATOM 214 N ALA A 18 1.860 5.440 8.941 1.00 0.00 N ATOM 215 CA ALA A 18 2.081 6.370 7.840 1.00 0.00 C ATOM 216 C ALA A 18 3.561 6.457 7.484 1.00 0.00 C ATOM 217 O ALA A 18 4.419 5.998 8.239 1.00 0.00 O ATOM 218 CB ALA A 18 1.540 7.746 8.195 1.00 0.00 C ATOM 0 H ALA A 18 2.680 5.276 9.525 1.00 0.00 H new ATOM 0 HA ALA A 18 1.546 5.995 6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.712 8.430 7.364 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.470 7.677 8.393 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.050 8.119 9.083 1.00 0.00 H new ATOM 224 N CYS A 19 3.854 7.047 6.331 1.00 0.00 N ATOM 225 CA CYS A 19 5.231 7.193 5.874 1.00 0.00 C ATOM 226 C CYS A 19 5.383 8.427 4.990 1.00 0.00 C ATOM 227 O CYS A 19 4.428 9.175 4.781 1.00 0.00 O ATOM 228 CB CYS A 19 5.671 5.945 5.108 1.00 0.00 C ATOM 229 SG CYS A 19 7.436 5.576 5.249 1.00 0.00 S ATOM 0 H CYS A 19 3.156 7.432 5.695 1.00 0.00 H new ATOM 0 HA CYS A 19 5.867 7.316 6.750 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.102 5.089 5.471 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.420 6.071 4.055 1.00 0.00 H new ATOM 0 HG CYS A 19 7.600 4.507 5.971 1.00 0.00 H new ATOM 235 N SER A 20 6.591 8.634 4.474 1.00 0.00 N ATOM 236 CA SER A 20 6.869 9.780 3.617 1.00 0.00 C ATOM 237 C SER A 20 6.614 9.438 2.152 1.00 0.00 C ATOM 238 O SER A 20 6.480 8.269 1.790 1.00 0.00 O ATOM 239 CB SER A 20 8.317 10.241 3.800 1.00 0.00 C ATOM 240 OG SER A 20 8.453 11.621 3.512 1.00 0.00 O ATOM 0 H SER A 20 7.392 8.023 4.635 1.00 0.00 H new ATOM 0 HA SER A 20 6.198 10.589 3.905 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.637 10.047 4.824 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.971 9.664 3.146 1.00 0.00 H new ATOM 0 HG SER A 20 7.589 12.068 3.635 1.00 0.00 H new ATOM 246 N VAL A 21 6.548 10.467 1.313 1.00 0.00 N ATOM 247 CA VAL A 21 6.310 10.277 -0.112 1.00 0.00 C ATOM 248 C VAL A 21 7.381 9.388 -0.735 1.00 0.00 C ATOM 249 O VAL A 21 7.132 8.700 -1.725 1.00 0.00 O ATOM 250 CB VAL A 21 6.278 11.624 -0.860 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.902 12.263 -0.749 1.00 0.00 C ATOM 252 CG2 VAL A 21 7.354 12.556 -0.324 1.00 0.00 C ATOM 0 H VAL A 21 6.656 11.441 1.596 1.00 0.00 H new ATOM 0 HA VAL A 21 5.338 9.792 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 21 6.482 11.440 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.898 13.213 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.156 11.599 -1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.665 12.436 0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.317 13.502 -0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.183 12.736 0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.334 12.098 -0.461 1.00 0.00 H new ATOM 262 N ARG A 22 8.572 9.407 -0.147 1.00 0.00 N ATOM 263 CA ARG A 22 9.682 8.603 -0.644 1.00 0.00 C ATOM 264 C ARG A 22 9.589 7.170 -0.129 1.00 0.00 C ATOM 265 O ARG A 22 10.358 6.301 -0.538 1.00 0.00 O ATOM 266 CB ARG A 22 11.017 9.222 -0.224 1.00 0.00 C ATOM 267 CG ARG A 22 11.189 9.332 1.282 1.00 0.00 C ATOM 268 CD ARG A 22 12.657 9.304 1.678 1.00 0.00 C ATOM 269 NE ARG A 22 13.296 10.606 1.503 1.00 0.00 N ATOM 270 CZ ARG A 22 14.533 10.877 1.905 1.00 0.00 C ATOM 271 NH1 ARG A 22 15.260 9.943 2.502 1.00 0.00 N ATOM 272 NH2 ARG A 22 15.044 12.086 1.711 1.00 0.00 N ATOM 0 H ARG A 22 8.793 9.970 0.674 1.00 0.00 H new ATOM 0 HA ARG A 22 9.625 8.584 -1.732 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.831 8.622 -0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.102 10.215 -0.665 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.733 10.257 1.635 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.663 8.511 1.770 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.746 8.994 2.719 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.180 8.560 1.078 1.00 0.00 H new ATOM 0 HE ARG A 22 12.764 11.347 1.047 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.870 9.013 2.654 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.209 10.155 2.809 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.487 12.808 1.253 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.994 12.294 2.020 1.00 0.00 H new ATOM 286 N GLY A 23 8.641 6.931 0.772 1.00 0.00 N ATOM 287 CA GLY A 23 8.465 5.602 1.329 1.00 0.00 C ATOM 288 C GLY A 23 9.783 4.890 1.557 1.00 0.00 C ATOM 289 O GLY A 23 10.499 5.185 2.513 1.00 0.00 O ATOM 0 H GLY A 23 7.992 7.634 1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.927 5.676 2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.847 5.008 0.656 1.00 0.00 H new ATOM 293 N GLY A 24 10.104 3.946 0.677 1.00 0.00 N ATOM 294 CA GLY A 24 11.344 3.203 0.806 1.00 0.00 C ATOM 295 C GLY A 24 11.620 2.779 2.235 1.00 0.00 C ATOM 296 O GLY A 24 12.771 2.749 2.669 1.00 0.00 O ATOM 0 H GLY A 24 9.528 3.683 -0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.302 2.319 0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.170 3.816 0.446 1.00 0.00 H new ATOM 300 N GLU A 25 10.561 2.451 2.968 1.00 0.00 N ATOM 301 CA GLU A 25 10.695 2.029 4.357 1.00 0.00 C ATOM 302 C GLU A 25 10.112 0.634 4.561 1.00 0.00 C ATOM 303 O GLU A 25 9.480 0.077 3.664 1.00 0.00 O ATOM 304 CB GLU A 25 9.998 3.025 5.286 1.00 0.00 C ATOM 305 CG GLU A 25 10.842 4.247 5.612 1.00 0.00 C ATOM 306 CD GLU A 25 11.775 4.016 6.784 1.00 0.00 C ATOM 307 OE1 GLU A 25 12.897 3.517 6.561 1.00 0.00 O ATOM 308 OE2 GLU A 25 11.381 4.334 7.926 1.00 0.00 O ATOM 0 H GLU A 25 9.601 2.469 2.623 1.00 0.00 H new ATOM 0 HA GLU A 25 11.757 1.999 4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.066 3.350 4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.733 2.519 6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.428 4.524 4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.186 5.088 5.835 1.00 0.00 H new ATOM 315 N GLU A 26 10.330 0.075 5.747 1.00 0.00 N ATOM 316 CA GLU A 26 9.827 -1.256 6.068 1.00 0.00 C ATOM 317 C GLU A 26 8.362 -1.197 6.490 1.00 0.00 C ATOM 318 O GLU A 26 8.044 -0.831 7.622 1.00 0.00 O ATOM 319 CB GLU A 26 10.665 -1.887 7.182 1.00 0.00 C ATOM 320 CG GLU A 26 10.237 -3.300 7.539 1.00 0.00 C ATOM 321 CD GLU A 26 10.687 -3.713 8.928 1.00 0.00 C ATOM 322 OE1 GLU A 26 11.875 -4.064 9.085 1.00 0.00 O ATOM 323 OE2 GLU A 26 9.852 -3.685 9.855 1.00 0.00 O ATOM 0 H GLU A 26 10.851 0.522 6.501 1.00 0.00 H new ATOM 0 HA GLU A 26 9.904 -1.872 5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.711 -1.900 6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.601 -1.261 8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.151 -3.374 7.476 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.647 -3.996 6.807 1.00 0.00 H new ATOM 330 N LEU A 27 7.473 -1.560 5.571 1.00 0.00 N ATOM 331 CA LEU A 27 6.041 -1.548 5.846 1.00 0.00 C ATOM 332 C LEU A 27 5.514 -2.965 6.049 1.00 0.00 C ATOM 333 O LEU A 27 5.419 -3.745 5.102 1.00 0.00 O ATOM 334 CB LEU A 27 5.287 -0.871 4.700 1.00 0.00 C ATOM 335 CG LEU A 27 3.769 -0.777 4.858 1.00 0.00 C ATOM 336 CD1 LEU A 27 3.409 0.120 6.032 1.00 0.00 C ATOM 337 CD2 LEU A 27 3.130 -0.262 3.576 1.00 0.00 C ATOM 0 H LEU A 27 7.719 -1.866 4.630 1.00 0.00 H new ATOM 0 HA LEU A 27 5.877 -0.984 6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.682 0.137 4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.503 -1.413 3.779 1.00 0.00 H new ATOM 0 HG LEU A 27 3.381 -1.776 5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.325 0.175 6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.835 -0.291 6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.809 1.120 5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.050 -0.202 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.524 0.728 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.359 -0.943 2.756 1.00 0.00 H new ATOM 349 N VAL A 28 5.170 -3.290 7.291 1.00 0.00 N ATOM 350 CA VAL A 28 4.649 -4.612 7.619 1.00 0.00 C ATOM 351 C VAL A 28 3.137 -4.574 7.814 1.00 0.00 C ATOM 352 O VAL A 28 2.618 -3.751 8.569 1.00 0.00 O ATOM 353 CB VAL A 28 5.306 -5.174 8.894 1.00 0.00 C ATOM 354 CG1 VAL A 28 4.717 -6.532 9.244 1.00 0.00 C ATOM 355 CG2 VAL A 28 6.814 -5.266 8.720 1.00 0.00 C ATOM 0 H VAL A 28 5.243 -2.656 8.087 1.00 0.00 H new ATOM 0 HA VAL A 28 4.888 -5.264 6.779 1.00 0.00 H new ATOM 0 HB VAL A 28 5.100 -4.492 9.719 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.193 -6.913 10.147 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.645 -6.431 9.414 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.890 -7.226 8.422 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.262 -5.665 9.630 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.044 -5.926 7.883 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.219 -4.274 8.522 1.00 0.00 H new ATOM 365 N LEU A 29 2.436 -5.470 7.128 1.00 0.00 N ATOM 366 CA LEU A 29 0.982 -5.540 7.226 1.00 0.00 C ATOM 367 C LEU A 29 0.553 -6.651 8.179 1.00 0.00 C ATOM 368 O LEU A 29 1.070 -7.767 8.124 1.00 0.00 O ATOM 369 CB LEU A 29 0.369 -5.775 5.844 1.00 0.00 C ATOM 370 CG LEU A 29 0.676 -4.715 4.785 1.00 0.00 C ATOM 371 CD1 LEU A 29 0.380 -5.250 3.393 1.00 0.00 C ATOM 372 CD2 LEU A 29 -0.123 -3.447 5.053 1.00 0.00 C ATOM 0 H LEU A 29 2.850 -6.157 6.499 1.00 0.00 H new ATOM 0 HA LEU A 29 0.623 -4.589 7.620 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.715 -6.740 5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.713 -5.846 5.956 1.00 0.00 H new ATOM 0 HG LEU A 29 1.737 -4.470 4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.604 -4.482 2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.996 -6.129 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.673 -5.523 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.108 -2.704 4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.188 -3.676 5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.139 -3.053 6.035 1.00 0.00 H new ATOM 384 N THR A 30 -0.398 -6.338 9.054 1.00 0.00 N ATOM 385 CA THR A 30 -0.897 -7.309 10.020 1.00 0.00 C ATOM 386 C THR A 30 -2.260 -7.848 9.602 1.00 0.00 C ATOM 387 O THR A 30 -3.115 -7.102 9.125 1.00 0.00 O ATOM 388 CB THR A 30 -1.011 -6.694 11.427 1.00 0.00 C ATOM 389 OG1 THR A 30 0.229 -6.079 11.795 1.00 0.00 O ATOM 390 CG2 THR A 30 -1.380 -7.755 12.453 1.00 0.00 C ATOM 0 H THR A 30 -0.838 -5.420 9.113 1.00 0.00 H new ATOM 0 HA THR A 30 -0.177 -8.127 10.047 1.00 0.00 H new ATOM 0 HB THR A 30 -1.798 -5.940 11.407 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.148 -5.689 12.690 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.455 -7.297 13.439 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.338 -8.201 12.187 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.612 -8.528 12.469 1.00 0.00 H new ATOM 398 N GLY A 31 -2.458 -9.151 9.784 1.00 0.00 N ATOM 399 CA GLY A 31 -3.720 -9.768 9.421 1.00 0.00 C ATOM 400 C GLY A 31 -3.616 -11.275 9.304 1.00 0.00 C ATOM 401 O GLY A 31 -2.955 -11.924 10.115 1.00 0.00 O ATOM 0 H GLY A 31 -1.766 -9.790 10.176 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.472 -9.516 10.168 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.063 -9.356 8.472 1.00 0.00 H new ATOM 405 N SER A 32 -4.270 -11.835 8.291 1.00 0.00 N ATOM 406 CA SER A 32 -4.253 -13.277 8.074 1.00 0.00 C ATOM 407 C SER A 32 -4.812 -13.626 6.698 1.00 0.00 C ATOM 408 O SER A 32 -5.326 -12.763 5.988 1.00 0.00 O ATOM 409 CB SER A 32 -5.062 -13.988 9.161 1.00 0.00 C ATOM 410 OG SER A 32 -4.398 -13.930 10.411 1.00 0.00 O ATOM 0 H SER A 32 -4.818 -11.312 7.608 1.00 0.00 H new ATOM 0 HA SER A 32 -3.218 -13.614 8.123 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.046 -13.527 9.247 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.221 -15.029 8.878 1.00 0.00 H new ATOM 0 HG SER A 32 -3.566 -13.421 10.316 1.00 0.00 H new ATOM 416 N ASN A 33 -4.707 -14.898 6.328 1.00 0.00 N ATOM 417 CA ASN A 33 -5.201 -15.362 5.037 1.00 0.00 C ATOM 418 C ASN A 33 -4.470 -14.666 3.893 1.00 0.00 C ATOM 419 O ASN A 33 -5.096 -14.112 2.989 1.00 0.00 O ATOM 420 CB ASN A 33 -6.706 -15.112 4.924 1.00 0.00 C ATOM 421 CG ASN A 33 -7.522 -16.138 5.685 1.00 0.00 C ATOM 422 OD1 ASN A 33 -6.976 -16.956 6.426 1.00 0.00 O ATOM 423 ND2 ASN A 33 -8.837 -16.099 5.507 1.00 0.00 N ATOM 0 H ASN A 33 -4.284 -15.626 6.904 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.012 -16.433 4.967 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.935 -14.116 5.303 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.996 -15.128 3.873 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.438 -16.764 5.994 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.247 -15.404 4.883 1.00 0.00 H new ATOM 430 N PHE A 34 -3.143 -14.700 3.939 1.00 0.00 N ATOM 431 CA PHE A 34 -2.326 -14.073 2.906 1.00 0.00 C ATOM 432 C PHE A 34 -1.730 -15.121 1.972 1.00 0.00 C ATOM 433 O PHE A 34 -1.571 -16.284 2.346 1.00 0.00 O ATOM 434 CB PHE A 34 -1.207 -13.246 3.543 1.00 0.00 C ATOM 435 CG PHE A 34 -1.698 -12.013 4.246 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.605 -11.165 3.632 1.00 0.00 C ATOM 437 CD2 PHE A 34 -1.252 -11.701 5.520 1.00 0.00 C ATOM 438 CE1 PHE A 34 -3.060 -10.029 4.275 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.703 -10.567 6.169 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.607 -9.729 5.545 1.00 0.00 C ATOM 0 H PHE A 34 -2.610 -15.155 4.680 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.968 -13.414 2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.666 -13.869 4.255 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.496 -12.955 2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.961 -11.394 2.639 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.544 -12.351 6.012 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.768 -9.377 3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.349 -10.336 7.163 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.959 -8.841 6.049 1.00 0.00 H new ATOM 450 N LEU A 35 -1.403 -14.702 0.754 1.00 0.00 N ATOM 451 CA LEU A 35 -0.824 -15.605 -0.236 1.00 0.00 C ATOM 452 C LEU A 35 0.656 -15.304 -0.448 1.00 0.00 C ATOM 453 O LEU A 35 1.108 -14.166 -0.319 1.00 0.00 O ATOM 454 CB LEU A 35 -1.576 -15.486 -1.563 1.00 0.00 C ATOM 455 CG LEU A 35 -2.826 -16.355 -1.706 1.00 0.00 C ATOM 456 CD1 LEU A 35 -3.807 -15.722 -2.681 1.00 0.00 C ATOM 457 CD2 LEU A 35 -2.451 -17.758 -2.159 1.00 0.00 C ATOM 0 H LEU A 35 -1.529 -13.744 0.428 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.918 -16.624 0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.864 -14.444 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.889 -15.737 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.309 -16.427 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.690 -16.354 -2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.100 -14.738 -2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.334 -15.619 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.353 -18.362 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.944 -17.706 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.787 -18.212 -1.424 1.00 0.00 H new ATOM 469 N PRO A 36 1.430 -16.347 -0.782 1.00 0.00 N ATOM 470 CA PRO A 36 2.870 -16.219 -1.022 1.00 0.00 C ATOM 471 C PRO A 36 3.179 -15.453 -2.304 1.00 0.00 C ATOM 472 O PRO A 36 4.341 -15.212 -2.630 1.00 0.00 O ATOM 473 CB PRO A 36 3.341 -17.671 -1.140 1.00 0.00 C ATOM 474 CG PRO A 36 2.135 -18.425 -1.582 1.00 0.00 C ATOM 475 CD PRO A 36 0.958 -17.732 -0.952 1.00 0.00 C ATOM 0 HA PRO A 36 3.366 -15.658 -0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.154 -17.766 -1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.714 -18.045 -0.187 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.052 -18.425 -2.669 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.189 -19.467 -1.266 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.075 -17.780 -1.589 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.688 -18.185 0.002 1.00 0.00 H new ATOM 483 N ASP A 37 2.131 -15.074 -3.027 1.00 0.00 N ATOM 484 CA ASP A 37 2.291 -14.334 -4.274 1.00 0.00 C ATOM 485 C ASP A 37 1.328 -13.152 -4.331 1.00 0.00 C ATOM 486 O ASP A 37 1.089 -12.584 -5.396 1.00 0.00 O ATOM 487 CB ASP A 37 2.057 -15.255 -5.472 1.00 0.00 C ATOM 488 CG ASP A 37 0.617 -15.716 -5.577 1.00 0.00 C ATOM 489 OD1 ASP A 37 -0.203 -14.973 -6.157 1.00 0.00 O ATOM 490 OD2 ASP A 37 0.309 -16.819 -5.080 1.00 0.00 O ATOM 0 H ASP A 37 1.162 -15.267 -2.772 1.00 0.00 H new ATOM 0 HA ASP A 37 3.311 -13.952 -4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.336 -14.733 -6.387 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.709 -16.125 -5.390 1.00 0.00 H new ATOM 495 N SER A 38 0.778 -12.787 -3.177 1.00 0.00 N ATOM 496 CA SER A 38 -0.163 -11.676 -3.096 1.00 0.00 C ATOM 497 C SER A 38 0.415 -10.426 -3.752 1.00 0.00 C ATOM 498 O SER A 38 1.620 -10.335 -3.989 1.00 0.00 O ATOM 499 CB SER A 38 -0.515 -11.383 -1.636 1.00 0.00 C ATOM 500 OG SER A 38 -1.512 -12.272 -1.164 1.00 0.00 O ATOM 0 H SER A 38 0.968 -13.245 -2.285 1.00 0.00 H new ATOM 0 HA SER A 38 -1.069 -11.960 -3.631 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.379 -11.472 -1.018 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.866 -10.355 -1.542 1.00 0.00 H new ATOM 0 HG SER A 38 -1.944 -11.888 -0.372 1.00 0.00 H new ATOM 506 N LYS A 39 -0.452 -9.463 -4.044 1.00 0.00 N ATOM 507 CA LYS A 39 -0.031 -8.217 -4.672 1.00 0.00 C ATOM 508 C LYS A 39 -0.596 -7.013 -3.925 1.00 0.00 C ATOM 509 O LYS A 39 -1.690 -7.076 -3.363 1.00 0.00 O ATOM 510 CB LYS A 39 -0.480 -8.180 -6.134 1.00 0.00 C ATOM 511 CG LYS A 39 0.379 -9.029 -7.056 1.00 0.00 C ATOM 512 CD LYS A 39 1.506 -8.217 -7.671 1.00 0.00 C ATOM 513 CE LYS A 39 2.762 -8.269 -6.815 1.00 0.00 C ATOM 514 NZ LYS A 39 2.803 -7.160 -5.822 1.00 0.00 N ATOM 0 H LYS A 39 -1.453 -9.522 -3.855 1.00 0.00 H new ATOM 0 HA LYS A 39 1.057 -8.170 -4.632 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.513 -8.522 -6.197 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.464 -7.148 -6.484 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.796 -9.867 -6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.241 -9.450 -7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.728 -8.598 -8.668 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.187 -7.181 -7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.807 -9.225 -6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.641 -8.214 -7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.620 -6.547 -6.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.928 -6.602 -5.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.890 -7.555 -4.864 1.00 0.00 H new ATOM 528 N VAL A 40 0.155 -5.916 -3.924 1.00 0.00 N ATOM 529 CA VAL A 40 -0.273 -4.697 -3.249 1.00 0.00 C ATOM 530 C VAL A 40 -0.165 -3.490 -4.174 1.00 0.00 C ATOM 531 O VAL A 40 0.916 -3.163 -4.662 1.00 0.00 O ATOM 532 CB VAL A 40 0.562 -4.435 -1.981 1.00 0.00 C ATOM 533 CG1 VAL A 40 0.090 -3.168 -1.283 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.492 -5.629 -1.041 1.00 0.00 C ATOM 0 H VAL A 40 1.063 -5.847 -4.383 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.315 -4.841 -2.965 1.00 0.00 H new ATOM 0 HB VAL A 40 1.602 -4.293 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.691 -2.999 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.197 -2.319 -1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.957 -3.277 -1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.087 -5.427 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.544 -5.804 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.883 -6.513 -1.546 1.00 0.00 H new ATOM 544 N VAL A 41 -1.295 -2.829 -4.410 1.00 0.00 N ATOM 545 CA VAL A 41 -1.328 -1.656 -5.275 1.00 0.00 C ATOM 546 C VAL A 41 -2.020 -0.485 -4.587 1.00 0.00 C ATOM 547 O VAL A 41 -2.911 -0.676 -3.759 1.00 0.00 O ATOM 548 CB VAL A 41 -2.050 -1.958 -6.602 1.00 0.00 C ATOM 549 CG1 VAL A 41 -1.625 -3.313 -7.145 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.558 -1.899 -6.412 1.00 0.00 C ATOM 0 H VAL A 41 -2.199 -3.086 -4.014 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.293 -1.389 -5.486 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.768 -1.198 -7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.145 -3.509 -8.083 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.549 -3.314 -7.320 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.875 -4.089 -6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.053 -2.115 -7.359 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.860 -2.637 -5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.843 -0.903 -6.072 1.00 0.00 H new ATOM 560 N PHE A 42 -1.604 0.728 -4.935 1.00 0.00 N ATOM 561 CA PHE A 42 -2.184 1.932 -4.350 1.00 0.00 C ATOM 562 C PHE A 42 -3.148 2.600 -5.326 1.00 0.00 C ATOM 563 O PHE A 42 -3.179 2.267 -6.511 1.00 0.00 O ATOM 564 CB PHE A 42 -1.080 2.914 -3.953 1.00 0.00 C ATOM 565 CG PHE A 42 -0.156 2.381 -2.895 1.00 0.00 C ATOM 566 CD1 PHE A 42 0.596 1.240 -3.125 1.00 0.00 C ATOM 567 CD2 PHE A 42 -0.039 3.022 -1.673 1.00 0.00 C ATOM 568 CE1 PHE A 42 1.446 0.747 -2.153 1.00 0.00 C ATOM 569 CE2 PHE A 42 0.811 2.534 -0.697 1.00 0.00 C ATOM 570 CZ PHE A 42 1.555 1.396 -0.938 1.00 0.00 C ATOM 0 H PHE A 42 -0.868 0.904 -5.619 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.740 1.642 -3.459 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.497 3.170 -4.838 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.537 3.836 -3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.517 0.730 -4.074 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.618 3.913 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.025 -0.145 -2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.893 3.042 0.252 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.221 1.014 -0.178 1.00 0.00 H new ATOM 580 N ILE A 43 -3.934 3.544 -4.819 1.00 0.00 N ATOM 581 CA ILE A 43 -4.898 4.260 -5.645 1.00 0.00 C ATOM 582 C ILE A 43 -4.937 5.742 -5.287 1.00 0.00 C ATOM 583 O ILE A 43 -4.635 6.124 -4.157 1.00 0.00 O ATOM 584 CB ILE A 43 -6.313 3.670 -5.497 1.00 0.00 C ATOM 585 CG1 ILE A 43 -6.861 3.948 -4.096 1.00 0.00 C ATOM 586 CG2 ILE A 43 -6.296 2.176 -5.779 1.00 0.00 C ATOM 587 CD1 ILE A 43 -8.369 3.870 -4.010 1.00 0.00 C ATOM 0 H ILE A 43 -3.922 3.831 -3.840 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.572 4.148 -6.679 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.969 4.149 -6.224 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.428 3.233 -3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.538 4.939 -3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.303 1.774 -5.670 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.943 2.002 -6.796 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.629 1.680 -5.074 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.686 4.078 -2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.810 4.604 -4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.699 2.871 -4.296 1.00 0.00 H new ATOM 599 N GLU A 44 -5.312 6.570 -6.256 1.00 0.00 N ATOM 600 CA GLU A 44 -5.391 8.010 -6.041 1.00 0.00 C ATOM 601 C GLU A 44 -6.607 8.600 -6.750 1.00 0.00 C ATOM 602 O GLU A 44 -6.902 8.252 -7.893 1.00 0.00 O ATOM 603 CB GLU A 44 -4.116 8.694 -6.540 1.00 0.00 C ATOM 604 CG GLU A 44 -4.171 10.210 -6.471 1.00 0.00 C ATOM 605 CD GLU A 44 -3.324 10.874 -7.539 1.00 0.00 C ATOM 606 OE1 GLU A 44 -2.282 10.296 -7.913 1.00 0.00 O ATOM 607 OE2 GLU A 44 -3.702 11.972 -8.000 1.00 0.00 O ATOM 0 H GLU A 44 -5.566 6.269 -7.197 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.494 8.186 -4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.270 8.342 -5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.932 8.392 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.205 10.537 -6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.832 10.538 -5.488 1.00 0.00 H new ATOM 614 N ARG A 45 -7.310 9.494 -6.061 1.00 0.00 N ATOM 615 CA ARG A 45 -8.495 10.131 -6.623 1.00 0.00 C ATOM 616 C ARG A 45 -8.149 11.491 -7.222 1.00 0.00 C ATOM 617 O ARG A 45 -7.412 12.275 -6.624 1.00 0.00 O ATOM 618 CB ARG A 45 -9.570 10.294 -5.547 1.00 0.00 C ATOM 619 CG ARG A 45 -10.071 8.975 -4.982 1.00 0.00 C ATOM 620 CD ARG A 45 -9.164 8.464 -3.873 1.00 0.00 C ATOM 621 NE ARG A 45 -9.262 9.279 -2.666 1.00 0.00 N ATOM 622 CZ ARG A 45 -8.317 9.331 -1.734 1.00 0.00 C ATOM 623 NH1 ARG A 45 -7.207 8.618 -1.872 1.00 0.00 N ATOM 624 NH2 ARG A 45 -8.480 10.097 -0.663 1.00 0.00 N ATOM 0 H ARG A 45 -7.079 9.793 -5.114 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.879 9.491 -7.417 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.169 10.899 -4.734 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.413 10.843 -5.967 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.082 9.104 -4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.126 8.234 -5.779 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.427 7.433 -3.636 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.132 8.458 -4.223 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.103 9.840 -2.531 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.078 8.029 -2.695 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.482 8.659 -1.156 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.332 10.647 -0.554 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.753 10.136 0.052 1.00 0.00 H new ATOM 638 N GLY A 46 -8.686 11.764 -8.407 1.00 0.00 N ATOM 639 CA GLY A 46 -8.422 13.029 -9.067 1.00 0.00 C ATOM 640 C GLY A 46 -9.607 13.973 -9.007 1.00 0.00 C ATOM 641 O GLY A 46 -10.712 13.592 -8.619 1.00 0.00 O ATOM 0 H GLY A 46 -9.299 11.132 -8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.559 13.505 -8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.161 12.844 -10.109 1.00 0.00 H new ATOM 645 N PRO A 47 -9.383 15.237 -9.397 1.00 0.00 N ATOM 646 CA PRO A 47 -10.429 16.264 -9.393 1.00 0.00 C ATOM 647 C PRO A 47 -11.486 16.018 -10.464 1.00 0.00 C ATOM 648 O PRO A 47 -12.417 16.807 -10.624 1.00 0.00 O ATOM 649 CB PRO A 47 -9.660 17.554 -9.688 1.00 0.00 C ATOM 650 CG PRO A 47 -8.445 17.111 -10.428 1.00 0.00 C ATOM 651 CD PRO A 47 -8.091 15.760 -9.871 1.00 0.00 C ATOM 0 HA PRO A 47 -10.977 16.284 -8.451 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.257 18.243 -10.285 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.395 18.076 -8.768 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.640 17.053 -11.499 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.626 17.817 -10.291 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.651 15.115 -10.631 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.367 15.837 -9.060 1.00 0.00 H new ATOM 659 N ASP A 48 -11.336 14.919 -11.195 1.00 0.00 N ATOM 660 CA ASP A 48 -12.280 14.568 -12.251 1.00 0.00 C ATOM 661 C ASP A 48 -13.409 13.701 -11.704 1.00 0.00 C ATOM 662 O ASP A 48 -14.549 13.788 -12.160 1.00 0.00 O ATOM 663 CB ASP A 48 -11.560 13.835 -13.384 1.00 0.00 C ATOM 664 CG ASP A 48 -10.986 14.785 -14.416 1.00 0.00 C ATOM 665 OD1 ASP A 48 -11.756 15.266 -15.273 1.00 0.00 O ATOM 666 OD2 ASP A 48 -9.766 15.048 -14.366 1.00 0.00 O ATOM 0 H ASP A 48 -10.570 14.256 -11.076 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.711 15.490 -12.641 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.757 13.228 -12.967 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.256 13.152 -13.871 1.00 0.00 H new ATOM 671 N GLY A 49 -13.085 12.864 -10.723 1.00 0.00 N ATOM 672 CA GLY A 49 -14.083 11.993 -10.131 1.00 0.00 C ATOM 673 C GLY A 49 -13.618 10.552 -10.046 1.00 0.00 C ATOM 674 O GLY A 49 -13.921 9.849 -9.082 1.00 0.00 O ATOM 0 H GLY A 49 -12.149 12.774 -10.328 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.327 12.352 -9.131 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.999 12.042 -10.720 1.00 0.00 H new ATOM 678 N LYS A 50 -12.882 10.110 -11.060 1.00 0.00 N ATOM 679 CA LYS A 50 -12.374 8.743 -11.098 1.00 0.00 C ATOM 680 C LYS A 50 -10.917 8.692 -10.651 1.00 0.00 C ATOM 681 O LYS A 50 -10.167 9.653 -10.830 1.00 0.00 O ATOM 682 CB LYS A 50 -12.506 8.167 -12.510 1.00 0.00 C ATOM 683 CG LYS A 50 -11.897 9.049 -13.586 1.00 0.00 C ATOM 684 CD LYS A 50 -11.723 8.294 -14.893 1.00 0.00 C ATOM 685 CE LYS A 50 -13.023 8.235 -15.680 1.00 0.00 C ATOM 686 NZ LYS A 50 -12.834 7.605 -17.016 1.00 0.00 N ATOM 0 H LYS A 50 -12.624 10.678 -11.867 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.968 8.142 -10.410 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -12.027 7.188 -12.540 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.562 8.012 -12.733 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.534 9.918 -13.749 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.930 9.421 -13.248 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.954 8.778 -15.495 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.375 7.282 -14.686 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.765 7.671 -15.114 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.417 9.243 -15.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.743 7.583 -17.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.145 8.157 -17.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.482 6.634 -16.895 1.00 0.00 H new ATOM 700 N LEU A 51 -10.520 7.564 -10.070 1.00 0.00 N ATOM 701 CA LEU A 51 -9.151 7.387 -9.599 1.00 0.00 C ATOM 702 C LEU A 51 -8.344 6.540 -10.578 1.00 0.00 C ATOM 703 O LEU A 51 -8.831 5.531 -11.088 1.00 0.00 O ATOM 704 CB LEU A 51 -9.148 6.732 -8.217 1.00 0.00 C ATOM 705 CG LEU A 51 -10.114 5.563 -8.025 1.00 0.00 C ATOM 706 CD1 LEU A 51 -9.729 4.399 -8.926 1.00 0.00 C ATOM 707 CD2 LEU A 51 -10.140 5.125 -6.568 1.00 0.00 C ATOM 0 H LEU A 51 -11.127 6.759 -9.914 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.686 8.370 -9.529 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.138 6.381 -8.006 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.381 7.495 -7.475 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.115 5.895 -8.301 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.428 3.576 -8.776 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.763 4.718 -9.968 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.720 4.068 -8.681 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.833 4.292 -6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.141 4.811 -6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.464 5.957 -5.944 1.00 0.00 H new ATOM 719 N GLN A 52 -7.108 6.956 -10.833 1.00 0.00 N ATOM 720 CA GLN A 52 -6.233 6.234 -11.749 1.00 0.00 C ATOM 721 C GLN A 52 -4.768 6.441 -11.380 1.00 0.00 C ATOM 722 O GLN A 52 -4.202 7.508 -11.620 1.00 0.00 O ATOM 723 CB GLN A 52 -6.478 6.691 -13.188 1.00 0.00 C ATOM 724 CG GLN A 52 -7.872 6.367 -13.700 1.00 0.00 C ATOM 725 CD GLN A 52 -7.993 6.523 -15.203 1.00 0.00 C ATOM 726 OE1 GLN A 52 -7.379 7.410 -15.798 1.00 0.00 O ATOM 727 NE2 GLN A 52 -8.786 5.660 -15.827 1.00 0.00 N ATOM 0 H GLN A 52 -6.690 7.789 -10.418 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.462 5.171 -11.668 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.318 7.767 -13.251 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.742 6.221 -13.840 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.128 5.344 -13.423 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.595 7.020 -13.211 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.276 4.941 -15.295 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.905 5.716 -16.838 1.00 0.00 H new ATOM 736 N TRP A 53 -4.160 5.416 -10.795 1.00 0.00 N ATOM 737 CA TRP A 53 -2.760 5.486 -10.392 1.00 0.00 C ATOM 738 C TRP A 53 -2.119 4.103 -10.407 1.00 0.00 C ATOM 739 O TRP A 53 -2.434 3.254 -9.574 1.00 0.00 O ATOM 740 CB TRP A 53 -2.640 6.102 -8.997 1.00 0.00 C ATOM 741 CG TRP A 53 -1.226 6.402 -8.600 1.00 0.00 C ATOM 742 CD1 TRP A 53 -0.222 6.843 -9.414 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.660 6.282 -7.290 1.00 0.00 C ATOM 744 NE1 TRP A 53 0.934 7.004 -8.690 1.00 0.00 N ATOM 745 CE2 TRP A 53 0.692 6.667 -7.384 1.00 0.00 C ATOM 746 CE3 TRP A 53 -1.163 5.888 -6.048 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.544 6.667 -6.283 1.00 0.00 C ATOM 748 CZ3 TRP A 53 -0.316 5.889 -4.955 1.00 0.00 C ATOM 749 CH2 TRP A 53 1.025 6.277 -5.078 1.00 0.00 C ATOM 0 H TRP A 53 -4.614 4.526 -10.589 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.233 6.118 -11.107 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.223 7.023 -8.963 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -3.078 5.420 -8.268 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.322 7.037 -10.472 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.828 7.323 -9.064 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.195 5.588 -5.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.578 6.964 -6.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.694 5.586 -3.990 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.661 6.268 -4.205 1.00 0.00 H new ATOM 760 N GLU A 54 -1.218 3.883 -11.360 1.00 0.00 N ATOM 761 CA GLU A 54 -0.534 2.601 -11.482 1.00 0.00 C ATOM 762 C GLU A 54 0.843 2.655 -10.827 1.00 0.00 C ATOM 763 O GLU A 54 1.792 3.193 -11.396 1.00 0.00 O ATOM 764 CB GLU A 54 -0.395 2.211 -12.955 1.00 0.00 C ATOM 765 CG GLU A 54 0.051 0.774 -13.164 1.00 0.00 C ATOM 766 CD GLU A 54 0.099 0.385 -14.629 1.00 0.00 C ATOM 767 OE1 GLU A 54 -0.860 0.707 -15.361 1.00 0.00 O ATOM 768 OE2 GLU A 54 1.098 -0.240 -15.044 1.00 0.00 O ATOM 0 H GLU A 54 -0.945 4.575 -12.058 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.132 1.848 -10.969 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.352 2.362 -13.454 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.322 2.878 -13.433 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.038 0.636 -12.723 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.630 0.106 -12.637 1.00 0.00 H new ATOM 775 N GLU A 55 0.943 2.093 -9.626 1.00 0.00 N ATOM 776 CA GLU A 55 2.203 2.078 -8.893 1.00 0.00 C ATOM 777 C GLU A 55 2.367 0.773 -8.118 1.00 0.00 C ATOM 778 O GLU A 55 1.674 0.537 -7.129 1.00 0.00 O ATOM 779 CB GLU A 55 2.274 3.267 -7.932 1.00 0.00 C ATOM 780 CG GLU A 55 2.882 4.514 -8.552 1.00 0.00 C ATOM 781 CD GLU A 55 4.363 4.361 -8.839 1.00 0.00 C ATOM 782 OE1 GLU A 55 5.142 4.209 -7.875 1.00 0.00 O ATOM 783 OE2 GLU A 55 4.742 4.393 -10.029 1.00 0.00 O ATOM 0 H GLU A 55 0.167 1.643 -9.141 1.00 0.00 H new ATOM 0 HA GLU A 55 3.015 2.155 -9.616 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.269 3.499 -7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.860 2.983 -7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.358 4.746 -9.479 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.731 5.359 -7.881 1.00 0.00 H new ATOM 790 N GLU A 56 3.287 -0.069 -8.576 1.00 0.00 N ATOM 791 CA GLU A 56 3.540 -1.350 -7.926 1.00 0.00 C ATOM 792 C GLU A 56 4.542 -1.193 -6.786 1.00 0.00 C ATOM 793 O GLU A 56 5.531 -0.471 -6.909 1.00 0.00 O ATOM 794 CB GLU A 56 4.063 -2.368 -8.942 1.00 0.00 C ATOM 795 CG GLU A 56 3.724 -3.807 -8.592 1.00 0.00 C ATOM 796 CD GLU A 56 2.393 -4.250 -9.167 1.00 0.00 C ATOM 797 OE1 GLU A 56 2.330 -4.502 -10.389 1.00 0.00 O ATOM 798 OE2 GLU A 56 1.415 -4.344 -8.397 1.00 0.00 O ATOM 0 H GLU A 56 3.869 0.112 -9.394 1.00 0.00 H new ATOM 0 HA GLU A 56 2.598 -1.711 -7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.650 -2.135 -9.923 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.146 -2.267 -9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.512 -4.462 -8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.702 -3.918 -7.508 1.00 0.00 H new ATOM 805 N ALA A 57 4.277 -1.874 -5.676 1.00 0.00 N ATOM 806 CA ALA A 57 5.155 -1.813 -4.514 1.00 0.00 C ATOM 807 C ALA A 57 5.993 -3.080 -4.391 1.00 0.00 C ATOM 808 O ALA A 57 5.480 -4.192 -4.519 1.00 0.00 O ATOM 809 CB ALA A 57 4.340 -1.592 -3.248 1.00 0.00 C ATOM 0 H ALA A 57 3.461 -2.474 -5.557 1.00 0.00 H new ATOM 0 HA ALA A 57 5.835 -0.971 -4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.008 -1.548 -2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.790 -0.654 -3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.637 -2.415 -3.120 1.00 0.00 H new ATOM 815 N THR A 58 7.288 -2.906 -4.144 1.00 0.00 N ATOM 816 CA THR A 58 8.198 -4.036 -4.006 1.00 0.00 C ATOM 817 C THR A 58 7.889 -4.841 -2.749 1.00 0.00 C ATOM 818 O THR A 58 8.069 -4.359 -1.631 1.00 0.00 O ATOM 819 CB THR A 58 9.666 -3.572 -3.957 1.00 0.00 C ATOM 820 OG1 THR A 58 9.999 -2.870 -5.159 1.00 0.00 O ATOM 821 CG2 THR A 58 10.603 -4.757 -3.780 1.00 0.00 C ATOM 0 H THR A 58 7.730 -1.993 -4.035 1.00 0.00 H new ATOM 0 HA THR A 58 8.053 -4.667 -4.883 1.00 0.00 H new ATOM 0 HB THR A 58 9.784 -2.905 -3.103 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.933 -2.577 -5.119 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.634 -4.404 -3.748 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.367 -5.272 -2.849 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.481 -5.446 -4.616 1.00 0.00 H new ATOM 829 N VAL A 59 7.423 -6.071 -2.939 1.00 0.00 N ATOM 830 CA VAL A 59 7.091 -6.945 -1.820 1.00 0.00 C ATOM 831 C VAL A 59 8.275 -7.826 -1.440 1.00 0.00 C ATOM 832 O VAL A 59 9.065 -8.225 -2.295 1.00 0.00 O ATOM 833 CB VAL A 59 5.882 -7.841 -2.148 1.00 0.00 C ATOM 834 CG1 VAL A 59 5.573 -8.768 -0.982 1.00 0.00 C ATOM 835 CG2 VAL A 59 4.670 -6.992 -2.500 1.00 0.00 C ATOM 0 H VAL A 59 7.267 -6.485 -3.858 1.00 0.00 H new ATOM 0 HA VAL A 59 6.838 -6.300 -0.979 1.00 0.00 H new ATOM 0 HB VAL A 59 6.131 -8.455 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.716 -9.394 -1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.438 -9.401 -0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.344 -8.175 -0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.825 -7.641 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.417 -6.351 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.898 -6.374 -3.368 1.00 0.00 H new ATOM 845 N ASN A 60 8.392 -8.128 -0.151 1.00 0.00 N ATOM 846 CA ASN A 60 9.481 -8.963 0.343 1.00 0.00 C ATOM 847 C ASN A 60 8.950 -10.292 0.873 1.00 0.00 C ATOM 848 O ASN A 60 8.546 -10.393 2.031 1.00 0.00 O ATOM 849 CB ASN A 60 10.252 -8.234 1.445 1.00 0.00 C ATOM 850 CG ASN A 60 11.593 -8.879 1.736 1.00 0.00 C ATOM 851 OD1 ASN A 60 12.158 -9.571 0.890 1.00 0.00 O ATOM 852 ND2 ASN A 60 12.107 -8.655 2.940 1.00 0.00 N ATOM 0 H ASN A 60 7.746 -7.807 0.570 1.00 0.00 H new ATOM 0 HA ASN A 60 10.155 -9.166 -0.489 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.407 -7.196 1.150 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.653 -8.220 2.356 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.006 -9.064 3.195 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.603 -8.074 3.610 1.00 0.00 H new ATOM 859 N ARG A 61 8.954 -11.308 0.017 1.00 0.00 N ATOM 860 CA ARG A 61 8.472 -12.631 0.398 1.00 0.00 C ATOM 861 C ARG A 61 9.414 -13.282 1.406 1.00 0.00 C ATOM 862 O ARG A 61 9.001 -14.127 2.201 1.00 0.00 O ATOM 863 CB ARG A 61 8.334 -13.522 -0.837 1.00 0.00 C ATOM 864 CG ARG A 61 6.958 -13.463 -1.480 1.00 0.00 C ATOM 865 CD ARG A 61 6.875 -12.355 -2.519 1.00 0.00 C ATOM 866 NE ARG A 61 7.335 -12.800 -3.831 1.00 0.00 N ATOM 867 CZ ARG A 61 8.571 -12.615 -4.279 1.00 0.00 C ATOM 868 NH1 ARG A 61 9.468 -11.996 -3.523 1.00 0.00 N ATOM 869 NH2 ARG A 61 8.914 -13.048 -5.485 1.00 0.00 N ATOM 0 H ARG A 61 9.286 -11.241 -0.945 1.00 0.00 H new ATOM 0 HA ARG A 61 7.493 -12.514 0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.082 -13.227 -1.573 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.551 -14.553 -0.557 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.733 -14.421 -1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.203 -13.300 -0.711 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.845 -12.006 -2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.476 -11.506 -2.193 1.00 0.00 H new ATOM 0 HE ARG A 61 6.670 -13.280 -4.437 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.209 -11.661 -2.595 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.417 -11.855 -3.869 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.228 -13.524 -6.070 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.864 -12.905 -5.827 1.00 0.00 H new ATOM 883 N LEU A 62 10.681 -12.885 1.367 1.00 0.00 N ATOM 884 CA LEU A 62 11.682 -13.430 2.276 1.00 0.00 C ATOM 885 C LEU A 62 11.264 -13.231 3.730 1.00 0.00 C ATOM 886 O LEU A 62 11.435 -14.121 4.562 1.00 0.00 O ATOM 887 CB LEU A 62 13.039 -12.768 2.029 1.00 0.00 C ATOM 888 CG LEU A 62 13.899 -13.391 0.929 1.00 0.00 C ATOM 889 CD1 LEU A 62 15.070 -12.482 0.587 1.00 0.00 C ATOM 890 CD2 LEU A 62 14.394 -14.766 1.353 1.00 0.00 C ATOM 0 H LEU A 62 11.039 -12.187 0.715 1.00 0.00 H new ATOM 0 HA LEU A 62 11.766 -14.500 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.870 -11.720 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.605 -12.788 2.960 1.00 0.00 H new ATOM 0 HG LEU A 62 13.284 -13.508 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.671 -12.942 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.694 -11.520 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.685 -12.332 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.004 -15.194 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 62 14.992 -14.674 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.541 -15.416 1.546 1.00 0.00 H new ATOM 902 N GLN A 63 10.714 -12.058 4.026 1.00 0.00 N ATOM 903 CA GLN A 63 10.270 -11.743 5.379 1.00 0.00 C ATOM 904 C GLN A 63 8.748 -11.668 5.449 1.00 0.00 C ATOM 905 O GLN A 63 8.190 -10.884 6.216 1.00 0.00 O ATOM 906 CB GLN A 63 10.879 -10.419 5.843 1.00 0.00 C ATOM 907 CG GLN A 63 12.352 -10.521 6.205 1.00 0.00 C ATOM 908 CD GLN A 63 12.573 -11.058 7.606 1.00 0.00 C ATOM 909 OE1 GLN A 63 12.352 -12.240 7.872 1.00 0.00 O ATOM 910 NE2 GLN A 63 13.012 -10.191 8.510 1.00 0.00 N ATOM 0 H GLN A 63 10.565 -11.311 3.348 1.00 0.00 H new ATOM 0 HA GLN A 63 10.607 -12.541 6.040 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.758 -9.677 5.054 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.325 -10.057 6.709 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.854 -11.170 5.488 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.812 -9.536 6.121 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.182 -9.221 8.246 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.180 -10.495 9.469 1.00 0.00 H new ATOM 919 N SER A 64 8.083 -12.489 4.642 1.00 0.00 N ATOM 920 CA SER A 64 6.625 -12.512 4.610 1.00 0.00 C ATOM 921 C SER A 64 6.092 -13.856 5.099 1.00 0.00 C ATOM 922 O SER A 64 6.637 -14.909 4.771 1.00 0.00 O ATOM 923 CB SER A 64 6.121 -12.237 3.191 1.00 0.00 C ATOM 924 OG SER A 64 4.811 -11.697 3.211 1.00 0.00 O ATOM 0 H SER A 64 8.530 -13.146 4.003 1.00 0.00 H new ATOM 0 HA SER A 64 6.259 -11.731 5.276 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.796 -11.543 2.690 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.128 -13.162 2.614 1.00 0.00 H new ATOM 0 HG SER A 64 4.379 -11.919 4.062 1.00 0.00 H new ATOM 930 N ASN A 65 5.023 -13.809 5.887 1.00 0.00 N ATOM 931 CA ASN A 65 4.416 -15.022 6.424 1.00 0.00 C ATOM 932 C ASN A 65 2.948 -15.121 6.019 1.00 0.00 C ATOM 933 O ASN A 65 2.427 -14.251 5.321 1.00 0.00 O ATOM 934 CB ASN A 65 4.539 -15.048 7.948 1.00 0.00 C ATOM 935 CG ASN A 65 5.821 -15.709 8.414 1.00 0.00 C ATOM 936 OD1 ASN A 65 6.716 -15.986 7.615 1.00 0.00 O ATOM 937 ND2 ASN A 65 5.916 -15.966 9.713 1.00 0.00 N ATOM 0 H ASN A 65 4.559 -12.945 6.168 1.00 0.00 H new ATOM 0 HA ASN A 65 4.948 -15.878 6.009 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.500 -14.028 8.330 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.686 -15.579 8.369 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.755 -16.410 10.085 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.150 -15.719 10.339 1.00 0.00 H new ATOM 944 N GLU A 66 2.288 -16.186 6.462 1.00 0.00 N ATOM 945 CA GLU A 66 0.880 -16.397 6.146 1.00 0.00 C ATOM 946 C GLU A 66 -0.006 -15.441 6.940 1.00 0.00 C ATOM 947 O GLU A 66 -1.213 -15.364 6.714 1.00 0.00 O ATOM 948 CB GLU A 66 0.480 -17.844 6.441 1.00 0.00 C ATOM 949 CG GLU A 66 -0.864 -18.237 5.850 1.00 0.00 C ATOM 950 CD GLU A 66 -1.048 -19.740 5.769 1.00 0.00 C ATOM 951 OE1 GLU A 66 -0.135 -20.422 5.259 1.00 0.00 O ATOM 952 OE2 GLU A 66 -2.105 -20.233 6.215 1.00 0.00 O ATOM 0 H GLU A 66 2.705 -16.916 7.040 1.00 0.00 H new ATOM 0 HA GLU A 66 0.739 -16.197 5.084 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.248 -18.511 6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.449 -17.991 7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.662 -17.809 6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.957 -17.809 4.852 1.00 0.00 H new ATOM 959 N VAL A 67 0.604 -14.714 7.870 1.00 0.00 N ATOM 960 CA VAL A 67 -0.128 -13.762 8.698 1.00 0.00 C ATOM 961 C VAL A 67 0.538 -12.391 8.678 1.00 0.00 C ATOM 962 O VAL A 67 0.048 -11.440 9.288 1.00 0.00 O ATOM 963 CB VAL A 67 -0.232 -14.249 10.155 1.00 0.00 C ATOM 964 CG1 VAL A 67 -1.101 -15.495 10.241 1.00 0.00 C ATOM 965 CG2 VAL A 67 1.152 -14.514 10.728 1.00 0.00 C ATOM 0 H VAL A 67 1.603 -14.766 8.069 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.130 -13.682 8.277 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.702 -13.465 10.749 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.163 -15.825 11.278 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.101 -15.267 9.872 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.662 -16.287 9.634 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.060 -14.857 11.758 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.651 -15.279 10.134 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.738 -13.595 10.703 1.00 0.00 H new ATOM 975 N THR A 68 1.661 -12.294 7.972 1.00 0.00 N ATOM 976 CA THR A 68 2.396 -11.040 7.873 1.00 0.00 C ATOM 977 C THR A 68 2.841 -10.775 6.440 1.00 0.00 C ATOM 978 O THR A 68 3.158 -11.704 5.695 1.00 0.00 O ATOM 979 CB THR A 68 3.633 -11.039 8.791 1.00 0.00 C ATOM 980 OG1 THR A 68 3.228 -11.157 10.159 1.00 0.00 O ATOM 981 CG2 THR A 68 4.445 -9.767 8.604 1.00 0.00 C ATOM 0 H THR A 68 2.081 -13.070 7.460 1.00 0.00 H new ATOM 0 HA THR A 68 1.716 -10.250 8.191 1.00 0.00 H new ATOM 0 HB THR A 68 4.257 -11.891 8.523 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.020 -11.157 10.736 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.313 -9.789 9.263 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.777 -9.696 7.568 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.828 -8.902 8.847 1.00 0.00 H new ATOM 989 N LEU A 69 2.863 -9.503 6.057 1.00 0.00 N ATOM 990 CA LEU A 69 3.270 -9.115 4.711 1.00 0.00 C ATOM 991 C LEU A 69 4.207 -7.912 4.751 1.00 0.00 C ATOM 992 O LEU A 69 3.786 -6.793 5.048 1.00 0.00 O ATOM 993 CB LEU A 69 2.042 -8.792 3.859 1.00 0.00 C ATOM 994 CG LEU A 69 1.433 -9.963 3.087 1.00 0.00 C ATOM 995 CD1 LEU A 69 0.135 -9.542 2.415 1.00 0.00 C ATOM 996 CD2 LEU A 69 2.420 -10.496 2.059 1.00 0.00 C ATOM 0 H LEU A 69 2.604 -8.722 6.660 1.00 0.00 H new ATOM 0 HA LEU A 69 3.804 -9.953 4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.274 -8.373 4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.314 -8.015 3.145 1.00 0.00 H new ATOM 0 HG LEU A 69 1.210 -10.762 3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.284 -10.388 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.576 -9.210 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.333 -8.726 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.969 -11.329 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.676 -9.704 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.323 -10.838 2.565 1.00 0.00 H new ATOM 1008 N THR A 70 5.479 -8.149 4.447 1.00 0.00 N ATOM 1009 CA THR A 70 6.476 -7.085 4.447 1.00 0.00 C ATOM 1010 C THR A 70 6.723 -6.564 3.036 1.00 0.00 C ATOM 1011 O THR A 70 7.198 -7.296 2.167 1.00 0.00 O ATOM 1012 CB THR A 70 7.811 -7.566 5.046 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.606 -8.039 6.382 1.00 0.00 O ATOM 1014 CG2 THR A 70 8.837 -6.443 5.051 1.00 0.00 C ATOM 0 H THR A 70 5.843 -9.068 4.198 1.00 0.00 H new ATOM 0 HA THR A 70 6.079 -6.279 5.065 1.00 0.00 H new ATOM 0 HB THR A 70 8.190 -8.380 4.428 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.781 -9.002 6.418 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.772 -6.806 5.478 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.012 -6.106 4.029 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.463 -5.612 5.649 1.00 0.00 H new ATOM 1022 N LEU A 71 6.400 -5.295 2.815 1.00 0.00 N ATOM 1023 CA LEU A 71 6.588 -4.674 1.508 1.00 0.00 C ATOM 1024 C LEU A 71 7.257 -3.311 1.644 1.00 0.00 C ATOM 1025 O LEU A 71 7.415 -2.791 2.749 1.00 0.00 O ATOM 1026 CB LEU A 71 5.243 -4.526 0.793 1.00 0.00 C ATOM 1027 CG LEU A 71 4.385 -3.334 1.219 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.385 -2.981 0.129 1.00 0.00 C ATOM 1029 CD2 LEU A 71 3.667 -3.634 2.527 1.00 0.00 C ATOM 0 H LEU A 71 6.007 -4.676 3.523 1.00 0.00 H new ATOM 0 HA LEU A 71 7.238 -5.319 0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.430 -4.449 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.667 -5.438 0.952 1.00 0.00 H new ATOM 0 HG LEU A 71 5.039 -2.477 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.783 -2.131 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.919 -2.723 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.735 -3.836 -0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.061 -2.775 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.024 -4.504 2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.401 -3.838 3.307 1.00 0.00 H new ATOM 1041 N THR A 72 7.648 -2.733 0.512 1.00 0.00 N ATOM 1042 CA THR A 72 8.300 -1.430 0.504 1.00 0.00 C ATOM 1043 C THR A 72 7.383 -0.361 -0.080 1.00 0.00 C ATOM 1044 O THR A 72 6.962 -0.452 -1.234 1.00 0.00 O ATOM 1045 CB THR A 72 9.611 -1.462 -0.304 1.00 0.00 C ATOM 1046 OG1 THR A 72 10.434 -2.546 0.141 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.369 -0.151 -0.157 1.00 0.00 C ATOM 0 H THR A 72 7.524 -3.148 -0.412 1.00 0.00 H new ATOM 0 HA THR A 72 8.527 -1.184 1.541 1.00 0.00 H new ATOM 0 HB THR A 72 9.361 -1.603 -1.355 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.265 -2.561 -0.379 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.291 -0.197 -0.736 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.751 0.669 -0.523 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.608 0.015 0.893 1.00 0.00 H new ATOM 1055 N VAL A 73 7.078 0.654 0.723 1.00 0.00 N ATOM 1056 CA VAL A 73 6.212 1.742 0.285 1.00 0.00 C ATOM 1057 C VAL A 73 6.699 2.335 -1.032 1.00 0.00 C ATOM 1058 O VAL A 73 7.837 2.788 -1.155 1.00 0.00 O ATOM 1059 CB VAL A 73 6.137 2.860 1.342 1.00 0.00 C ATOM 1060 CG1 VAL A 73 5.265 4.004 0.848 1.00 0.00 C ATOM 1061 CG2 VAL A 73 5.614 2.311 2.661 1.00 0.00 C ATOM 0 H VAL A 73 7.418 0.745 1.680 1.00 0.00 H new ATOM 0 HA VAL A 73 5.218 1.318 0.144 1.00 0.00 H new ATOM 0 HB VAL A 73 7.142 3.247 1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.224 4.784 1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.687 4.413 -0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.258 3.635 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.567 3.114 3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.617 1.896 2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.283 1.529 3.020 1.00 0.00 H new ATOM 1071 N PRO A 74 5.817 2.334 -2.043 1.00 0.00 N ATOM 1072 CA PRO A 74 6.134 2.869 -3.371 1.00 0.00 C ATOM 1073 C PRO A 74 6.273 4.388 -3.365 1.00 0.00 C ATOM 1074 O PRO A 74 5.795 5.060 -2.452 1.00 0.00 O ATOM 1075 CB PRO A 74 4.932 2.446 -4.220 1.00 0.00 C ATOM 1076 CG PRO A 74 3.815 2.294 -3.246 1.00 0.00 C ATOM 1077 CD PRO A 74 4.443 1.810 -1.968 1.00 0.00 C ATOM 0 HA PRO A 74 7.088 2.497 -3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.698 3.195 -4.976 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.128 1.512 -4.746 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.299 3.242 -3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.074 1.583 -3.610 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.916 2.189 -1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.431 0.722 -1.901 1.00 0.00 H new ATOM 1085 N GLU A 75 6.932 4.921 -4.389 1.00 0.00 N ATOM 1086 CA GLU A 75 7.135 6.361 -4.500 1.00 0.00 C ATOM 1087 C GLU A 75 5.895 7.042 -5.074 1.00 0.00 C ATOM 1088 O GLU A 75 5.288 6.551 -6.026 1.00 0.00 O ATOM 1089 CB GLU A 75 8.349 6.661 -5.381 1.00 0.00 C ATOM 1090 CG GLU A 75 9.672 6.254 -4.754 1.00 0.00 C ATOM 1091 CD GLU A 75 10.749 5.986 -5.787 1.00 0.00 C ATOM 1092 OE1 GLU A 75 10.891 6.801 -6.722 1.00 0.00 O ATOM 1093 OE2 GLU A 75 11.450 4.960 -5.658 1.00 0.00 O ATOM 0 H GLU A 75 7.334 4.378 -5.153 1.00 0.00 H new ATOM 0 HA GLU A 75 7.315 6.755 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.233 6.143 -6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.374 7.729 -5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.008 7.042 -4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.523 5.359 -4.149 1.00 0.00 H new ATOM 1100 N TYR A 76 5.525 8.175 -4.487 1.00 0.00 N ATOM 1101 CA TYR A 76 4.357 8.922 -4.937 1.00 0.00 C ATOM 1102 C TYR A 76 4.668 9.707 -6.207 1.00 0.00 C ATOM 1103 O TYR A 76 5.831 9.940 -6.537 1.00 0.00 O ATOM 1104 CB TYR A 76 3.881 9.875 -3.839 1.00 0.00 C ATOM 1105 CG TYR A 76 2.537 10.506 -4.126 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.496 9.758 -4.659 1.00 0.00 C ATOM 1107 CD2 TYR A 76 2.310 11.852 -3.865 1.00 0.00 C ATOM 1108 CE1 TYR A 76 0.267 10.330 -4.923 1.00 0.00 C ATOM 1109 CE2 TYR A 76 1.084 12.433 -4.124 1.00 0.00 C ATOM 1110 CZ TYR A 76 0.066 11.668 -4.654 1.00 0.00 C ATOM 1111 OH TYR A 76 -1.157 12.243 -4.915 1.00 0.00 O ATOM 0 H TYR A 76 6.017 8.596 -3.699 1.00 0.00 H new ATOM 0 HA TYR A 76 3.564 8.208 -5.158 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.824 9.330 -2.897 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.622 10.663 -3.707 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.650 8.710 -4.871 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.106 12.454 -3.453 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.532 9.733 -5.338 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.923 13.480 -3.913 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.132 13.191 -4.668 1.00 0.00 H new ATOM 1121 N SER A 77 3.620 10.114 -6.916 1.00 0.00 N ATOM 1122 CA SER A 77 3.780 10.870 -8.152 1.00 0.00 C ATOM 1123 C SER A 77 4.460 12.210 -7.885 1.00 0.00 C ATOM 1124 O SER A 77 5.326 12.641 -8.645 1.00 0.00 O ATOM 1125 CB SER A 77 2.420 11.099 -8.815 1.00 0.00 C ATOM 1126 OG SER A 77 1.632 12.005 -8.062 1.00 0.00 O ATOM 0 H SER A 77 2.651 9.933 -6.655 1.00 0.00 H new ATOM 0 HA SER A 77 4.411 10.289 -8.825 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.564 11.488 -9.823 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.895 10.149 -8.912 1.00 0.00 H new ATOM 0 HG SER A 77 0.769 12.136 -8.507 1.00 0.00 H new ATOM 1132 N ASN A 78 4.060 12.863 -6.799 1.00 0.00 N ATOM 1133 CA ASN A 78 4.630 14.154 -6.431 1.00 0.00 C ATOM 1134 C ASN A 78 5.330 14.073 -5.077 1.00 0.00 C ATOM 1135 O ASN A 78 4.692 13.857 -4.047 1.00 0.00 O ATOM 1136 CB ASN A 78 3.537 15.224 -6.389 1.00 0.00 C ATOM 1137 CG ASN A 78 4.092 16.625 -6.562 1.00 0.00 C ATOM 1138 OD1 ASN A 78 5.272 16.804 -6.863 1.00 0.00 O ATOM 1139 ND2 ASN A 78 3.241 17.626 -6.372 1.00 0.00 N ATOM 0 H ASN A 78 3.344 12.520 -6.159 1.00 0.00 H new ATOM 0 HA ASN A 78 5.367 14.427 -7.186 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.808 15.026 -7.174 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.007 15.161 -5.439 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.557 18.590 -6.475 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.271 17.431 -6.123 1.00 0.00 H new ATOM 1146 N LYS A 79 6.647 14.250 -5.088 1.00 0.00 N ATOM 1147 CA LYS A 79 7.436 14.199 -3.863 1.00 0.00 C ATOM 1148 C LYS A 79 7.699 15.603 -3.326 1.00 0.00 C ATOM 1149 O LYS A 79 7.721 15.820 -2.115 1.00 0.00 O ATOM 1150 CB LYS A 79 8.764 13.481 -4.116 1.00 0.00 C ATOM 1151 CG LYS A 79 8.611 11.992 -4.374 1.00 0.00 C ATOM 1152 CD LYS A 79 9.861 11.226 -3.977 1.00 0.00 C ATOM 1153 CE LYS A 79 10.008 9.944 -4.781 1.00 0.00 C ATOM 1154 NZ LYS A 79 10.388 10.216 -6.195 1.00 0.00 N ATOM 0 H LYS A 79 7.190 14.430 -5.932 1.00 0.00 H new ATOM 0 HA LYS A 79 6.867 13.644 -3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.259 13.941 -4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.416 13.627 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.757 11.611 -3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.401 11.825 -5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.738 11.855 -4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.821 10.988 -2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.764 9.309 -4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.069 9.391 -4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.755 9.345 -6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.553 10.540 -6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.122 10.952 -6.222 1.00 0.00 H new ATOM 1168 N ARG A 80 7.896 16.551 -4.236 1.00 0.00 N ATOM 1169 CA ARG A 80 8.157 17.934 -3.854 1.00 0.00 C ATOM 1170 C ARG A 80 6.867 18.637 -3.443 1.00 0.00 C ATOM 1171 O ARG A 80 6.546 19.713 -3.947 1.00 0.00 O ATOM 1172 CB ARG A 80 8.816 18.689 -5.010 1.00 0.00 C ATOM 1173 CG ARG A 80 8.019 18.640 -6.303 1.00 0.00 C ATOM 1174 CD ARG A 80 8.727 19.385 -7.423 1.00 0.00 C ATOM 1175 NE ARG A 80 7.912 19.459 -8.633 1.00 0.00 N ATOM 1176 CZ ARG A 80 8.291 20.093 -9.736 1.00 0.00 C ATOM 1177 NH1 ARG A 80 9.467 20.705 -9.783 1.00 0.00 N ATOM 1178 NH2 ARG A 80 7.494 20.116 -10.797 1.00 0.00 N ATOM 0 H ARG A 80 7.880 16.387 -5.243 1.00 0.00 H new ATOM 0 HA ARG A 80 8.835 17.927 -3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.957 19.730 -4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.807 18.271 -5.188 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.864 17.602 -6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.033 19.076 -6.141 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.972 20.393 -7.089 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.669 18.887 -7.651 1.00 0.00 H new ATOM 0 HE ARG A 80 7.002 18.998 -8.630 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.083 20.689 -8.970 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.755 21.191 -10.632 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.589 19.646 -10.765 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.786 20.603 -11.644 1.00 0.00 H new ATOM 1192 N VAL A 81 6.130 18.021 -2.524 1.00 0.00 N ATOM 1193 CA VAL A 81 4.875 18.587 -2.044 1.00 0.00 C ATOM 1194 C VAL A 81 5.054 19.243 -0.679 1.00 0.00 C ATOM 1195 O VAL A 81 5.732 18.704 0.195 1.00 0.00 O ATOM 1196 CB VAL A 81 3.776 17.513 -1.945 1.00 0.00 C ATOM 1197 CG1 VAL A 81 3.286 17.121 -3.331 1.00 0.00 C ATOM 1198 CG2 VAL A 81 4.287 16.297 -1.188 1.00 0.00 C ATOM 0 H VAL A 81 6.381 17.129 -2.097 1.00 0.00 H new ATOM 0 HA VAL A 81 4.571 19.342 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 81 2.934 17.929 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.510 16.361 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.879 17.998 -3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.118 16.723 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.497 15.548 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.146 15.877 -1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.584 16.593 -0.182 1.00 0.00 H new ATOM 1208 N SER A 82 4.441 20.409 -0.504 1.00 0.00 N ATOM 1209 CA SER A 82 4.536 21.141 0.754 1.00 0.00 C ATOM 1210 C SER A 82 3.588 20.554 1.795 1.00 0.00 C ATOM 1211 O SER A 82 3.779 20.738 2.998 1.00 0.00 O ATOM 1212 CB SER A 82 4.215 22.621 0.533 1.00 0.00 C ATOM 1213 OG SER A 82 2.904 22.788 0.023 1.00 0.00 O ATOM 0 H SER A 82 3.873 20.867 -1.217 1.00 0.00 H new ATOM 0 HA SER A 82 5.557 21.049 1.124 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.314 23.162 1.474 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.936 23.053 -0.161 1.00 0.00 H new ATOM 0 HG SER A 82 2.723 23.742 -0.108 1.00 0.00 H new ATOM 1219 N ARG A 83 2.565 19.848 1.325 1.00 0.00 N ATOM 1220 CA ARG A 83 1.587 19.235 2.215 1.00 0.00 C ATOM 1221 C ARG A 83 1.477 17.736 1.952 1.00 0.00 C ATOM 1222 O ARG A 83 1.712 17.256 0.842 1.00 0.00 O ATOM 1223 CB ARG A 83 0.219 19.896 2.036 1.00 0.00 C ATOM 1224 CG ARG A 83 0.141 21.299 2.615 1.00 0.00 C ATOM 1225 CD ARG A 83 -1.301 21.739 2.816 1.00 0.00 C ATOM 1226 NE ARG A 83 -1.397 22.943 3.637 1.00 0.00 N ATOM 1227 CZ ARG A 83 -1.045 24.152 3.213 1.00 0.00 C ATOM 1228 NH1 ARG A 83 -0.577 24.317 1.984 1.00 0.00 N ATOM 1229 NH2 ARG A 83 -1.161 25.199 4.020 1.00 0.00 N ATOM 0 H ARG A 83 2.392 19.686 0.333 1.00 0.00 H new ATOM 0 HA ARG A 83 1.924 19.383 3.241 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.019 19.937 0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.541 19.274 2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.668 21.330 3.568 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.646 21.998 1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.762 21.924 1.846 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.863 20.933 3.287 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.754 22.851 4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.486 23.515 1.361 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.308 25.246 1.661 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.521 25.076 4.967 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.891 26.127 3.694 1.00 0.00 H new ATOM 1243 N PRO A 84 1.112 16.977 2.996 1.00 0.00 N ATOM 1244 CA PRO A 84 0.963 15.521 2.903 1.00 0.00 C ATOM 1245 C PRO A 84 -0.241 15.115 2.061 1.00 0.00 C ATOM 1246 O PRO A 84 -1.206 15.869 1.934 1.00 0.00 O ATOM 1247 CB PRO A 84 0.768 15.091 4.359 1.00 0.00 C ATOM 1248 CG PRO A 84 0.206 16.292 5.037 1.00 0.00 C ATOM 1249 CD PRO A 84 0.817 17.481 4.348 1.00 0.00 C ATOM 0 HA PRO A 84 1.820 15.053 2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 84 0.090 14.241 4.433 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.712 14.786 4.812 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.881 16.312 4.958 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.449 16.290 6.100 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.130 18.327 4.321 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.720 17.820 4.856 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.180 13.917 1.488 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.267 13.409 0.659 1.00 0.00 C ATOM 1259 C VAL A 85 -1.865 12.140 1.255 1.00 0.00 C ATOM 1260 O VAL A 85 -1.169 11.359 1.903 1.00 0.00 O ATOM 1261 CB VAL A 85 -0.788 13.114 -0.775 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -1.957 12.687 -1.651 1.00 0.00 C ATOM 1263 CG2 VAL A 85 -0.087 14.329 -1.363 1.00 0.00 C ATOM 0 H VAL A 85 0.611 13.280 1.583 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.031 14.186 0.626 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.073 12.292 -0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.600 12.483 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.411 11.787 -1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.698 13.485 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.245 14.103 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.778 15.172 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.775 14.585 -0.748 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.159 11.940 1.029 1.00 0.00 N ATOM 1274 CA GLN A 86 -3.851 10.764 1.544 1.00 0.00 C ATOM 1275 C GLN A 86 -4.194 9.797 0.416 1.00 0.00 C ATOM 1276 O GLN A 86 -4.946 10.134 -0.498 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.126 11.179 2.281 1.00 0.00 C ATOM 1278 CG GLN A 86 -6.033 10.010 2.633 1.00 0.00 C ATOM 1279 CD GLN A 86 -5.531 9.222 3.827 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -4.953 9.784 4.758 1.00 0.00 O ATOM 1281 NE2 GLN A 86 -5.749 7.912 3.806 1.00 0.00 N ATOM 0 H GLN A 86 -3.749 12.576 0.493 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.184 10.258 2.242 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -4.852 11.704 3.196 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.680 11.885 1.662 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.035 10.383 2.844 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.115 9.346 1.772 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.232 7.488 3.014 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.433 7.330 4.582 1.00 0.00 H new ATOM 1290 N VAL A 87 -3.637 8.592 0.487 1.00 0.00 N ATOM 1291 CA VAL A 87 -3.884 7.574 -0.528 1.00 0.00 C ATOM 1292 C VAL A 87 -4.417 6.291 0.099 1.00 0.00 C ATOM 1293 O VAL A 87 -4.415 6.137 1.320 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.604 7.252 -1.322 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -2.026 8.515 -1.941 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.580 6.569 -0.428 1.00 0.00 C ATOM 0 H VAL A 87 -3.012 8.297 1.237 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.632 7.980 -1.209 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.862 6.567 -2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.122 8.267 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.758 8.957 -2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.782 9.228 -1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.682 6.349 -1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.325 7.228 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.998 5.640 -0.039 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.873 5.372 -0.745 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.412 4.102 -0.274 1.00 0.00 C ATOM 1308 C TYR A 88 -4.780 2.932 -1.022 1.00 0.00 C ATOM 1309 O TYR A 88 -4.384 3.061 -2.180 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.931 4.072 -0.448 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.659 5.078 0.415 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -7.828 4.860 1.777 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -8.179 6.245 -0.130 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -8.493 5.775 2.570 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -8.844 7.166 0.655 1.00 0.00 C ATOM 1316 CZ TYR A 88 -8.998 6.927 2.005 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.662 7.841 2.790 1.00 0.00 O ATOM 0 H TYR A 88 -4.880 5.483 -1.759 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.173 4.005 0.785 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.172 4.261 -1.494 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.296 3.072 -0.212 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.433 3.960 2.223 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.061 6.435 -1.187 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.617 5.589 3.627 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.241 8.069 0.215 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.953 8.596 2.238 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.690 1.788 -0.350 1.00 0.00 N ATOM 1328 CA PHE A 89 -4.107 0.594 -0.950 1.00 0.00 C ATOM 1329 C PHE A 89 -4.845 -0.661 -0.491 1.00 0.00 C ATOM 1330 O PHE A 89 -5.382 -0.709 0.616 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.624 0.487 -0.587 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.374 0.397 0.892 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -2.672 -0.763 1.588 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -1.840 1.472 1.584 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -2.444 -0.848 2.949 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -1.609 1.392 2.945 1.00 0.00 C ATOM 1337 CZ PHE A 89 -1.910 0.230 3.628 1.00 0.00 C ATOM 0 H PHE A 89 -5.013 1.663 0.609 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.205 0.677 -2.032 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.202 -0.392 -1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.097 1.355 -0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.087 -1.610 1.062 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.602 2.383 1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.683 -1.757 3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.194 2.237 3.473 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.728 0.164 4.691 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.869 -1.673 -1.351 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.544 -2.926 -1.037 1.00 0.00 C ATOM 1349 C TYR A 90 -4.714 -4.122 -1.496 1.00 0.00 C ATOM 1350 O TYR A 90 -3.765 -3.975 -2.266 1.00 0.00 O ATOM 1351 CB TYR A 90 -6.924 -2.966 -1.697 1.00 0.00 C ATOM 1352 CG TYR A 90 -6.874 -2.921 -3.207 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.849 -1.709 -3.886 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -6.852 -4.092 -3.956 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -6.804 -1.663 -5.266 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -6.806 -4.056 -5.337 1.00 0.00 C ATOM 1357 CZ TYR A 90 -6.783 -2.839 -5.986 1.00 0.00 C ATOM 1358 OH TYR A 90 -6.737 -2.798 -7.361 1.00 0.00 O ATOM 0 H TYR A 90 -4.429 -1.650 -2.271 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.664 -2.983 0.045 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.440 -3.874 -1.386 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.515 -2.124 -1.336 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.865 -0.786 -3.325 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.871 -5.046 -3.450 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.785 -0.712 -5.778 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.788 -4.975 -5.904 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.726 -3.712 -7.715 1.00 0.00 H new ATOM 1368 N VAL A 91 -5.080 -5.306 -1.016 1.00 0.00 N ATOM 1369 CA VAL A 91 -4.371 -6.529 -1.377 1.00 0.00 C ATOM 1370 C VAL A 91 -5.154 -7.333 -2.408 1.00 0.00 C ATOM 1371 O VAL A 91 -6.297 -7.723 -2.170 1.00 0.00 O ATOM 1372 CB VAL A 91 -4.112 -7.412 -0.142 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -3.220 -8.589 -0.506 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -3.494 -6.591 0.979 1.00 0.00 C ATOM 0 H VAL A 91 -5.863 -5.445 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.415 -6.227 -1.805 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.066 -7.805 0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.048 -9.202 0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.706 -9.190 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.266 -8.220 -0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.318 -7.231 1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.548 -6.168 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.173 -5.785 1.256 1.00 0.00 H new ATOM 1384 N SER A 92 -4.531 -7.580 -3.556 1.00 0.00 N ATOM 1385 CA SER A 92 -5.170 -8.336 -4.627 1.00 0.00 C ATOM 1386 C SER A 92 -4.947 -9.834 -4.442 1.00 0.00 C ATOM 1387 O SER A 92 -3.816 -10.316 -4.501 1.00 0.00 O ATOM 1388 CB SER A 92 -4.630 -7.892 -5.987 1.00 0.00 C ATOM 1389 OG SER A 92 -5.069 -8.759 -7.018 1.00 0.00 O ATOM 0 H SER A 92 -3.584 -7.267 -3.768 1.00 0.00 H new ATOM 0 HA SER A 92 -6.241 -8.138 -4.588 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.960 -6.875 -6.198 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.540 -7.875 -5.961 1.00 0.00 H new ATOM 0 HG SER A 92 -4.711 -8.453 -7.877 1.00 0.00 H new ATOM 1395 N ASN A 93 -6.034 -10.565 -4.218 1.00 0.00 N ATOM 1396 CA ASN A 93 -5.958 -12.008 -4.024 1.00 0.00 C ATOM 1397 C ASN A 93 -6.958 -12.731 -4.921 1.00 0.00 C ATOM 1398 O ASN A 93 -8.153 -12.772 -4.630 1.00 0.00 O ATOM 1399 CB ASN A 93 -6.221 -12.361 -2.559 1.00 0.00 C ATOM 1400 CG ASN A 93 -5.304 -11.614 -1.610 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -5.051 -10.422 -1.784 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -4.801 -12.313 -0.599 1.00 0.00 N ATOM 0 H ASN A 93 -6.978 -10.182 -4.166 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.953 -12.334 -4.294 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.258 -12.132 -2.314 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.090 -13.434 -2.418 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.178 -11.863 0.072 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.038 -13.299 -0.493 1.00 0.00 H new ATOM 1409 N GLY A 94 -6.460 -13.302 -6.013 1.00 0.00 N ATOM 1410 CA GLY A 94 -7.324 -14.017 -6.936 1.00 0.00 C ATOM 1411 C GLY A 94 -7.823 -13.135 -8.064 1.00 0.00 C ATOM 1412 O GLY A 94 -7.031 -12.503 -8.763 1.00 0.00 O ATOM 0 H GLY A 94 -5.475 -13.283 -6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.781 -14.865 -7.354 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.177 -14.422 -6.391 1.00 0.00 H new ATOM 1416 N ARG A 95 -9.139 -13.094 -8.242 1.00 0.00 N ATOM 1417 CA ARG A 95 -9.742 -12.286 -9.295 1.00 0.00 C ATOM 1418 C ARG A 95 -10.801 -11.349 -8.722 1.00 0.00 C ATOM 1419 O ARG A 95 -10.897 -10.187 -9.118 1.00 0.00 O ATOM 1420 CB ARG A 95 -10.366 -13.185 -10.364 1.00 0.00 C ATOM 1421 CG ARG A 95 -11.493 -14.060 -9.841 1.00 0.00 C ATOM 1422 CD ARG A 95 -12.153 -14.848 -10.962 1.00 0.00 C ATOM 1423 NE ARG A 95 -12.710 -13.974 -11.991 1.00 0.00 N ATOM 1424 CZ ARG A 95 -12.002 -13.488 -13.004 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -10.716 -13.790 -13.124 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -12.580 -12.698 -13.901 1.00 0.00 N ATOM 0 H ARG A 95 -9.808 -13.611 -7.671 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.956 -11.684 -9.751 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.747 -12.562 -11.174 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.590 -13.822 -10.789 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.103 -14.749 -9.092 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -12.238 -13.438 -9.345 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -11.422 -15.519 -11.413 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -12.945 -15.472 -10.549 1.00 0.00 H new ATOM 0 HE ARG A 95 -13.697 -13.723 -11.928 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.268 -14.397 -12.437 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.175 -13.415 -13.903 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.569 -12.464 -13.812 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.035 -12.325 -14.679 1.00 0.00 H new ATOM 1440 N ARG A 96 -11.595 -11.863 -7.788 1.00 0.00 N ATOM 1441 CA ARG A 96 -12.649 -11.073 -7.162 1.00 0.00 C ATOM 1442 C ARG A 96 -12.347 -10.838 -5.684 1.00 0.00 C ATOM 1443 O ARG A 96 -12.699 -9.799 -5.125 1.00 0.00 O ATOM 1444 CB ARG A 96 -13.999 -11.775 -7.312 1.00 0.00 C ATOM 1445 CG ARG A 96 -14.698 -11.476 -8.628 1.00 0.00 C ATOM 1446 CD ARG A 96 -16.211 -11.542 -8.483 1.00 0.00 C ATOM 1447 NE ARG A 96 -16.727 -10.471 -7.636 1.00 0.00 N ATOM 1448 CZ ARG A 96 -17.935 -10.489 -7.083 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -18.746 -11.518 -7.287 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -18.333 -9.477 -6.323 1.00 0.00 N ATOM 0 H ARG A 96 -11.529 -12.822 -7.448 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.692 -10.107 -7.665 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -13.851 -12.851 -7.225 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -14.648 -11.475 -6.489 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -14.408 -10.486 -8.978 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -14.372 -12.190 -9.385 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -16.673 -11.479 -9.468 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -16.493 -12.506 -8.060 1.00 0.00 H new ATOM 0 HE ARG A 96 -16.128 -9.665 -7.459 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -18.443 -12.298 -7.870 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -19.673 -11.529 -6.861 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -17.711 -8.684 -6.163 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -19.261 -9.492 -5.899 1.00 0.00 H new ATOM 1464 N LYS A 97 -11.692 -11.810 -5.058 1.00 0.00 N ATOM 1465 CA LYS A 97 -11.342 -11.710 -3.646 1.00 0.00 C ATOM 1466 C LYS A 97 -10.290 -10.628 -3.422 1.00 0.00 C ATOM 1467 O LYS A 97 -9.194 -10.690 -3.979 1.00 0.00 O ATOM 1468 CB LYS A 97 -10.823 -13.055 -3.132 1.00 0.00 C ATOM 1469 CG LYS A 97 -11.919 -14.080 -2.899 1.00 0.00 C ATOM 1470 CD LYS A 97 -12.182 -14.908 -4.146 1.00 0.00 C ATOM 1471 CE LYS A 97 -12.876 -16.219 -3.808 1.00 0.00 C ATOM 1472 NZ LYS A 97 -12.785 -17.199 -4.926 1.00 0.00 N ATOM 0 H LYS A 97 -11.393 -12.676 -5.506 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.241 -11.439 -3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.107 -13.457 -3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.283 -12.894 -2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.635 -14.738 -2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.835 -13.572 -2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.799 -14.337 -4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.239 -15.114 -4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -12.427 -16.647 -2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.924 -16.026 -3.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.270 -18.079 -4.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.236 -16.801 -5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.785 -17.402 -5.129 1.00 0.00 H new ATOM 1486 N ARG A 98 -10.630 -9.639 -2.602 1.00 0.00 N ATOM 1487 CA ARG A 98 -9.715 -8.544 -2.305 1.00 0.00 C ATOM 1488 C ARG A 98 -9.819 -8.132 -0.839 1.00 0.00 C ATOM 1489 O ARG A 98 -10.611 -8.691 -0.081 1.00 0.00 O ATOM 1490 CB ARG A 98 -10.011 -7.344 -3.206 1.00 0.00 C ATOM 1491 CG ARG A 98 -9.476 -7.497 -4.620 1.00 0.00 C ATOM 1492 CD ARG A 98 -9.760 -6.261 -5.460 1.00 0.00 C ATOM 1493 NE ARG A 98 -9.043 -6.288 -6.732 1.00 0.00 N ATOM 1494 CZ ARG A 98 -9.077 -5.296 -7.615 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -9.788 -4.206 -7.365 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -8.397 -5.394 -8.750 1.00 0.00 N ATOM 0 H ARG A 98 -11.533 -9.574 -2.132 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.699 -8.890 -2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.089 -7.190 -3.249 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -9.579 -6.449 -2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.401 -7.676 -4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.930 -8.370 -5.090 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.831 -6.189 -5.649 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.474 -5.370 -4.902 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.486 -7.113 -6.954 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.311 -4.127 -6.493 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.812 -3.446 -8.045 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.848 -6.231 -8.945 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.423 -4.632 -9.428 1.00 0.00 H new ATOM 1510 N SER A 99 -9.013 -7.150 -0.447 1.00 0.00 N ATOM 1511 CA SER A 99 -9.011 -6.665 0.928 1.00 0.00 C ATOM 1512 C SER A 99 -9.579 -5.252 1.007 1.00 0.00 C ATOM 1513 O SER A 99 -9.654 -4.529 0.013 1.00 0.00 O ATOM 1514 CB SER A 99 -7.591 -6.689 1.497 1.00 0.00 C ATOM 1515 OG SER A 99 -7.314 -7.929 2.124 1.00 0.00 O ATOM 0 H SER A 99 -8.353 -6.675 -1.063 1.00 0.00 H new ATOM 0 HA SER A 99 -9.644 -7.325 1.521 1.00 0.00 H new ATOM 0 HB2 SER A 99 -6.872 -6.514 0.697 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.470 -5.879 2.216 1.00 0.00 H new ATOM 0 HG SER A 99 -8.113 -8.242 2.597 1.00 0.00 H new ATOM 1521 N PRO A 100 -9.989 -4.846 2.218 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.557 -3.516 2.457 1.00 0.00 C ATOM 1523 C PRO A 100 -9.516 -2.410 2.331 1.00 0.00 C ATOM 1524 O PRO A 100 -8.455 -2.467 2.953 1.00 0.00 O ATOM 1525 CB PRO A 100 -11.073 -3.604 3.896 1.00 0.00 C ATOM 1526 CG PRO A 100 -10.239 -4.662 4.533 1.00 0.00 C ATOM 1527 CD PRO A 100 -9.929 -5.655 3.447 1.00 0.00 C ATOM 0 HA PRO A 100 -11.327 -3.265 1.728 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.967 -2.651 4.414 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.131 -3.865 3.922 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.324 -4.240 4.949 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -10.773 -5.137 5.356 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -8.946 -6.106 3.584 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -10.654 -6.469 3.428 1.00 0.00 H new ATOM 1535 N THR A 101 -9.825 -1.401 1.522 1.00 0.00 N ATOM 1536 CA THR A 101 -8.916 -0.281 1.314 1.00 0.00 C ATOM 1537 C THR A 101 -8.395 0.258 2.641 1.00 0.00 C ATOM 1538 O THR A 101 -9.166 0.495 3.570 1.00 0.00 O ATOM 1539 CB THR A 101 -9.600 0.862 0.542 1.00 0.00 C ATOM 1540 OG1 THR A 101 -10.919 1.080 1.056 1.00 0.00 O ATOM 1541 CG2 THR A 101 -9.676 0.543 -0.944 1.00 0.00 C ATOM 0 H THR A 101 -10.699 -1.337 1.000 1.00 0.00 H new ATOM 0 HA THR A 101 -8.080 -0.658 0.725 1.00 0.00 H new ATOM 0 HB THR A 101 -9.005 1.766 0.673 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.347 1.810 0.561 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.163 1.365 -1.468 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.669 0.407 -1.339 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.250 -0.372 -1.091 1.00 0.00 H new ATOM 1549 N GLN A 102 -7.082 0.449 2.722 1.00 0.00 N ATOM 1550 CA GLN A 102 -6.459 0.961 3.937 1.00 0.00 C ATOM 1551 C GLN A 102 -6.174 2.454 3.816 1.00 0.00 C ATOM 1552 O GLN A 102 -5.590 2.906 2.831 1.00 0.00 O ATOM 1553 CB GLN A 102 -5.162 0.204 4.228 1.00 0.00 C ATOM 1554 CG GLN A 102 -5.378 -1.256 4.592 1.00 0.00 C ATOM 1555 CD GLN A 102 -6.382 -1.435 5.714 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -6.223 -0.878 6.800 1.00 0.00 O ATOM 1557 NE2 GLN A 102 -7.425 -2.216 5.456 1.00 0.00 N ATOM 0 H GLN A 102 -6.430 0.257 1.962 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.154 0.809 4.763 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.515 0.260 3.353 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -4.637 0.700 5.045 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.722 -1.799 3.712 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.426 -1.698 4.887 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -7.517 -2.658 4.541 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -8.134 -2.374 6.172 1.00 0.00 H new ATOM 1566 N SER A 103 -6.590 3.215 4.823 1.00 0.00 N ATOM 1567 CA SER A 103 -6.383 4.658 4.827 1.00 0.00 C ATOM 1568 C SER A 103 -4.922 4.997 5.110 1.00 0.00 C ATOM 1569 O SER A 103 -4.466 4.926 6.251 1.00 0.00 O ATOM 1570 CB SER A 103 -7.283 5.321 5.871 1.00 0.00 C ATOM 1571 OG SER A 103 -6.945 4.896 7.180 1.00 0.00 O ATOM 0 H SER A 103 -7.073 2.856 5.647 1.00 0.00 H new ATOM 0 HA SER A 103 -6.642 5.040 3.839 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.189 6.405 5.801 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.325 5.078 5.664 1.00 0.00 H new ATOM 0 HG SER A 103 -5.976 4.762 7.241 1.00 0.00 H new ATOM 1577 N PHE A 104 -4.193 5.365 4.061 1.00 0.00 N ATOM 1578 CA PHE A 104 -2.784 5.714 4.195 1.00 0.00 C ATOM 1579 C PHE A 104 -2.538 7.159 3.770 1.00 0.00 C ATOM 1580 O PHE A 104 -3.365 7.766 3.088 1.00 0.00 O ATOM 1581 CB PHE A 104 -1.921 4.770 3.355 1.00 0.00 C ATOM 1582 CG PHE A 104 -0.548 4.548 3.923 1.00 0.00 C ATOM 1583 CD1 PHE A 104 -0.385 3.945 5.159 1.00 0.00 C ATOM 1584 CD2 PHE A 104 0.579 4.943 3.220 1.00 0.00 C ATOM 1585 CE1 PHE A 104 0.877 3.740 5.684 1.00 0.00 C ATOM 1586 CE2 PHE A 104 1.844 4.740 3.740 1.00 0.00 C ATOM 1587 CZ PHE A 104 1.993 4.137 4.973 1.00 0.00 C ATOM 0 H PHE A 104 -4.555 5.429 3.110 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.508 5.611 5.245 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.428 3.809 3.266 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.828 5.176 2.348 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.254 3.631 5.719 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.468 5.415 2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.991 3.270 6.650 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.714 5.053 3.182 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.980 3.976 5.381 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.397 7.704 4.179 1.00 0.00 N ATOM 1598 CA ARG A 105 -1.043 9.078 3.843 1.00 0.00 C ATOM 1599 C ARG A 105 0.472 9.252 3.791 1.00 0.00 C ATOM 1600 O ARG A 105 1.195 8.747 4.650 1.00 0.00 O ATOM 1601 CB ARG A 105 -1.643 10.046 4.865 1.00 0.00 C ATOM 1602 CG ARG A 105 -1.133 11.471 4.726 1.00 0.00 C ATOM 1603 CD ARG A 105 -1.249 12.235 6.035 1.00 0.00 C ATOM 1604 NE ARG A 105 -0.412 11.656 7.083 1.00 0.00 N ATOM 1605 CZ ARG A 105 -0.489 12.005 8.362 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -1.361 12.926 8.750 1.00 0.00 N ATOM 1607 NH2 ARG A 105 0.308 11.433 9.256 1.00 0.00 N ATOM 0 H ARG A 105 -0.702 7.215 4.743 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.451 9.301 2.857 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.728 10.045 4.760 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -1.420 9.685 5.869 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.092 11.456 4.403 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.699 11.987 3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.962 13.274 5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.289 12.238 6.362 1.00 0.00 H new ATOM 0 HE ARG A 105 0.269 10.945 6.818 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.974 13.368 8.065 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.418 13.192 9.733 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.980 10.725 8.961 1.00 0.00 H new ATOM 0 HH22 ARG A 105 0.248 11.702 10.238 1.00 0.00 H new ATOM 1621 N PHE A 106 0.945 9.968 2.777 1.00 0.00 N ATOM 1622 CA PHE A 106 2.374 10.207 2.611 1.00 0.00 C ATOM 1623 C PHE A 106 2.748 11.611 3.077 1.00 0.00 C ATOM 1624 O PHE A 106 2.115 12.595 2.693 1.00 0.00 O ATOM 1625 CB PHE A 106 2.777 10.020 1.147 1.00 0.00 C ATOM 1626 CG PHE A 106 2.365 8.693 0.577 1.00 0.00 C ATOM 1627 CD1 PHE A 106 2.701 7.513 1.221 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.643 8.625 -0.604 1.00 0.00 C ATOM 1629 CE1 PHE A 106 2.324 6.290 0.699 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.262 7.405 -1.130 1.00 0.00 C ATOM 1631 CZ PHE A 106 1.604 6.236 -0.478 1.00 0.00 C ATOM 0 H PHE A 106 0.360 10.393 2.058 1.00 0.00 H new ATOM 0 HA PHE A 106 2.912 9.484 3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.331 10.817 0.551 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.859 10.124 1.060 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.264 7.549 2.142 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.375 9.536 -1.119 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.592 5.378 1.211 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.697 7.366 -2.050 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.309 5.282 -0.888 1.00 0.00 H new ATOM 1641 N LEU A 107 3.781 11.696 3.908 1.00 0.00 N ATOM 1642 CA LEU A 107 4.241 12.979 4.429 1.00 0.00 C ATOM 1643 C LEU A 107 5.364 13.546 3.565 1.00 0.00 C ATOM 1644 O LEU A 107 6.158 12.813 2.976 1.00 0.00 O ATOM 1645 CB LEU A 107 4.722 12.822 5.872 1.00 0.00 C ATOM 1646 CG LEU A 107 3.835 11.978 6.788 1.00 0.00 C ATOM 1647 CD1 LEU A 107 4.586 11.595 8.054 1.00 0.00 C ATOM 1648 CD2 LEU A 107 2.556 12.727 7.130 1.00 0.00 C ATOM 0 H LEU A 107 4.316 10.892 4.236 1.00 0.00 H new ATOM 0 HA LEU A 107 3.403 13.675 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.718 12.379 5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.822 13.815 6.310 1.00 0.00 H new ATOM 0 HG LEU A 107 3.566 11.063 6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.939 10.995 8.693 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.472 11.018 7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.886 12.498 8.586 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.937 12.111 7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.805 13.658 7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.008 12.949 6.214 1.00 0.00 H new ATOM 1660 N PRO A 108 5.433 14.883 3.489 1.00 0.00 N ATOM 1661 CA PRO A 108 6.456 15.579 2.702 1.00 0.00 C ATOM 1662 C PRO A 108 7.848 15.443 3.311 1.00 0.00 C ATOM 1663 O PRO A 108 7.993 15.277 4.523 1.00 0.00 O ATOM 1664 CB PRO A 108 5.998 17.039 2.736 1.00 0.00 C ATOM 1665 CG PRO A 108 5.189 17.153 3.982 1.00 0.00 C ATOM 1666 CD PRO A 108 4.520 15.819 4.165 1.00 0.00 C ATOM 0 HA PRO A 108 6.545 15.169 1.696 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.849 17.720 2.752 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.406 17.289 1.855 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.821 17.393 4.837 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.451 17.951 3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.399 15.571 5.220 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.526 15.804 3.718 1.00 0.00 H new ATOM 1674 N VAL A 109 8.869 15.515 2.464 1.00 0.00 N ATOM 1675 CA VAL A 109 10.250 15.401 2.919 1.00 0.00 C ATOM 1676 C VAL A 109 10.873 16.776 3.131 1.00 0.00 C ATOM 1677 O VAL A 109 12.095 16.910 3.208 1.00 0.00 O ATOM 1678 CB VAL A 109 11.109 14.610 1.915 1.00 0.00 C ATOM 1679 CG1 VAL A 109 12.448 14.239 2.534 1.00 0.00 C ATOM 1680 CG2 VAL A 109 10.368 13.367 1.444 1.00 0.00 C ATOM 0 H VAL A 109 8.766 15.652 1.458 1.00 0.00 H new ATOM 0 HA VAL A 109 10.227 14.864 3.868 1.00 0.00 H new ATOM 0 HB VAL A 109 11.299 15.243 1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 109 13.041 13.681 1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.981 15.146 2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.282 13.624 3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.989 12.820 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.146 12.729 2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.437 13.660 0.959 1.00 0.00 H new