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 38 SER OG : rot -31:sc= -1.11 USER MOD Set 1.2: A 93 ASN : amide:sc= -5.15! C(o=-6.3!,f=-17!) USER MOD Set 2.1: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 30:sc= 1.24 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 65:sc= -5.25! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 6:sc= 1.11 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc=-0.00124 X(o=-0.0012,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00552 K(o=-0.0055,f=-0.92) USER MOD Single : A 63 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.39) USER MOD Single : A 64 SER OG : rot 180:sc= -1.04 USER MOD Single : A 65 ASN : amide:sc= -2.07 K(o=-2.1,f=-7.6!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -72:sc= -3.95! USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -3.31! C(o=-3.3!,f=-4.7!) USER MOD Single : A 79 LYS NZ :NH3+ -148:sc= -0.721 (180deg=-3.26!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -9.18! C(o=-9.2!,f=-11!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.379 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= -0.323 (180deg=-0.512) USER MOD Single : A 99 SER OG : rot 150:sc= 0.0772 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.39! K(o=-1.4!,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -10.529 -15.052 1.643 1.00 0.00 N ATOM 67 CA LEU A 8 -10.365 -13.606 1.543 1.00 0.00 C ATOM 68 C LEU A 8 -9.298 -13.110 2.514 1.00 0.00 C ATOM 69 O LEU A 8 -9.200 -13.568 3.653 1.00 0.00 O ATOM 70 CB LEU A 8 -11.694 -12.902 1.825 1.00 0.00 C ATOM 71 CG LEU A 8 -12.880 -13.336 0.963 1.00 0.00 C ATOM 72 CD1 LEU A 8 -14.183 -13.187 1.733 1.00 0.00 C ATOM 73 CD2 LEU A 8 -12.925 -12.530 -0.327 1.00 0.00 C ATOM 0 HA LEU A 8 -10.044 -13.371 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.953 -13.064 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.549 -11.830 1.694 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.752 -14.388 0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.016 -13.501 1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.150 -13.809 2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.318 -12.144 2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.775 -12.852 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.028 -11.471 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -12.004 -12.689 -0.887 1.00 0.00 H new ATOM 85 N PRO A 9 -8.480 -12.151 2.056 1.00 0.00 N ATOM 86 CA PRO A 9 -7.408 -11.570 2.869 1.00 0.00 C ATOM 87 C PRO A 9 -7.945 -10.707 4.005 1.00 0.00 C ATOM 88 O PRO A 9 -8.963 -10.032 3.855 1.00 0.00 O ATOM 89 CB PRO A 9 -6.628 -10.714 1.868 1.00 0.00 C ATOM 90 CG PRO A 9 -7.618 -10.375 0.807 1.00 0.00 C ATOM 91 CD PRO A 9 -8.540 -11.559 0.709 1.00 0.00 C ATOM 0 HA PRO A 9 -6.805 -12.336 3.356 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.231 -9.816 2.340 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.779 -11.260 1.457 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.170 -9.470 1.063 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.121 -10.187 -0.145 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.554 -11.258 0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.210 -12.263 -0.055 1.00 0.00 H new ATOM 99 N GLN A 10 -7.253 -10.732 5.140 1.00 0.00 N ATOM 100 CA GLN A 10 -7.661 -9.951 6.301 1.00 0.00 C ATOM 101 C GLN A 10 -6.600 -8.916 6.662 1.00 0.00 C ATOM 102 O GLN A 10 -5.403 -9.199 6.617 1.00 0.00 O ATOM 103 CB GLN A 10 -7.921 -10.871 7.495 1.00 0.00 C ATOM 104 CG GLN A 10 -9.114 -11.793 7.305 1.00 0.00 C ATOM 105 CD GLN A 10 -9.558 -12.446 8.599 1.00 0.00 C ATOM 106 OE1 GLN A 10 -10.162 -11.803 9.458 1.00 0.00 O ATOM 107 NE2 GLN A 10 -9.262 -13.732 8.745 1.00 0.00 N ATOM 0 H GLN A 10 -6.407 -11.285 5.280 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.582 -9.426 6.049 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.032 -11.474 7.678 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.082 -10.262 8.384 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.944 -11.225 6.885 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.859 -12.567 6.581 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.760 -14.227 8.008 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.537 -14.225 9.594 1.00 0.00 H new ATOM 116 N VAL A 11 -7.048 -7.717 7.019 1.00 0.00 N ATOM 117 CA VAL A 11 -6.137 -6.640 7.388 1.00 0.00 C ATOM 118 C VAL A 11 -6.497 -6.059 8.751 1.00 0.00 C ATOM 119 O VAL A 11 -7.355 -5.184 8.856 1.00 0.00 O ATOM 120 CB VAL A 11 -6.150 -5.510 6.341 1.00 0.00 C ATOM 121 CG1 VAL A 11 -5.247 -4.366 6.778 1.00 0.00 C ATOM 122 CG2 VAL A 11 -5.729 -6.042 4.979 1.00 0.00 C ATOM 0 H VAL A 11 -8.036 -7.467 7.061 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.137 -7.072 7.433 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.167 -5.127 6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.269 -3.577 6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.598 -3.969 7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.226 -4.731 6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.744 -5.231 4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.721 -6.453 5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.420 -6.824 4.664 1.00 0.00 H new ATOM 132 N GLU A 12 -5.833 -6.551 9.792 1.00 0.00 N ATOM 133 CA GLU A 12 -6.084 -6.081 11.149 1.00 0.00 C ATOM 134 C GLU A 12 -5.543 -4.667 11.343 1.00 0.00 C ATOM 135 O GLU A 12 -6.290 -3.743 11.662 1.00 0.00 O ATOM 136 CB GLU A 12 -5.445 -7.027 12.167 1.00 0.00 C ATOM 137 CG GLU A 12 -6.117 -6.999 13.530 1.00 0.00 C ATOM 138 CD GLU A 12 -7.510 -7.598 13.505 1.00 0.00 C ATOM 139 OE1 GLU A 12 -7.624 -8.830 13.344 1.00 0.00 O ATOM 140 OE2 GLU A 12 -8.486 -6.832 13.648 1.00 0.00 O ATOM 0 H GLU A 12 -5.118 -7.275 9.722 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.162 -6.064 11.307 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.478 -8.044 11.776 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.394 -6.764 12.284 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.503 -7.546 14.245 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.175 -5.969 13.882 1.00 0.00 H new ATOM 147 N ALA A 13 -4.238 -4.507 11.149 1.00 0.00 N ATOM 148 CA ALA A 13 -3.596 -3.207 11.301 1.00 0.00 C ATOM 149 C ALA A 13 -2.448 -3.043 10.310 1.00 0.00 C ATOM 150 O ALA A 13 -2.101 -3.976 9.586 1.00 0.00 O ATOM 151 CB ALA A 13 -3.096 -3.029 12.726 1.00 0.00 C ATOM 0 H ALA A 13 -3.604 -5.262 10.886 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.337 -2.436 11.089 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.619 -2.054 12.825 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.936 -3.094 13.417 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.374 -3.812 12.959 1.00 0.00 H new ATOM 157 N TYR A 14 -1.863 -1.850 10.284 1.00 0.00 N ATOM 158 CA TYR A 14 -0.755 -1.563 9.380 1.00 0.00 C ATOM 159 C TYR A 14 0.107 -0.426 9.919 1.00 0.00 C ATOM 160 O TYR A 14 -0.406 0.603 10.359 1.00 0.00 O ATOM 161 CB TYR A 14 -1.284 -1.201 7.991 1.00 0.00 C ATOM 162 CG TYR A 14 -2.307 -0.087 8.003 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.921 1.234 8.190 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.659 -0.357 7.829 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.852 2.255 8.203 1.00 0.00 C ATOM 166 CE2 TYR A 14 -4.596 0.658 7.839 1.00 0.00 C ATOM 167 CZ TYR A 14 -4.188 1.962 8.027 1.00 0.00 C ATOM 168 OH TYR A 14 -5.119 2.975 8.038 1.00 0.00 O ATOM 0 H TYR A 14 -2.137 -1.067 10.878 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.139 -2.459 9.306 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.447 -0.907 7.358 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.730 -2.087 7.539 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.875 1.467 8.328 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.982 -1.377 7.684 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.535 3.277 8.350 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.643 0.432 7.700 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.708 3.801 7.707 1.00 0.00 H new ATOM 178 N SER A 15 1.422 -0.621 9.882 1.00 0.00 N ATOM 179 CA SER A 15 2.357 0.386 10.370 1.00 0.00 C ATOM 180 C SER A 15 3.603 0.441 9.491 1.00 0.00 C ATOM 181 O SER A 15 3.990 -0.541 8.856 1.00 0.00 O ATOM 182 CB SER A 15 2.754 0.085 11.817 1.00 0.00 C ATOM 183 OG SER A 15 3.286 -1.222 11.939 1.00 0.00 O ATOM 0 H SER A 15 1.863 -1.466 9.520 1.00 0.00 H new ATOM 0 HA SER A 15 1.861 1.356 10.330 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.491 0.814 12.154 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.884 0.189 12.465 1.00 0.00 H new ATOM 0 HG SER A 15 3.533 -1.389 12.873 1.00 0.00 H new ATOM 189 N PRO A 16 4.247 1.617 9.451 1.00 0.00 N ATOM 190 CA PRO A 16 3.795 2.792 10.202 1.00 0.00 C ATOM 191 C PRO A 16 2.499 3.372 9.646 1.00 0.00 C ATOM 192 O PRO A 16 2.245 3.309 8.443 1.00 0.00 O ATOM 193 CB PRO A 16 4.944 3.788 10.027 1.00 0.00 C ATOM 194 CG PRO A 16 5.604 3.385 8.754 1.00 0.00 C ATOM 195 CD PRO A 16 5.465 1.890 8.670 1.00 0.00 C ATOM 0 HA PRO A 16 3.576 2.551 11.242 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.575 4.812 9.975 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.639 3.742 10.865 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.132 3.869 7.899 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.653 3.680 8.748 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.365 1.553 7.638 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.333 1.381 9.089 1.00 0.00 H new ATOM 203 N SER A 17 1.682 3.936 10.530 1.00 0.00 N ATOM 204 CA SER A 17 0.409 4.525 10.127 1.00 0.00 C ATOM 205 C SER A 17 0.592 5.444 8.923 1.00 0.00 C ATOM 206 O SER A 17 -0.288 5.550 8.071 1.00 0.00 O ATOM 207 CB SER A 17 -0.206 5.305 11.290 1.00 0.00 C ATOM 208 OG SER A 17 0.747 6.168 11.887 1.00 0.00 O ATOM 0 H SER A 17 1.878 3.998 11.529 1.00 0.00 H new ATOM 0 HA SER A 17 -0.265 3.716 9.845 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.055 5.888 10.932 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.589 4.609 12.036 1.00 0.00 H new ATOM 0 HG SER A 17 0.328 6.656 12.626 1.00 0.00 H new ATOM 214 N ALA A 18 1.743 6.105 8.862 1.00 0.00 N ATOM 215 CA ALA A 18 2.044 7.014 7.762 1.00 0.00 C ATOM 216 C ALA A 18 3.524 6.964 7.398 1.00 0.00 C ATOM 217 O ALA A 18 4.365 6.608 8.225 1.00 0.00 O ATOM 218 CB ALA A 18 1.635 8.434 8.124 1.00 0.00 C ATOM 0 H ALA A 18 2.482 6.028 9.561 1.00 0.00 H new ATOM 0 HA ALA A 18 1.472 6.694 6.891 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.865 9.102 7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.565 8.464 8.327 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.182 8.755 9.011 1.00 0.00 H new ATOM 224 N CYS A 19 3.836 7.322 6.157 1.00 0.00 N ATOM 225 CA CYS A 19 5.215 7.317 5.684 1.00 0.00 C ATOM 226 C CYS A 19 5.489 8.524 4.793 1.00 0.00 C ATOM 227 O CYS A 19 4.611 9.360 4.576 1.00 0.00 O ATOM 228 CB CYS A 19 5.508 6.026 4.917 1.00 0.00 C ATOM 229 SG CYS A 19 4.822 5.989 3.245 1.00 0.00 S ATOM 0 H CYS A 19 3.152 7.619 5.461 1.00 0.00 H new ATOM 0 HA CYS A 19 5.871 7.373 6.553 1.00 0.00 H new ATOM 0 HB2 CYS A 19 6.588 5.888 4.858 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.109 5.183 5.481 1.00 0.00 H new ATOM 0 HG CYS A 19 5.390 6.909 2.523 1.00 0.00 H new ATOM 235 N SER A 20 6.713 8.611 4.282 1.00 0.00 N ATOM 236 CA SER A 20 7.104 9.719 3.419 1.00 0.00 C ATOM 237 C SER A 20 6.677 9.463 1.977 1.00 0.00 C ATOM 238 O SER A 20 6.296 8.348 1.620 1.00 0.00 O ATOM 239 CB SER A 20 8.618 9.934 3.485 1.00 0.00 C ATOM 240 OG SER A 20 9.015 10.376 4.771 1.00 0.00 O ATOM 0 H SER A 20 7.451 7.927 4.451 1.00 0.00 H new ATOM 0 HA SER A 20 6.600 10.618 3.773 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.131 9.004 3.242 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.917 10.668 2.737 1.00 0.00 H new ATOM 0 HG SER A 20 9.986 10.504 4.787 1.00 0.00 H new ATOM 246 N VAL A 21 6.745 10.503 1.153 1.00 0.00 N ATOM 247 CA VAL A 21 6.366 10.392 -0.251 1.00 0.00 C ATOM 248 C VAL A 21 7.473 9.734 -1.068 1.00 0.00 C ATOM 249 O VAL A 21 7.220 9.167 -2.131 1.00 0.00 O ATOM 250 CB VAL A 21 6.047 11.772 -0.857 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.659 12.231 -0.437 1.00 0.00 C ATOM 252 CG2 VAL A 21 7.101 12.790 -0.448 1.00 0.00 C ATOM 0 H VAL A 21 7.059 11.432 1.433 1.00 0.00 H new ATOM 0 HA VAL A 21 5.471 9.771 -0.290 1.00 0.00 H new ATOM 0 HB VAL A 21 6.062 11.685 -1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.451 13.207 -0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.917 11.512 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.613 12.303 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.860 13.759 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.121 12.877 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.079 12.465 -0.804 1.00 0.00 H new ATOM 262 N ARG A 22 8.700 9.814 -0.564 1.00 0.00 N ATOM 263 CA ARG A 22 9.846 9.227 -1.247 1.00 0.00 C ATOM 264 C ARG A 22 9.779 7.703 -1.209 1.00 0.00 C ATOM 265 O ARG A 22 10.080 7.033 -2.197 1.00 0.00 O ATOM 266 CB ARG A 22 11.150 9.706 -0.606 1.00 0.00 C ATOM 267 CG ARG A 22 11.443 11.178 -0.849 1.00 0.00 C ATOM 268 CD ARG A 22 12.938 11.455 -0.851 1.00 0.00 C ATOM 269 NE ARG A 22 13.237 12.842 -0.504 1.00 0.00 N ATOM 270 CZ ARG A 22 14.458 13.363 -0.549 1.00 0.00 C ATOM 271 NH1 ARG A 22 15.488 12.617 -0.925 1.00 0.00 N ATOM 272 NH2 ARG A 22 14.651 14.634 -0.217 1.00 0.00 N ATOM 0 H ARG A 22 8.926 10.280 0.315 1.00 0.00 H new ATOM 0 HA ARG A 22 9.821 9.550 -2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.105 9.526 0.468 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.976 9.111 -0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.014 11.483 -1.804 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.962 11.778 -0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.431 10.789 -0.143 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.347 11.231 -1.836 1.00 0.00 H new ATOM 0 HE ARG A 22 12.467 13.443 -0.211 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.344 11.640 -1.181 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.424 13.020 -0.959 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.861 15.211 0.073 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.589 15.033 -0.252 1.00 0.00 H new ATOM 286 N GLY A 23 9.382 7.161 -0.062 1.00 0.00 N ATOM 287 CA GLY A 23 9.284 5.720 0.083 1.00 0.00 C ATOM 288 C GLY A 23 10.588 5.092 0.533 1.00 0.00 C ATOM 289 O GLY A 23 11.457 5.771 1.078 1.00 0.00 O ATOM 0 H GLY A 23 9.126 7.694 0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.502 5.483 0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.983 5.282 -0.869 1.00 0.00 H new ATOM 293 N GLY A 24 10.726 3.789 0.304 1.00 0.00 N ATOM 294 CA GLY A 24 11.936 3.091 0.697 1.00 0.00 C ATOM 295 C GLY A 24 11.926 2.693 2.160 1.00 0.00 C ATOM 296 O GLY A 24 12.978 2.449 2.749 1.00 0.00 O ATOM 0 H GLY A 24 10.021 3.205 -0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.053 2.199 0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.799 3.728 0.503 1.00 0.00 H new ATOM 300 N GLU A 25 10.735 2.629 2.747 1.00 0.00 N ATOM 301 CA GLU A 25 10.595 2.261 4.151 1.00 0.00 C ATOM 302 C GLU A 25 9.958 0.881 4.290 1.00 0.00 C ATOM 303 O GLU A 25 9.431 0.330 3.324 1.00 0.00 O ATOM 304 CB GLU A 25 9.752 3.301 4.892 1.00 0.00 C ATOM 305 CG GLU A 25 10.446 4.642 5.057 1.00 0.00 C ATOM 306 CD GLU A 25 10.886 5.237 3.733 1.00 0.00 C ATOM 307 OE1 GLU A 25 10.051 5.881 3.064 1.00 0.00 O ATOM 308 OE2 GLU A 25 12.067 5.059 3.367 1.00 0.00 O ATOM 0 H GLU A 25 9.854 2.827 2.273 1.00 0.00 H new ATOM 0 HA GLU A 25 11.591 2.229 4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.817 3.450 4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.493 2.912 5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.772 5.337 5.557 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.315 4.520 5.703 1.00 0.00 H new ATOM 315 N GLU A 26 10.013 0.330 5.498 1.00 0.00 N ATOM 316 CA GLU A 26 9.443 -0.986 5.763 1.00 0.00 C ATOM 317 C GLU A 26 7.988 -0.869 6.209 1.00 0.00 C ATOM 318 O GLU A 26 7.662 -0.090 7.106 1.00 0.00 O ATOM 319 CB GLU A 26 10.259 -1.713 6.834 1.00 0.00 C ATOM 320 CG GLU A 26 9.566 -2.943 7.397 1.00 0.00 C ATOM 321 CD GLU A 26 8.652 -2.616 8.562 1.00 0.00 C ATOM 322 OE1 GLU A 26 9.142 -2.592 9.711 1.00 0.00 O ATOM 323 OE2 GLU A 26 7.448 -2.384 8.326 1.00 0.00 O ATOM 0 H GLU A 26 10.446 0.774 6.308 1.00 0.00 H new ATOM 0 HA GLU A 26 9.476 -1.561 4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.218 -2.009 6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.471 -1.021 7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.986 -3.421 6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.318 -3.663 7.721 1.00 0.00 H new ATOM 330 N LEU A 27 7.118 -1.648 5.576 1.00 0.00 N ATOM 331 CA LEU A 27 5.697 -1.633 5.906 1.00 0.00 C ATOM 332 C LEU A 27 5.205 -3.033 6.260 1.00 0.00 C ATOM 333 O LEU A 27 5.147 -3.917 5.405 1.00 0.00 O ATOM 334 CB LEU A 27 4.887 -1.077 4.733 1.00 0.00 C ATOM 335 CG LEU A 27 3.372 -1.015 4.933 1.00 0.00 C ATOM 336 CD1 LEU A 27 3.016 0.010 5.998 1.00 0.00 C ATOM 337 CD2 LEU A 27 2.674 -0.689 3.621 1.00 0.00 C ATOM 0 H LEU A 27 7.371 -2.298 4.832 1.00 0.00 H new ATOM 0 HA LEU A 27 5.558 -0.989 6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.246 -0.071 4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.093 -1.687 3.854 1.00 0.00 H new ATOM 0 HG LEU A 27 3.029 -1.993 5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.934 0.040 6.127 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.486 -0.267 6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.372 0.993 5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.597 -0.649 3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.022 0.276 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.902 -1.461 2.886 1.00 0.00 H new ATOM 349 N VAL A 28 4.850 -3.227 7.526 1.00 0.00 N ATOM 350 CA VAL A 28 4.359 -4.518 7.993 1.00 0.00 C ATOM 351 C VAL A 28 2.840 -4.515 8.122 1.00 0.00 C ATOM 352 O VAL A 28 2.283 -3.878 9.017 1.00 0.00 O ATOM 353 CB VAL A 28 4.978 -4.895 9.353 1.00 0.00 C ATOM 354 CG1 VAL A 28 4.446 -6.238 9.827 1.00 0.00 C ATOM 355 CG2 VAL A 28 6.496 -4.916 9.259 1.00 0.00 C ATOM 0 H VAL A 28 4.893 -2.506 8.247 1.00 0.00 H new ATOM 0 HA VAL A 28 4.656 -5.257 7.249 1.00 0.00 H new ATOM 0 HB VAL A 28 4.693 -4.140 10.085 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.894 -6.488 10.789 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.363 -6.183 9.935 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.699 -7.008 9.098 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.917 -5.184 10.228 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.804 -5.650 8.514 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.856 -3.929 8.967 1.00 0.00 H new ATOM 365 N LEU A 29 2.175 -5.231 7.223 1.00 0.00 N ATOM 366 CA LEU A 29 0.718 -5.312 7.235 1.00 0.00 C ATOM 367 C LEU A 29 0.245 -6.470 8.107 1.00 0.00 C ATOM 368 O LEU A 29 0.400 -7.637 7.747 1.00 0.00 O ATOM 369 CB LEU A 29 0.185 -5.479 5.811 1.00 0.00 C ATOM 370 CG LEU A 29 0.273 -4.246 4.912 1.00 0.00 C ATOM 371 CD1 LEU A 29 -0.071 -4.607 3.475 1.00 0.00 C ATOM 372 CD2 LEU A 29 -0.648 -3.147 5.422 1.00 0.00 C ATOM 0 H LEU A 29 2.621 -5.764 6.476 1.00 0.00 H new ATOM 0 HA LEU A 29 0.330 -4.384 7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.732 -6.292 5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.859 -5.788 5.869 1.00 0.00 H new ATOM 0 HG LEU A 29 1.298 -3.875 4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.003 -3.717 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.628 -5.360 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.085 -5.004 3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.572 -2.277 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.677 -3.508 5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.356 -2.868 6.434 1.00 0.00 H new ATOM 384 N THR A 30 -0.336 -6.140 9.257 1.00 0.00 N ATOM 385 CA THR A 30 -0.833 -7.152 10.181 1.00 0.00 C ATOM 386 C THR A 30 -2.209 -7.654 9.757 1.00 0.00 C ATOM 387 O THR A 30 -3.096 -6.865 9.434 1.00 0.00 O ATOM 388 CB THR A 30 -0.918 -6.606 11.619 1.00 0.00 C ATOM 389 OG1 THR A 30 0.238 -5.814 11.911 1.00 0.00 O ATOM 390 CG2 THR A 30 -1.027 -7.744 12.623 1.00 0.00 C ATOM 0 H THR A 30 -0.474 -5.179 9.570 1.00 0.00 H new ATOM 0 HA THR A 30 -0.124 -7.979 10.156 1.00 0.00 H new ATOM 0 HB THR A 30 -1.811 -5.986 11.698 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.176 -5.469 12.826 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.086 -7.335 13.632 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.924 -8.328 12.415 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.150 -8.386 12.542 1.00 0.00 H new ATOM 398 N GLY A 31 -2.380 -8.972 9.763 1.00 0.00 N ATOM 399 CA GLY A 31 -3.651 -9.557 9.378 1.00 0.00 C ATOM 400 C GLY A 31 -3.604 -11.071 9.335 1.00 0.00 C ATOM 401 O GLY A 31 -2.983 -11.704 10.189 1.00 0.00 O ATOM 0 H GLY A 31 -1.661 -9.645 10.028 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.421 -9.241 10.082 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.940 -9.178 8.398 1.00 0.00 H new ATOM 405 N SER A 32 -4.263 -11.654 8.338 1.00 0.00 N ATOM 406 CA SER A 32 -4.298 -13.105 8.191 1.00 0.00 C ATOM 407 C SER A 32 -4.843 -13.498 6.821 1.00 0.00 C ATOM 408 O SER A 32 -5.513 -12.708 6.157 1.00 0.00 O ATOM 409 CB SER A 32 -5.156 -13.730 9.292 1.00 0.00 C ATOM 410 OG SER A 32 -4.475 -13.724 10.535 1.00 0.00 O ATOM 0 H SER A 32 -4.779 -11.145 7.621 1.00 0.00 H new ATOM 0 HA SER A 32 -3.278 -13.480 8.279 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.092 -13.180 9.384 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.413 -14.754 9.020 1.00 0.00 H new ATOM 0 HG SER A 32 -3.630 -13.237 10.443 1.00 0.00 H new ATOM 416 N ASN A 33 -4.550 -14.726 6.405 1.00 0.00 N ATOM 417 CA ASN A 33 -5.009 -15.225 5.114 1.00 0.00 C ATOM 418 C ASN A 33 -4.223 -14.587 3.973 1.00 0.00 C ATOM 419 O ASN A 33 -4.794 -14.187 2.959 1.00 0.00 O ATOM 420 CB ASN A 33 -6.503 -14.946 4.938 1.00 0.00 C ATOM 421 CG ASN A 33 -7.179 -15.963 4.038 1.00 0.00 C ATOM 422 OD1 ASN A 33 -6.646 -16.333 2.992 1.00 0.00 O ATOM 423 ND2 ASN A 33 -8.358 -16.419 4.443 1.00 0.00 N ATOM 0 H ASN A 33 -3.997 -15.393 6.943 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.842 -16.302 5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.988 -14.950 5.914 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.637 -13.949 4.519 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.860 -17.105 3.880 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.761 -16.084 5.318 1.00 0.00 H new ATOM 430 N PHE A 34 -2.908 -14.496 4.145 1.00 0.00 N ATOM 431 CA PHE A 34 -2.043 -13.906 3.131 1.00 0.00 C ATOM 432 C PHE A 34 -1.330 -14.990 2.327 1.00 0.00 C ATOM 433 O PHE A 34 -1.112 -16.099 2.816 1.00 0.00 O ATOM 434 CB PHE A 34 -1.014 -12.980 3.783 1.00 0.00 C ATOM 435 CG PHE A 34 -1.621 -11.754 4.404 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.579 -11.019 3.725 1.00 0.00 C ATOM 437 CD2 PHE A 34 -1.231 -11.336 5.666 1.00 0.00 C ATOM 438 CE1 PHE A 34 -3.140 -9.891 4.294 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.788 -10.209 6.240 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.742 -9.485 5.552 1.00 0.00 C ATOM 0 H PHE A 34 -2.419 -14.824 4.978 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.666 -13.324 2.452 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.471 -13.535 4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.285 -12.675 3.033 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.891 -11.331 2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.483 -11.897 6.207 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.888 -9.328 3.755 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.478 -9.895 7.226 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.176 -8.602 5.998 1.00 0.00 H new ATOM 450 N LEU A 35 -0.971 -14.662 1.091 1.00 0.00 N ATOM 451 CA LEU A 35 -0.283 -15.606 0.217 1.00 0.00 C ATOM 452 C LEU A 35 1.055 -15.042 -0.249 1.00 0.00 C ATOM 453 O LEU A 35 1.228 -13.832 -0.398 1.00 0.00 O ATOM 454 CB LEU A 35 -1.157 -15.942 -0.992 1.00 0.00 C ATOM 455 CG LEU A 35 -2.304 -16.921 -0.741 1.00 0.00 C ATOM 456 CD1 LEU A 35 -3.401 -16.737 -1.778 1.00 0.00 C ATOM 457 CD2 LEU A 35 -1.793 -18.355 -0.753 1.00 0.00 C ATOM 0 H LEU A 35 -1.145 -13.749 0.671 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.094 -16.517 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.577 -15.014 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.518 -16.355 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.724 -16.713 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.208 -17.443 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.787 -15.719 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.995 -16.917 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.623 -19.038 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.347 -18.574 -1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.043 -18.481 0.028 1.00 0.00 H new ATOM 469 N PRO A 36 2.024 -15.938 -0.487 1.00 0.00 N ATOM 470 CA PRO A 36 3.364 -15.553 -0.942 1.00 0.00 C ATOM 471 C PRO A 36 3.361 -15.029 -2.374 1.00 0.00 C ATOM 472 O PRO A 36 4.386 -14.572 -2.880 1.00 0.00 O ATOM 473 CB PRO A 36 4.158 -16.858 -0.851 1.00 0.00 C ATOM 474 CG PRO A 36 3.135 -17.934 -0.975 1.00 0.00 C ATOM 475 CD PRO A 36 1.888 -17.395 -0.330 1.00 0.00 C ATOM 0 HA PRO A 36 3.781 -14.743 -0.344 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.901 -16.925 -1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.695 -16.929 0.095 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.957 -18.184 -2.021 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.467 -18.847 -0.481 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.989 -17.769 -0.819 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.823 -17.682 0.720 1.00 0.00 H new ATOM 483 N ASP A 37 2.203 -15.099 -3.022 1.00 0.00 N ATOM 484 CA ASP A 37 2.066 -14.631 -4.396 1.00 0.00 C ATOM 485 C ASP A 37 1.152 -13.412 -4.467 1.00 0.00 C ATOM 486 O ASP A 37 0.929 -12.852 -5.540 1.00 0.00 O ATOM 487 CB ASP A 37 1.518 -15.747 -5.286 1.00 0.00 C ATOM 488 CG ASP A 37 0.004 -15.820 -5.256 1.00 0.00 C ATOM 489 OD1 ASP A 37 -0.539 -16.517 -4.373 1.00 0.00 O ATOM 490 OD2 ASP A 37 -0.638 -15.182 -6.116 1.00 0.00 O ATOM 0 H ASP A 37 1.346 -15.475 -2.617 1.00 0.00 H new ATOM 0 HA ASP A 37 3.054 -14.343 -4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.851 -15.587 -6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.931 -16.702 -4.962 1.00 0.00 H new ATOM 495 N SER A 38 0.625 -13.006 -3.316 1.00 0.00 N ATOM 496 CA SER A 38 -0.269 -11.857 -3.247 1.00 0.00 C ATOM 497 C SER A 38 0.425 -10.597 -3.757 1.00 0.00 C ATOM 498 O SER A 38 1.653 -10.510 -3.763 1.00 0.00 O ATOM 499 CB SER A 38 -0.749 -11.642 -1.810 1.00 0.00 C ATOM 500 OG SER A 38 -1.486 -12.760 -1.346 1.00 0.00 O ATOM 0 H SER A 38 0.802 -13.457 -2.418 1.00 0.00 H new ATOM 0 HA SER A 38 -1.130 -12.060 -3.884 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.108 -11.472 -1.159 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.370 -10.747 -1.761 1.00 0.00 H new ATOM 0 HG SER A 38 -1.951 -13.181 -2.099 1.00 0.00 H new ATOM 506 N LYS A 39 -0.371 -9.623 -4.186 1.00 0.00 N ATOM 507 CA LYS A 39 0.164 -8.367 -4.697 1.00 0.00 C ATOM 508 C LYS A 39 -0.442 -7.177 -3.960 1.00 0.00 C ATOM 509 O LYS A 39 -1.593 -7.223 -3.527 1.00 0.00 O ATOM 510 CB LYS A 39 -0.111 -8.245 -6.198 1.00 0.00 C ATOM 511 CG LYS A 39 0.718 -7.172 -6.883 1.00 0.00 C ATOM 512 CD LYS A 39 0.960 -7.505 -8.346 1.00 0.00 C ATOM 513 CE LYS A 39 1.130 -6.246 -9.182 1.00 0.00 C ATOM 514 NZ LYS A 39 1.428 -6.563 -10.607 1.00 0.00 N ATOM 0 H LYS A 39 -1.389 -9.680 -4.190 1.00 0.00 H new ATOM 0 HA LYS A 39 1.241 -8.365 -4.530 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.087 -9.205 -6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.168 -8.027 -6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.207 -6.212 -6.807 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.674 -7.066 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.851 -8.126 -8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.124 -8.089 -8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.221 -5.647 -9.125 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.937 -5.641 -8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.537 -5.679 -11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.309 -7.113 -10.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.647 -7.119 -11.010 1.00 0.00 H new ATOM 528 N VAL A 40 0.341 -6.112 -3.821 1.00 0.00 N ATOM 529 CA VAL A 40 -0.120 -4.909 -3.138 1.00 0.00 C ATOM 530 C VAL A 40 0.070 -3.674 -4.012 1.00 0.00 C ATOM 531 O VAL A 40 1.193 -3.320 -4.370 1.00 0.00 O ATOM 532 CB VAL A 40 0.625 -4.700 -1.806 1.00 0.00 C ATOM 533 CG1 VAL A 40 0.152 -3.425 -1.124 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.434 -5.903 -0.895 1.00 0.00 C ATOM 0 H VAL A 40 1.297 -6.058 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.182 -5.048 -2.935 1.00 0.00 H new ATOM 0 HB VAL A 40 1.689 -4.598 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.689 -3.294 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.344 -2.572 -1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.917 -3.495 -0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.967 -5.738 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.628 -6.039 -0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.826 -6.795 -1.384 1.00 0.00 H new ATOM 544 N VAL A 41 -1.037 -3.022 -4.353 1.00 0.00 N ATOM 545 CA VAL A 41 -0.994 -1.825 -5.185 1.00 0.00 C ATOM 546 C VAL A 41 -1.711 -0.661 -4.510 1.00 0.00 C ATOM 547 O VAL A 41 -2.703 -0.853 -3.806 1.00 0.00 O ATOM 548 CB VAL A 41 -1.632 -2.077 -6.564 1.00 0.00 C ATOM 549 CG1 VAL A 41 -1.099 -3.365 -7.172 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.148 -2.119 -6.450 1.00 0.00 C ATOM 0 H VAL A 41 -1.975 -3.303 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 41 0.057 -1.571 -5.321 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.363 -1.253 -7.225 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.561 -3.526 -8.146 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.018 -3.291 -7.291 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.335 -4.202 -6.515 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.582 -2.298 -7.434 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.440 -2.922 -5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.510 -1.167 -6.061 1.00 0.00 H new ATOM 560 N PHE A 42 -1.204 0.547 -4.730 1.00 0.00 N ATOM 561 CA PHE A 42 -1.795 1.743 -4.143 1.00 0.00 C ATOM 562 C PHE A 42 -2.657 2.481 -5.164 1.00 0.00 C ATOM 563 O PHE A 42 -2.585 2.211 -6.363 1.00 0.00 O ATOM 564 CB PHE A 42 -0.700 2.674 -3.616 1.00 0.00 C ATOM 565 CG PHE A 42 -0.077 2.200 -2.334 1.00 0.00 C ATOM 566 CD1 PHE A 42 0.700 1.053 -2.309 1.00 0.00 C ATOM 567 CD2 PHE A 42 -0.267 2.902 -1.155 1.00 0.00 C ATOM 568 CE1 PHE A 42 1.274 0.614 -1.131 1.00 0.00 C ATOM 569 CE2 PHE A 42 0.305 2.468 0.026 1.00 0.00 C ATOM 570 CZ PHE A 42 1.077 1.323 0.038 1.00 0.00 C ATOM 0 H PHE A 42 -0.384 0.724 -5.311 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.430 1.434 -3.313 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.077 2.773 -4.374 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.122 3.667 -3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.859 0.496 -3.220 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.869 3.799 -1.159 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.876 -0.283 -1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.148 3.024 0.939 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.526 0.983 0.959 1.00 0.00 H new ATOM 580 N ILE A 43 -3.472 3.412 -4.679 1.00 0.00 N ATOM 581 CA ILE A 43 -4.347 4.188 -5.548 1.00 0.00 C ATOM 582 C ILE A 43 -4.359 5.659 -5.145 1.00 0.00 C ATOM 583 O ILE A 43 -3.895 6.019 -4.063 1.00 0.00 O ATOM 584 CB ILE A 43 -5.790 3.649 -5.521 1.00 0.00 C ATOM 585 CG1 ILE A 43 -6.358 3.721 -4.103 1.00 0.00 C ATOM 586 CG2 ILE A 43 -5.831 2.220 -6.042 1.00 0.00 C ATOM 587 CD1 ILE A 43 -7.869 3.678 -4.054 1.00 0.00 C ATOM 0 H ILE A 43 -3.544 3.647 -3.689 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.951 4.094 -6.559 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.407 4.270 -6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.960 2.892 -3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.013 4.640 -3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.857 1.853 -6.017 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.462 2.196 -7.067 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.203 1.586 -5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.201 3.733 -3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.275 4.523 -4.611 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.221 2.747 -4.499 1.00 0.00 H new ATOM 599 N GLU A 44 -4.893 6.503 -6.021 1.00 0.00 N ATOM 600 CA GLU A 44 -4.966 7.935 -5.755 1.00 0.00 C ATOM 601 C GLU A 44 -6.235 8.536 -6.352 1.00 0.00 C ATOM 602 O GLU A 44 -6.576 8.272 -7.506 1.00 0.00 O ATOM 603 CB GLU A 44 -3.735 8.645 -6.324 1.00 0.00 C ATOM 604 CG GLU A 44 -3.793 10.158 -6.197 1.00 0.00 C ATOM 605 CD GLU A 44 -2.855 10.860 -7.160 1.00 0.00 C ATOM 606 OE1 GLU A 44 -2.594 10.302 -8.247 1.00 0.00 O ATOM 607 OE2 GLU A 44 -2.382 11.967 -6.828 1.00 0.00 O ATOM 0 H GLU A 44 -5.281 6.221 -6.921 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.992 8.077 -4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.845 8.279 -5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.627 8.381 -7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.813 10.495 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.540 10.443 -5.176 1.00 0.00 H new ATOM 614 N ARG A 45 -6.930 9.344 -5.559 1.00 0.00 N ATOM 615 CA ARG A 45 -8.162 9.981 -6.007 1.00 0.00 C ATOM 616 C ARG A 45 -7.877 11.355 -6.606 1.00 0.00 C ATOM 617 O ARG A 45 -7.103 12.135 -6.053 1.00 0.00 O ATOM 618 CB ARG A 45 -9.146 10.113 -4.843 1.00 0.00 C ATOM 619 CG ARG A 45 -9.922 8.839 -4.553 1.00 0.00 C ATOM 620 CD ARG A 45 -10.778 8.980 -3.304 1.00 0.00 C ATOM 621 NE ARG A 45 -9.969 9.027 -2.089 1.00 0.00 N ATOM 622 CZ ARG A 45 -10.444 9.394 -0.904 1.00 0.00 C ATOM 623 NH1 ARG A 45 -11.716 9.744 -0.775 1.00 0.00 N ATOM 624 NH2 ARG A 45 -9.645 9.412 0.156 1.00 0.00 N ATOM 0 H ARG A 45 -6.661 9.573 -4.602 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.606 9.353 -6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.599 10.407 -3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.850 10.915 -5.063 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.557 8.597 -5.405 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.227 8.009 -4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.377 9.888 -3.376 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.473 8.143 -3.245 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.986 8.764 -2.154 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.333 9.732 -1.587 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.078 10.025 0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.665 9.144 0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.011 9.694 1.066 1.00 0.00 H new ATOM 638 N GLY A 46 -8.509 11.644 -7.740 1.00 0.00 N ATOM 639 CA GLY A 46 -8.310 12.923 -8.394 1.00 0.00 C ATOM 640 C GLY A 46 -9.499 13.849 -8.232 1.00 0.00 C ATOM 641 O GLY A 46 -10.594 13.428 -7.859 1.00 0.00 O ATOM 0 H GLY A 46 -9.155 11.015 -8.217 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.421 13.403 -7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.123 12.760 -9.455 1.00 0.00 H new ATOM 645 N PRO A 47 -9.289 15.144 -8.514 1.00 0.00 N ATOM 646 CA PRO A 47 -10.340 16.159 -8.403 1.00 0.00 C ATOM 647 C PRO A 47 -11.415 15.999 -9.472 1.00 0.00 C ATOM 648 O PRO A 47 -12.354 16.792 -9.545 1.00 0.00 O ATOM 649 CB PRO A 47 -9.584 17.476 -8.597 1.00 0.00 C ATOM 650 CG PRO A 47 -8.381 17.108 -9.394 1.00 0.00 C ATOM 651 CD PRO A 47 -8.008 15.716 -8.963 1.00 0.00 C ATOM 0 HA PRO A 47 -10.871 16.093 -7.454 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.196 18.211 -9.120 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.305 17.917 -7.640 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.595 17.141 -10.462 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.563 17.805 -9.211 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.578 15.143 -9.784 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.270 15.728 -8.161 1.00 0.00 H new ATOM 659 N ASP A 48 -11.271 14.970 -10.300 1.00 0.00 N ATOM 660 CA ASP A 48 -12.232 14.706 -11.365 1.00 0.00 C ATOM 661 C ASP A 48 -13.382 13.843 -10.858 1.00 0.00 C ATOM 662 O ASP A 48 -14.527 14.007 -11.277 1.00 0.00 O ATOM 663 CB ASP A 48 -11.542 14.017 -12.543 1.00 0.00 C ATOM 664 CG ASP A 48 -12.417 13.970 -13.780 1.00 0.00 C ATOM 665 OD1 ASP A 48 -12.551 15.015 -14.452 1.00 0.00 O ATOM 666 OD2 ASP A 48 -12.967 12.889 -14.077 1.00 0.00 O ATOM 0 H ASP A 48 -10.499 14.305 -10.254 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.638 15.661 -11.699 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.616 14.543 -12.776 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.268 13.002 -12.257 1.00 0.00 H new ATOM 671 N GLY A 49 -13.069 12.921 -9.952 1.00 0.00 N ATOM 672 CA GLY A 49 -14.087 12.044 -9.403 1.00 0.00 C ATOM 673 C GLY A 49 -13.677 10.585 -9.439 1.00 0.00 C ATOM 674 O GLY A 49 -14.178 9.772 -8.662 1.00 0.00 O ATOM 0 H GLY A 49 -12.129 12.766 -9.589 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.295 12.334 -8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.013 12.172 -9.964 1.00 0.00 H new ATOM 678 N LYS A 50 -12.763 10.251 -10.344 1.00 0.00 N ATOM 679 CA LYS A 50 -12.285 8.880 -10.479 1.00 0.00 C ATOM 680 C LYS A 50 -10.821 8.772 -10.066 1.00 0.00 C ATOM 681 O LYS A 50 -10.045 9.712 -10.241 1.00 0.00 O ATOM 682 CB LYS A 50 -12.457 8.398 -11.921 1.00 0.00 C ATOM 683 CG LYS A 50 -13.904 8.357 -12.380 1.00 0.00 C ATOM 684 CD LYS A 50 -14.119 7.302 -13.452 1.00 0.00 C ATOM 685 CE LYS A 50 -14.320 5.922 -12.844 1.00 0.00 C ATOM 686 NZ LYS A 50 -13.951 4.837 -13.794 1.00 0.00 N ATOM 0 H LYS A 50 -12.338 10.911 -10.995 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.878 8.248 -9.818 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.893 9.054 -12.584 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.026 7.401 -12.016 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.551 8.149 -11.528 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -14.192 9.334 -12.767 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.989 7.566 -14.054 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.260 7.283 -14.123 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.718 5.833 -11.940 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.362 5.805 -12.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.102 3.913 -13.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.543 4.906 -14.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.950 4.933 -14.059 1.00 0.00 H new ATOM 700 N LEU A 51 -10.449 7.620 -9.520 1.00 0.00 N ATOM 701 CA LEU A 51 -9.076 7.388 -9.084 1.00 0.00 C ATOM 702 C LEU A 51 -8.317 6.542 -10.102 1.00 0.00 C ATOM 703 O LEU A 51 -8.839 5.550 -10.610 1.00 0.00 O ATOM 704 CB LEU A 51 -9.063 6.697 -7.719 1.00 0.00 C ATOM 705 CG LEU A 51 -10.062 5.554 -7.536 1.00 0.00 C ATOM 706 CD1 LEU A 51 -9.716 4.391 -8.453 1.00 0.00 C ATOM 707 CD2 LEU A 51 -10.092 5.099 -6.084 1.00 0.00 C ATOM 0 H LEU A 51 -11.078 6.832 -9.368 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.580 8.355 -9.000 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.060 6.309 -7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.256 7.447 -6.952 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.054 5.918 -7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.438 3.587 -8.309 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.746 4.724 -9.490 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.716 4.027 -8.218 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.808 4.285 -5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.101 4.753 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.388 5.933 -5.447 1.00 0.00 H new ATOM 719 N GLN A 52 -7.083 6.940 -10.392 1.00 0.00 N ATOM 720 CA GLN A 52 -6.252 6.217 -11.348 1.00 0.00 C ATOM 721 C GLN A 52 -4.772 6.395 -11.026 1.00 0.00 C ATOM 722 O GLN A 52 -4.200 7.461 -11.255 1.00 0.00 O ATOM 723 CB GLN A 52 -6.538 6.700 -12.771 1.00 0.00 C ATOM 724 CG GLN A 52 -6.910 8.171 -12.851 1.00 0.00 C ATOM 725 CD GLN A 52 -7.007 8.671 -14.279 1.00 0.00 C ATOM 726 OE1 GLN A 52 -8.085 9.037 -14.750 1.00 0.00 O ATOM 727 NE2 GLN A 52 -5.877 8.691 -14.977 1.00 0.00 N ATOM 0 H GLN A 52 -6.636 7.759 -9.979 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.496 5.157 -11.275 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.658 6.522 -13.390 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.349 6.105 -13.191 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.865 8.328 -12.349 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.167 8.760 -12.314 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.006 8.379 -14.547 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.880 9.019 -15.943 1.00 0.00 H new ATOM 736 N TRP A 53 -4.158 5.345 -10.493 1.00 0.00 N ATOM 737 CA TRP A 53 -2.744 5.385 -10.139 1.00 0.00 C ATOM 738 C TRP A 53 -2.125 3.994 -10.209 1.00 0.00 C ATOM 739 O TRP A 53 -2.536 3.085 -9.488 1.00 0.00 O ATOM 740 CB TRP A 53 -2.565 5.966 -8.735 1.00 0.00 C ATOM 741 CG TRP A 53 -1.137 6.276 -8.398 1.00 0.00 C ATOM 742 CD1 TRP A 53 -0.164 6.693 -9.260 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.524 6.191 -7.107 1.00 0.00 C ATOM 744 NE1 TRP A 53 1.018 6.873 -8.583 1.00 0.00 N ATOM 745 CE2 TRP A 53 0.824 6.572 -7.261 1.00 0.00 C ATOM 746 CE3 TRP A 53 -0.981 5.832 -5.837 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.715 6.603 -6.191 1.00 0.00 C ATOM 748 CZ3 TRP A 53 -0.096 5.862 -4.776 1.00 0.00 C ATOM 749 CH2 TRP A 53 1.239 6.246 -4.958 1.00 0.00 C ATOM 0 H TRP A 53 -4.617 4.456 -10.296 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.233 6.026 -10.858 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.157 6.877 -8.648 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.958 5.259 -8.004 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.303 6.857 -10.318 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.898 7.181 -8.998 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.009 5.536 -5.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.745 6.898 -6.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.439 5.585 -3.790 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.906 6.261 -4.109 1.00 0.00 H new ATOM 760 N GLU A 54 -1.135 3.834 -11.082 1.00 0.00 N ATOM 761 CA GLU A 54 -0.461 2.551 -11.246 1.00 0.00 C ATOM 762 C GLU A 54 0.933 2.586 -10.626 1.00 0.00 C ATOM 763 O GLU A 54 1.872 3.118 -11.216 1.00 0.00 O ATOM 764 CB GLU A 54 -0.363 2.187 -12.729 1.00 0.00 C ATOM 765 CG GLU A 54 -0.067 0.717 -12.976 1.00 0.00 C ATOM 766 CD GLU A 54 0.013 0.379 -14.452 1.00 0.00 C ATOM 767 OE1 GLU A 54 0.378 1.272 -15.246 1.00 0.00 O ATOM 768 OE2 GLU A 54 -0.289 -0.777 -14.814 1.00 0.00 O ATOM 0 H GLU A 54 -0.782 4.576 -11.686 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.050 1.792 -10.731 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.300 2.448 -13.221 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.419 2.789 -13.192 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.875 0.454 -12.495 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.843 0.110 -12.510 1.00 0.00 H new ATOM 775 N GLU A 55 1.057 2.016 -9.431 1.00 0.00 N ATOM 776 CA GLU A 55 2.336 1.983 -8.731 1.00 0.00 C ATOM 777 C GLU A 55 2.549 0.634 -8.050 1.00 0.00 C ATOM 778 O GLU A 55 1.881 0.311 -7.069 1.00 0.00 O ATOM 779 CB GLU A 55 2.403 3.106 -7.694 1.00 0.00 C ATOM 780 CG GLU A 55 2.930 4.418 -8.251 1.00 0.00 C ATOM 781 CD GLU A 55 4.208 4.242 -9.048 1.00 0.00 C ATOM 782 OE1 GLU A 55 5.264 3.992 -8.430 1.00 0.00 O ATOM 783 OE2 GLU A 55 4.152 4.354 -10.291 1.00 0.00 O ATOM 0 H GLU A 55 0.289 1.572 -8.928 1.00 0.00 H new ATOM 0 HA GLU A 55 3.128 2.128 -9.466 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.407 3.270 -7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.040 2.789 -6.868 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.169 4.870 -8.887 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.111 5.111 -7.429 1.00 0.00 H new ATOM 790 N GLU A 56 3.484 -0.148 -8.580 1.00 0.00 N ATOM 791 CA GLU A 56 3.784 -1.462 -8.024 1.00 0.00 C ATOM 792 C GLU A 56 4.677 -1.342 -6.792 1.00 0.00 C ATOM 793 O GLU A 56 5.605 -0.534 -6.762 1.00 0.00 O ATOM 794 CB GLU A 56 4.463 -2.342 -9.075 1.00 0.00 C ATOM 795 CG GLU A 56 3.497 -3.229 -9.843 1.00 0.00 C ATOM 796 CD GLU A 56 4.014 -3.600 -11.220 1.00 0.00 C ATOM 797 OE1 GLU A 56 5.230 -3.850 -11.349 1.00 0.00 O ATOM 798 OE2 GLU A 56 3.202 -3.640 -12.167 1.00 0.00 O ATOM 0 H GLU A 56 4.046 0.105 -9.393 1.00 0.00 H new ATOM 0 HA GLU A 56 2.843 -1.924 -7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.997 -1.705 -9.780 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.208 -2.969 -8.585 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.312 -4.138 -9.271 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.541 -2.716 -9.944 1.00 0.00 H new ATOM 805 N ALA A 57 4.389 -2.151 -5.778 1.00 0.00 N ATOM 806 CA ALA A 57 5.166 -2.136 -4.545 1.00 0.00 C ATOM 807 C ALA A 57 5.920 -3.448 -4.355 1.00 0.00 C ATOM 808 O ALA A 57 5.351 -4.530 -4.505 1.00 0.00 O ATOM 809 CB ALA A 57 4.259 -1.869 -3.353 1.00 0.00 C ATOM 0 H ALA A 57 3.623 -2.825 -5.786 1.00 0.00 H new ATOM 0 HA ALA A 57 5.900 -1.333 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.853 -1.861 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.770 -0.903 -3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.504 -2.652 -3.288 1.00 0.00 H new ATOM 815 N THR A 58 7.204 -3.345 -4.026 1.00 0.00 N ATOM 816 CA THR A 58 8.036 -4.524 -3.817 1.00 0.00 C ATOM 817 C THR A 58 7.519 -5.363 -2.654 1.00 0.00 C ATOM 818 O THR A 58 7.237 -4.840 -1.576 1.00 0.00 O ATOM 819 CB THR A 58 9.501 -4.135 -3.545 1.00 0.00 C ATOM 820 OG1 THR A 58 9.983 -3.280 -4.587 1.00 0.00 O ATOM 821 CG2 THR A 58 10.380 -5.373 -3.451 1.00 0.00 C ATOM 0 H THR A 58 7.690 -2.457 -3.899 1.00 0.00 H new ATOM 0 HA THR A 58 7.988 -5.112 -4.734 1.00 0.00 H new ATOM 0 HB THR A 58 9.543 -3.605 -2.593 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.915 -3.036 -4.405 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.410 -5.074 -3.259 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.028 -6.008 -2.638 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.332 -5.926 -4.389 1.00 0.00 H new ATOM 829 N VAL A 59 7.399 -6.667 -2.879 1.00 0.00 N ATOM 830 CA VAL A 59 6.918 -7.580 -1.848 1.00 0.00 C ATOM 831 C VAL A 59 7.896 -8.729 -1.632 1.00 0.00 C ATOM 832 O VAL A 59 8.126 -9.539 -2.529 1.00 0.00 O ATOM 833 CB VAL A 59 5.537 -8.157 -2.210 1.00 0.00 C ATOM 834 CG1 VAL A 59 5.066 -9.127 -1.137 1.00 0.00 C ATOM 835 CG2 VAL A 59 4.527 -7.037 -2.408 1.00 0.00 C ATOM 0 H VAL A 59 7.628 -7.116 -3.766 1.00 0.00 H new ATOM 0 HA VAL A 59 6.832 -7.002 -0.928 1.00 0.00 H new ATOM 0 HB VAL A 59 5.626 -8.705 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.088 -9.525 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.779 -9.946 -1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.992 -8.606 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.557 -7.463 -2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.439 -6.460 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.861 -6.385 -3.215 1.00 0.00 H new ATOM 845 N ASN A 60 8.470 -8.793 -0.435 1.00 0.00 N ATOM 846 CA ASN A 60 9.424 -9.844 -0.100 1.00 0.00 C ATOM 847 C ASN A 60 8.703 -11.111 0.349 1.00 0.00 C ATOM 848 O ASN A 60 7.966 -11.101 1.335 1.00 0.00 O ATOM 849 CB ASN A 60 10.374 -9.367 1.000 1.00 0.00 C ATOM 850 CG ASN A 60 11.509 -8.520 0.457 1.00 0.00 C ATOM 851 OD1 ASN A 60 11.442 -8.017 -0.664 1.00 0.00 O ATOM 852 ND2 ASN A 60 12.560 -8.360 1.253 1.00 0.00 N ATOM 0 H ASN A 60 8.291 -8.130 0.319 1.00 0.00 H new ATOM 0 HA ASN A 60 10.002 -10.075 -0.995 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.813 -8.790 1.735 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.786 -10.232 1.520 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.355 -7.801 0.942 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.572 -8.796 2.175 1.00 0.00 H new ATOM 859 N ARG A 61 8.921 -12.200 -0.381 1.00 0.00 N ATOM 860 CA ARG A 61 8.291 -13.475 -0.058 1.00 0.00 C ATOM 861 C ARG A 61 9.049 -14.188 1.058 1.00 0.00 C ATOM 862 O ARG A 61 8.459 -14.917 1.857 1.00 0.00 O ATOM 863 CB ARG A 61 8.231 -14.367 -1.299 1.00 0.00 C ATOM 864 CG ARG A 61 7.128 -13.984 -2.272 1.00 0.00 C ATOM 865 CD ARG A 61 7.599 -12.930 -3.262 1.00 0.00 C ATOM 866 NE ARG A 61 8.177 -13.526 -4.463 1.00 0.00 N ATOM 867 CZ ARG A 61 8.903 -12.848 -5.344 1.00 0.00 C ATOM 868 NH1 ARG A 61 9.140 -11.556 -5.158 1.00 0.00 N ATOM 869 NH2 ARG A 61 9.395 -13.461 -6.413 1.00 0.00 N ATOM 0 H ARG A 61 9.529 -12.225 -1.200 1.00 0.00 H new ATOM 0 HA ARG A 61 7.276 -13.274 0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.190 -14.322 -1.815 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.085 -15.401 -0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.795 -14.870 -2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.268 -13.606 -1.719 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.759 -12.294 -3.541 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.339 -12.289 -2.784 1.00 0.00 H new ATOM 0 HE ARG A 61 8.014 -14.518 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.764 -11.082 -4.337 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.698 -11.037 -5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.216 -14.454 -6.559 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.953 -12.939 -7.089 1.00 0.00 H new ATOM 883 N LEU A 62 10.359 -13.973 1.108 1.00 0.00 N ATOM 884 CA LEU A 62 11.198 -14.596 2.126 1.00 0.00 C ATOM 885 C LEU A 62 10.934 -13.984 3.498 1.00 0.00 C ATOM 886 O LEU A 62 11.078 -14.651 4.523 1.00 0.00 O ATOM 887 CB LEU A 62 12.676 -14.440 1.762 1.00 0.00 C ATOM 888 CG LEU A 62 13.275 -15.551 0.899 1.00 0.00 C ATOM 889 CD1 LEU A 62 14.676 -15.175 0.442 1.00 0.00 C ATOM 890 CD2 LEU A 62 13.296 -16.867 1.662 1.00 0.00 C ATOM 0 H LEU A 62 10.863 -13.372 0.456 1.00 0.00 H new ATOM 0 HA LEU A 62 10.950 -15.657 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.803 -13.492 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.252 -14.374 2.685 1.00 0.00 H new ATOM 0 HG LEU A 62 12.648 -15.677 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.086 -15.977 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.633 -14.257 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.314 -15.021 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.726 -17.646 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.899 -16.755 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.279 -17.144 1.938 1.00 0.00 H new ATOM 902 N GLN A 63 10.544 -12.713 3.509 1.00 0.00 N ATOM 903 CA GLN A 63 10.258 -12.013 4.756 1.00 0.00 C ATOM 904 C GLN A 63 8.778 -12.114 5.109 1.00 0.00 C ATOM 905 O GLN A 63 8.420 -12.336 6.266 1.00 0.00 O ATOM 906 CB GLN A 63 10.670 -10.544 4.646 1.00 0.00 C ATOM 907 CG GLN A 63 12.162 -10.344 4.434 1.00 0.00 C ATOM 908 CD GLN A 63 12.987 -10.819 5.614 1.00 0.00 C ATOM 909 OE1 GLN A 63 13.302 -12.004 5.730 1.00 0.00 O ATOM 910 NE2 GLN A 63 13.343 -9.894 6.498 1.00 0.00 N ATOM 0 H GLN A 63 10.419 -12.148 2.669 1.00 0.00 H new ATOM 0 HA GLN A 63 10.835 -12.486 5.551 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.129 -10.085 3.818 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.367 -10.022 5.554 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.473 -10.881 3.538 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.362 -9.287 4.258 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.060 -8.923 6.363 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.899 -10.154 7.312 1.00 0.00 H new ATOM 919 N SER A 64 7.922 -11.949 4.105 1.00 0.00 N ATOM 920 CA SER A 64 6.480 -12.018 4.311 1.00 0.00 C ATOM 921 C SER A 64 6.075 -13.378 4.871 1.00 0.00 C ATOM 922 O SER A 64 6.707 -14.393 4.582 1.00 0.00 O ATOM 923 CB SER A 64 5.743 -11.755 2.996 1.00 0.00 C ATOM 924 OG SER A 64 5.994 -12.785 2.056 1.00 0.00 O ATOM 0 H SER A 64 8.202 -11.767 3.141 1.00 0.00 H new ATOM 0 HA SER A 64 6.204 -11.251 5.034 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.672 -11.683 3.184 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.059 -10.797 2.584 1.00 0.00 H new ATOM 0 HG SER A 64 5.511 -12.594 1.225 1.00 0.00 H new ATOM 930 N ASN A 65 5.017 -13.388 5.676 1.00 0.00 N ATOM 931 CA ASN A 65 4.527 -14.622 6.278 1.00 0.00 C ATOM 932 C ASN A 65 3.101 -14.920 5.824 1.00 0.00 C ATOM 933 O ASN A 65 2.544 -14.209 4.989 1.00 0.00 O ATOM 934 CB ASN A 65 4.579 -14.525 7.804 1.00 0.00 C ATOM 935 CG ASN A 65 5.882 -13.930 8.301 1.00 0.00 C ATOM 936 OD1 ASN A 65 6.843 -13.792 7.545 1.00 0.00 O ATOM 937 ND2 ASN A 65 5.919 -13.573 9.580 1.00 0.00 N ATOM 0 H ASN A 65 4.483 -12.556 5.926 1.00 0.00 H new ATOM 0 HA ASN A 65 5.171 -15.438 5.950 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.747 -13.915 8.155 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.449 -15.519 8.233 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.768 -13.166 9.972 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.098 -13.706 10.171 1.00 0.00 H new ATOM 944 N GLU A 66 2.517 -15.976 6.382 1.00 0.00 N ATOM 945 CA GLU A 66 1.156 -16.367 6.035 1.00 0.00 C ATOM 946 C GLU A 66 0.137 -15.469 6.730 1.00 0.00 C ATOM 947 O GLU A 66 -1.047 -15.475 6.391 1.00 0.00 O ATOM 948 CB GLU A 66 0.908 -17.828 6.417 1.00 0.00 C ATOM 949 CG GLU A 66 0.517 -18.019 7.872 1.00 0.00 C ATOM 950 CD GLU A 66 0.069 -19.435 8.176 1.00 0.00 C ATOM 951 OE1 GLU A 66 0.648 -20.378 7.597 1.00 0.00 O ATOM 952 OE2 GLU A 66 -0.861 -19.601 8.992 1.00 0.00 O ATOM 0 H GLU A 66 2.965 -16.575 7.075 1.00 0.00 H new ATOM 0 HA GLU A 66 1.038 -16.255 4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.120 -18.232 5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.809 -18.406 6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.365 -17.766 8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.287 -17.326 8.122 1.00 0.00 H new ATOM 959 N VAL A 67 0.606 -14.696 7.705 1.00 0.00 N ATOM 960 CA VAL A 67 -0.263 -13.791 8.448 1.00 0.00 C ATOM 961 C VAL A 67 0.276 -12.366 8.421 1.00 0.00 C ATOM 962 O VAL A 67 -0.305 -11.458 9.017 1.00 0.00 O ATOM 963 CB VAL A 67 -0.422 -14.242 9.912 1.00 0.00 C ATOM 964 CG1 VAL A 67 -1.206 -15.542 9.989 1.00 0.00 C ATOM 965 CG2 VAL A 67 0.940 -14.391 10.573 1.00 0.00 C ATOM 0 H VAL A 67 1.583 -14.679 7.998 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.238 -13.816 7.961 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.981 -13.477 10.451 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.308 -15.844 11.031 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.195 -15.397 9.555 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.678 -16.319 9.436 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.810 -14.710 11.607 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.526 -15.136 10.035 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.461 -13.434 10.552 1.00 0.00 H new ATOM 975 N THR A 68 1.393 -12.174 7.725 1.00 0.00 N ATOM 976 CA THR A 68 2.013 -10.859 7.621 1.00 0.00 C ATOM 977 C THR A 68 2.536 -10.608 6.212 1.00 0.00 C ATOM 978 O THR A 68 3.105 -11.501 5.582 1.00 0.00 O ATOM 979 CB THR A 68 3.172 -10.704 8.623 1.00 0.00 C ATOM 980 OG1 THR A 68 2.698 -10.914 9.958 1.00 0.00 O ATOM 981 CG2 THR A 68 3.800 -9.322 8.514 1.00 0.00 C ATOM 0 H THR A 68 1.887 -12.913 7.225 1.00 0.00 H new ATOM 0 HA THR A 68 1.241 -10.126 7.854 1.00 0.00 H new ATOM 0 HB THR A 68 3.930 -11.451 8.386 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.442 -10.815 10.589 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.616 -9.236 9.231 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.186 -9.176 7.505 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.048 -8.563 8.727 1.00 0.00 H new ATOM 989 N LEU A 69 2.342 -9.389 5.722 1.00 0.00 N ATOM 990 CA LEU A 69 2.797 -9.020 4.386 1.00 0.00 C ATOM 991 C LEU A 69 3.886 -7.955 4.455 1.00 0.00 C ATOM 992 O LEU A 69 3.609 -6.782 4.710 1.00 0.00 O ATOM 993 CB LEU A 69 1.622 -8.510 3.549 1.00 0.00 C ATOM 994 CG LEU A 69 0.850 -9.568 2.760 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.353 -8.946 2.068 1.00 0.00 C ATOM 996 CD2 LEU A 69 1.760 -10.246 1.745 1.00 0.00 C ATOM 0 H LEU A 69 1.873 -8.639 6.230 1.00 0.00 H new ATOM 0 HA LEU A 69 3.214 -9.909 3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.924 -7.999 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.998 -7.765 2.848 1.00 0.00 H new ATOM 0 HG LEU A 69 0.491 -10.324 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.890 -9.714 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.016 -8.508 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.016 -8.169 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.194 -10.996 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.149 -9.501 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.589 -10.727 2.264 1.00 0.00 H new ATOM 1008 N THR A 70 5.128 -8.370 4.226 1.00 0.00 N ATOM 1009 CA THR A 70 6.260 -7.453 4.262 1.00 0.00 C ATOM 1010 C THR A 70 6.524 -6.852 2.886 1.00 0.00 C ATOM 1011 O THR A 70 6.919 -7.556 1.955 1.00 0.00 O ATOM 1012 CB THR A 70 7.538 -8.156 4.757 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.345 -8.639 6.091 1.00 0.00 O ATOM 1014 CG2 THR A 70 8.726 -7.206 4.723 1.00 0.00 C ATOM 0 H THR A 70 5.375 -9.336 4.013 1.00 0.00 H new ATOM 0 HA THR A 70 6.000 -6.657 4.960 1.00 0.00 H new ATOM 0 HB THR A 70 7.745 -8.995 4.093 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.161 -9.086 6.398 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.617 -7.725 5.077 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.888 -6.862 3.701 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.525 -6.349 5.366 1.00 0.00 H new ATOM 1022 N LEU A 71 6.305 -5.548 2.763 1.00 0.00 N ATOM 1023 CA LEU A 71 6.521 -4.851 1.499 1.00 0.00 C ATOM 1024 C LEU A 71 7.154 -3.483 1.733 1.00 0.00 C ATOM 1025 O LEU A 71 7.246 -3.014 2.868 1.00 0.00 O ATOM 1026 CB LEU A 71 5.197 -4.692 0.750 1.00 0.00 C ATOM 1027 CG LEU A 71 4.270 -3.585 1.253 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.234 -3.235 0.196 1.00 0.00 C ATOM 1029 CD2 LEU A 71 3.592 -4.005 2.549 1.00 0.00 C ATOM 0 H LEU A 71 5.978 -4.951 3.523 1.00 0.00 H new ATOM 0 HA LEU A 71 7.204 -5.448 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.417 -4.504 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.659 -5.639 0.799 1.00 0.00 H new ATOM 0 HG LEU A 71 4.870 -2.697 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.583 -2.445 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.738 -2.891 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.638 -4.118 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.936 -3.205 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.005 -4.907 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.349 -4.204 3.308 1.00 0.00 H new ATOM 1041 N THR A 72 7.588 -2.846 0.650 1.00 0.00 N ATOM 1042 CA THR A 72 8.212 -1.531 0.736 1.00 0.00 C ATOM 1043 C THR A 72 7.316 -0.457 0.131 1.00 0.00 C ATOM 1044 O THR A 72 6.832 -0.598 -0.992 1.00 0.00 O ATOM 1045 CB THR A 72 9.576 -1.508 0.021 1.00 0.00 C ATOM 1046 OG1 THR A 72 10.449 -2.484 0.600 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.213 -0.130 0.115 1.00 0.00 C ATOM 0 H THR A 72 7.519 -3.219 -0.297 1.00 0.00 H new ATOM 0 HA THR A 72 8.362 -1.321 1.795 1.00 0.00 H new ATOM 0 HB THR A 72 9.414 -1.745 -1.031 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.313 -2.464 0.139 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.175 -0.138 -0.397 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.559 0.606 -0.353 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.362 0.131 1.163 1.00 0.00 H new ATOM 1055 N VAL A 73 7.098 0.618 0.882 1.00 0.00 N ATOM 1056 CA VAL A 73 6.261 1.718 0.419 1.00 0.00 C ATOM 1057 C VAL A 73 6.680 2.180 -0.973 1.00 0.00 C ATOM 1058 O VAL A 73 7.856 2.426 -1.244 1.00 0.00 O ATOM 1059 CB VAL A 73 6.322 2.916 1.385 1.00 0.00 C ATOM 1060 CG1 VAL A 73 5.470 4.065 0.866 1.00 0.00 C ATOM 1061 CG2 VAL A 73 5.878 2.499 2.779 1.00 0.00 C ATOM 0 H VAL A 73 7.490 0.750 1.814 1.00 0.00 H new ATOM 0 HA VAL A 73 5.238 1.343 0.382 1.00 0.00 H new ATOM 0 HB VAL A 73 7.355 3.260 1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.526 4.902 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.839 4.379 -0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.434 3.738 0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.927 3.358 3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.854 2.128 2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.534 1.712 3.150 1.00 0.00 H new ATOM 1071 N PRO A 74 5.697 2.300 -1.877 1.00 0.00 N ATOM 1072 CA PRO A 74 5.940 2.734 -3.256 1.00 0.00 C ATOM 1073 C PRO A 74 6.332 4.205 -3.341 1.00 0.00 C ATOM 1074 O PRO A 74 6.234 4.940 -2.358 1.00 0.00 O ATOM 1075 CB PRO A 74 4.593 2.499 -3.944 1.00 0.00 C ATOM 1076 CG PRO A 74 3.589 2.570 -2.845 1.00 0.00 C ATOM 1077 CD PRO A 74 4.274 2.023 -1.623 1.00 0.00 C ATOM 0 HA PRO A 74 6.768 2.193 -3.713 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.400 3.255 -4.706 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.567 1.530 -4.442 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.261 3.597 -2.682 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.701 1.986 -3.089 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.925 2.513 -0.714 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.088 0.956 -1.502 1.00 0.00 H new ATOM 1085 N GLU A 75 6.775 4.628 -4.521 1.00 0.00 N ATOM 1086 CA GLU A 75 7.181 6.013 -4.732 1.00 0.00 C ATOM 1087 C GLU A 75 6.023 6.843 -5.277 1.00 0.00 C ATOM 1088 O GLU A 75 5.465 6.534 -6.330 1.00 0.00 O ATOM 1089 CB GLU A 75 8.368 6.078 -5.696 1.00 0.00 C ATOM 1090 CG GLU A 75 9.707 5.802 -5.032 1.00 0.00 C ATOM 1091 CD GLU A 75 10.767 5.358 -6.021 1.00 0.00 C ATOM 1092 OE1 GLU A 75 10.756 5.855 -7.166 1.00 0.00 O ATOM 1093 OE2 GLU A 75 11.608 4.513 -5.648 1.00 0.00 O ATOM 0 H GLU A 75 6.862 4.032 -5.344 1.00 0.00 H new ATOM 0 HA GLU A 75 7.480 6.428 -3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.214 5.356 -6.498 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.397 7.065 -6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.047 6.702 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.579 5.032 -4.271 1.00 0.00 H new ATOM 1100 N TYR A 76 5.666 7.897 -4.552 1.00 0.00 N ATOM 1101 CA TYR A 76 4.572 8.771 -4.961 1.00 0.00 C ATOM 1102 C TYR A 76 4.889 9.456 -6.287 1.00 0.00 C ATOM 1103 O TYR A 76 6.018 9.401 -6.773 1.00 0.00 O ATOM 1104 CB TYR A 76 4.301 9.822 -3.883 1.00 0.00 C ATOM 1105 CG TYR A 76 2.908 10.406 -3.944 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.797 9.587 -4.105 1.00 0.00 C ATOM 1107 CD2 TYR A 76 2.702 11.776 -3.841 1.00 0.00 C ATOM 1108 CE1 TYR A 76 0.522 10.116 -4.161 1.00 0.00 C ATOM 1109 CE2 TYR A 76 1.431 12.314 -3.895 1.00 0.00 C ATOM 1110 CZ TYR A 76 0.344 11.480 -4.055 1.00 0.00 C ATOM 1111 OH TYR A 76 -0.924 12.012 -4.111 1.00 0.00 O ATOM 0 H TYR A 76 6.118 8.167 -3.678 1.00 0.00 H new ATOM 0 HA TYR A 76 3.681 8.158 -5.093 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.455 9.372 -2.902 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.028 10.628 -3.982 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.933 8.519 -4.188 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.551 12.432 -3.716 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.331 9.465 -4.287 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.289 13.381 -3.812 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.264 11.950 -5.028 1.00 0.00 H new ATOM 1121 N SER A 77 3.882 10.103 -6.866 1.00 0.00 N ATOM 1122 CA SER A 77 4.050 10.797 -8.138 1.00 0.00 C ATOM 1123 C SER A 77 4.561 12.218 -7.917 1.00 0.00 C ATOM 1124 O SER A 77 5.407 12.707 -8.664 1.00 0.00 O ATOM 1125 CB SER A 77 2.726 10.832 -8.903 1.00 0.00 C ATOM 1126 OG SER A 77 2.805 11.700 -10.019 1.00 0.00 O ATOM 0 H SER A 77 2.942 10.161 -6.475 1.00 0.00 H new ATOM 0 HA SER A 77 4.787 10.251 -8.727 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.469 9.827 -9.238 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.927 11.161 -8.238 1.00 0.00 H new ATOM 0 HG SER A 77 1.947 11.704 -10.492 1.00 0.00 H new ATOM 1132 N ASN A 78 4.039 12.874 -6.886 1.00 0.00 N ATOM 1133 CA ASN A 78 4.441 14.239 -6.567 1.00 0.00 C ATOM 1134 C ASN A 78 5.275 14.276 -5.289 1.00 0.00 C ATOM 1135 O ASN A 78 4.737 14.243 -4.182 1.00 0.00 O ATOM 1136 CB ASN A 78 3.209 15.132 -6.410 1.00 0.00 C ATOM 1137 CG ASN A 78 3.495 16.579 -6.764 1.00 0.00 C ATOM 1138 OD1 ASN A 78 4.652 16.985 -6.878 1.00 0.00 O ATOM 1139 ND2 ASN A 78 2.439 17.365 -6.938 1.00 0.00 N ATOM 0 H ASN A 78 3.337 12.483 -6.258 1.00 0.00 H new ATOM 0 HA ASN A 78 5.051 14.613 -7.389 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.408 14.757 -7.047 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.852 15.076 -5.382 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.569 18.348 -7.176 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.498 16.985 -6.833 1.00 0.00 H new ATOM 1146 N LYS A 79 6.592 14.344 -5.451 1.00 0.00 N ATOM 1147 CA LYS A 79 7.502 14.388 -4.313 1.00 0.00 C ATOM 1148 C LYS A 79 7.758 15.827 -3.875 1.00 0.00 C ATOM 1149 O LYS A 79 7.862 16.113 -2.683 1.00 0.00 O ATOM 1150 CB LYS A 79 8.826 13.708 -4.666 1.00 0.00 C ATOM 1151 CG LYS A 79 8.765 12.191 -4.613 1.00 0.00 C ATOM 1152 CD LYS A 79 10.143 11.571 -4.767 1.00 0.00 C ATOM 1153 CE LYS A 79 10.057 10.136 -5.263 1.00 0.00 C ATOM 1154 NZ LYS A 79 8.848 9.440 -4.740 1.00 0.00 N ATOM 0 H LYS A 79 7.053 14.370 -6.360 1.00 0.00 H new ATOM 0 HA LYS A 79 7.035 13.853 -3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.127 14.016 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.598 14.056 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.328 11.877 -3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.110 11.825 -5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.734 12.164 -5.466 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.663 11.595 -3.809 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.037 10.129 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.950 9.592 -4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.057 8.429 -4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.577 9.855 -3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.065 9.550 -5.415 1.00 0.00 H new ATOM 1168 N ARG A 80 7.856 16.727 -4.847 1.00 0.00 N ATOM 1169 CA ARG A 80 8.099 18.136 -4.562 1.00 0.00 C ATOM 1170 C ARG A 80 6.814 18.832 -4.123 1.00 0.00 C ATOM 1171 O ARG A 80 6.449 19.879 -4.657 1.00 0.00 O ATOM 1172 CB ARG A 80 8.675 18.836 -5.794 1.00 0.00 C ATOM 1173 CG ARG A 80 7.784 18.740 -7.022 1.00 0.00 C ATOM 1174 CD ARG A 80 8.153 19.786 -8.062 1.00 0.00 C ATOM 1175 NE ARG A 80 9.304 19.378 -8.863 1.00 0.00 N ATOM 1176 CZ ARG A 80 9.878 20.156 -9.774 1.00 0.00 C ATOM 1177 NH1 ARG A 80 9.410 21.376 -9.999 1.00 0.00 N ATOM 1178 NH2 ARG A 80 10.922 19.714 -10.463 1.00 0.00 N ATOM 0 H ARG A 80 7.771 16.506 -5.839 1.00 0.00 H new ATOM 0 HA ARG A 80 8.821 18.196 -3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.843 19.887 -5.559 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.647 18.402 -6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.871 17.745 -7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.742 18.869 -6.728 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.300 19.963 -8.717 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.374 20.730 -7.564 1.00 0.00 H new ATOM 0 HE ARG A 80 9.688 18.445 -8.715 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.607 21.719 -9.472 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.853 21.971 -10.699 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.285 18.776 -10.294 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.362 20.312 -11.162 1.00 0.00 H new ATOM 1192 N VAL A 81 6.132 18.242 -3.146 1.00 0.00 N ATOM 1193 CA VAL A 81 4.888 18.804 -2.635 1.00 0.00 C ATOM 1194 C VAL A 81 5.101 19.464 -1.277 1.00 0.00 C ATOM 1195 O VAL A 81 5.851 18.960 -0.441 1.00 0.00 O ATOM 1196 CB VAL A 81 3.796 17.726 -2.504 1.00 0.00 C ATOM 1197 CG1 VAL A 81 3.246 17.354 -3.872 1.00 0.00 C ATOM 1198 CG2 VAL A 81 4.343 16.499 -1.788 1.00 0.00 C ATOM 0 H VAL A 81 6.420 17.375 -2.693 1.00 0.00 H new ATOM 0 HA VAL A 81 4.561 19.555 -3.354 1.00 0.00 H new ATOM 0 HB VAL A 81 2.978 18.132 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.476 16.591 -3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.816 18.237 -4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.052 16.966 -4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.558 15.747 -1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.179 16.089 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.684 16.781 -0.792 1.00 0.00 H new ATOM 1208 N SER A 82 4.435 20.595 -1.063 1.00 0.00 N ATOM 1209 CA SER A 82 4.554 21.326 0.192 1.00 0.00 C ATOM 1210 C SER A 82 3.431 20.944 1.152 1.00 0.00 C ATOM 1211 O SER A 82 3.160 21.653 2.121 1.00 0.00 O ATOM 1212 CB SER A 82 4.528 22.834 -0.067 1.00 0.00 C ATOM 1213 OG SER A 82 5.835 23.337 -0.281 1.00 0.00 O ATOM 0 H SER A 82 3.808 21.024 -1.743 1.00 0.00 H new ATOM 0 HA SER A 82 5.507 21.060 0.650 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.906 23.046 -0.937 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.073 23.344 0.782 1.00 0.00 H new ATOM 0 HG SER A 82 5.791 24.302 -0.446 1.00 0.00 H new ATOM 1219 N ARG A 83 2.781 19.818 0.874 1.00 0.00 N ATOM 1220 CA ARG A 83 1.686 19.342 1.710 1.00 0.00 C ATOM 1221 C ARG A 83 1.487 17.838 1.540 1.00 0.00 C ATOM 1222 O ARG A 83 1.760 17.267 0.484 1.00 0.00 O ATOM 1223 CB ARG A 83 0.392 20.081 1.364 1.00 0.00 C ATOM 1224 CG ARG A 83 -0.206 19.668 0.029 1.00 0.00 C ATOM 1225 CD ARG A 83 -0.985 20.808 -0.608 1.00 0.00 C ATOM 1226 NE ARG A 83 -1.720 20.373 -1.793 1.00 0.00 N ATOM 1227 CZ ARG A 83 -2.761 19.549 -1.750 1.00 0.00 C ATOM 1228 NH1 ARG A 83 -3.186 19.072 -0.588 1.00 0.00 N ATOM 1229 NH2 ARG A 83 -3.378 19.199 -2.872 1.00 0.00 N ATOM 0 H ARG A 83 2.994 19.219 0.076 1.00 0.00 H new ATOM 0 HA ARG A 83 1.943 19.542 2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.340 19.903 2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.589 21.153 1.349 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.590 19.348 -0.644 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.865 18.812 0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.683 21.222 0.120 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.298 21.609 -0.881 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.417 20.721 -2.703 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.713 19.338 0.276 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.986 18.439 -0.558 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.053 19.563 -3.768 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.177 18.566 -2.838 1.00 0.00 H new ATOM 1243 N PRO A 84 1.000 17.182 2.603 1.00 0.00 N ATOM 1244 CA PRO A 84 0.754 15.737 2.597 1.00 0.00 C ATOM 1245 C PRO A 84 -0.418 15.353 1.699 1.00 0.00 C ATOM 1246 O PRO A 84 -1.206 16.206 1.291 1.00 0.00 O ATOM 1247 CB PRO A 84 0.431 15.425 4.060 1.00 0.00 C ATOM 1248 CG PRO A 84 -0.088 16.707 4.615 1.00 0.00 C ATOM 1249 CD PRO A 84 0.652 17.799 3.894 1.00 0.00 C ATOM 0 HA PRO A 84 1.606 15.180 2.207 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -0.310 14.630 4.141 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.318 15.091 4.599 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -1.163 16.794 4.457 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.082 16.764 5.690 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.031 18.685 3.761 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.541 18.112 4.442 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.528 14.063 1.397 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.605 13.566 0.549 1.00 0.00 C ATOM 1259 C VAL A 85 -2.173 12.259 1.092 1.00 0.00 C ATOM 1260 O VAL A 85 -1.429 11.381 1.527 1.00 0.00 O ATOM 1261 CB VAL A 85 -1.124 13.342 -0.897 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -2.290 12.961 -1.795 1.00 0.00 C ATOM 1263 CG2 VAL A 85 -0.419 14.584 -1.422 1.00 0.00 C ATOM 0 H VAL A 85 0.115 13.344 1.727 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.385 14.327 0.550 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.410 12.518 -0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.930 12.807 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.746 12.042 -1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.030 13.761 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.086 14.408 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.108 15.428 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.443 14.807 -0.793 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.497 12.139 1.064 1.00 0.00 N ATOM 1274 CA GLN A 86 -4.165 10.939 1.553 1.00 0.00 C ATOM 1275 C GLN A 86 -4.385 9.939 0.424 1.00 0.00 C ATOM 1276 O GLN A 86 -5.039 10.246 -0.573 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.504 11.302 2.197 1.00 0.00 C ATOM 1278 CG GLN A 86 -6.181 10.133 2.895 1.00 0.00 C ATOM 1279 CD GLN A 86 -6.416 8.957 1.968 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -6.774 9.132 0.803 1.00 0.00 O ATOM 1281 NE2 GLN A 86 -6.217 7.749 2.481 1.00 0.00 N ATOM 0 H GLN A 86 -4.127 12.858 0.708 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.523 10.476 2.302 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.345 12.103 2.919 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.172 11.693 1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.566 9.811 3.735 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.135 10.463 3.306 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.920 7.650 3.452 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.361 6.920 1.904 1.00 0.00 H new ATOM 1290 N VAL A 87 -3.834 8.740 0.585 1.00 0.00 N ATOM 1291 CA VAL A 87 -3.970 7.694 -0.421 1.00 0.00 C ATOM 1292 C VAL A 87 -4.460 6.392 0.203 1.00 0.00 C ATOM 1293 O VAL A 87 -4.560 6.276 1.425 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.636 7.433 -1.144 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -2.160 8.690 -1.857 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.586 6.937 -0.162 1.00 0.00 C ATOM 0 H VAL A 87 -3.289 8.469 1.403 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.704 8.046 -1.146 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.795 6.657 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.216 8.486 -2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.906 8.997 -2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.017 9.489 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.650 6.758 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.428 7.688 0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.927 6.009 0.297 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.764 5.414 -0.643 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.245 4.120 -0.175 1.00 0.00 C ATOM 1308 C TYR A 88 -4.519 2.980 -0.883 1.00 0.00 C ATOM 1309 O TYR A 88 -3.851 3.188 -1.896 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.753 4.000 -0.405 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.584 4.664 0.669 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -7.924 6.008 0.581 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -8.031 3.946 1.771 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -8.682 6.619 1.560 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -8.792 4.548 2.755 1.00 0.00 C ATOM 1316 CZ TYR A 88 -9.114 5.885 2.645 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.872 6.490 3.622 1.00 0.00 O ATOM 0 H TYR A 88 -4.686 5.493 -1.657 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.040 4.049 0.893 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.001 4.442 -1.370 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.021 2.945 -0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.589 6.585 -0.268 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.780 2.899 1.860 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.935 7.666 1.477 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.133 3.975 3.605 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.095 5.835 4.316 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.655 1.774 -0.342 1.00 0.00 N ATOM 1328 CA PHE A 89 -4.013 0.600 -0.919 1.00 0.00 C ATOM 1329 C PHE A 89 -4.784 -0.670 -0.570 1.00 0.00 C ATOM 1330 O PHE A 89 -5.469 -0.731 0.451 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.570 0.486 -0.423 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.450 0.470 1.074 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -2.720 -0.684 1.791 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -2.066 1.609 1.763 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -2.611 -0.701 3.169 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -1.955 1.598 3.141 1.00 0.00 C ATOM 1337 CZ PHE A 89 -2.227 0.441 3.845 1.00 0.00 C ATOM 0 H PHE A 89 -5.205 1.585 0.496 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.010 0.715 -2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.127 -0.425 -0.825 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.992 1.322 -0.817 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.019 -1.580 1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.851 2.516 1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.826 -1.607 3.717 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.656 2.493 3.666 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.140 0.429 4.921 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.667 -1.680 -1.424 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.355 -2.947 -1.208 1.00 0.00 C ATOM 1349 C TYR A 90 -4.470 -4.123 -1.610 1.00 0.00 C ATOM 1350 O TYR A 90 -3.413 -3.941 -2.215 1.00 0.00 O ATOM 1351 CB TYR A 90 -6.662 -2.984 -2.002 1.00 0.00 C ATOM 1352 CG TYR A 90 -6.467 -2.865 -3.496 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.312 -1.624 -4.101 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -6.436 -3.996 -4.304 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -6.134 -1.512 -5.466 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -6.257 -3.893 -5.670 1.00 0.00 C ATOM 1357 CZ TYR A 90 -6.107 -2.649 -6.246 1.00 0.00 C ATOM 1358 OH TYR A 90 -5.928 -2.541 -7.606 1.00 0.00 O ATOM 0 H TYR A 90 -4.102 -1.646 -2.273 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.581 -3.032 -0.145 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.183 -3.917 -1.785 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.306 -2.173 -1.663 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.331 -0.731 -3.493 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.554 -4.972 -3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.017 -0.539 -5.920 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.235 -4.782 -6.283 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.932 -3.435 -8.008 1.00 0.00 H new ATOM 1368 N VAL A 91 -4.911 -5.330 -1.271 1.00 0.00 N ATOM 1369 CA VAL A 91 -4.161 -6.537 -1.597 1.00 0.00 C ATOM 1370 C VAL A 91 -4.948 -7.433 -2.547 1.00 0.00 C ATOM 1371 O VAL A 91 -6.125 -7.713 -2.320 1.00 0.00 O ATOM 1372 CB VAL A 91 -3.807 -7.338 -0.330 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -2.965 -8.555 -0.684 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -3.082 -6.453 0.674 1.00 0.00 C ATOM 0 H VAL A 91 -5.784 -5.498 -0.771 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.240 -6.215 -2.084 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.733 -7.687 0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.725 -9.108 0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.523 -9.198 -1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.043 -8.231 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.839 -7.035 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.163 -6.073 0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.723 -5.617 0.952 1.00 0.00 H new ATOM 1384 N SER A 92 -4.290 -7.880 -3.612 1.00 0.00 N ATOM 1385 CA SER A 92 -4.929 -8.742 -4.599 1.00 0.00 C ATOM 1386 C SER A 92 -4.541 -10.201 -4.378 1.00 0.00 C ATOM 1387 O SER A 92 -3.367 -10.561 -4.450 1.00 0.00 O ATOM 1388 CB SER A 92 -4.540 -8.308 -6.014 1.00 0.00 C ATOM 1389 OG SER A 92 -5.192 -9.104 -6.989 1.00 0.00 O ATOM 0 H SER A 92 -3.315 -7.659 -3.813 1.00 0.00 H new ATOM 0 HA SER A 92 -6.009 -8.649 -4.482 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.802 -7.260 -6.161 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.460 -8.387 -6.138 1.00 0.00 H new ATOM 0 HG SER A 92 -4.928 -8.806 -7.884 1.00 0.00 H new ATOM 1395 N ASN A 93 -5.539 -11.038 -4.109 1.00 0.00 N ATOM 1396 CA ASN A 93 -5.303 -12.458 -3.877 1.00 0.00 C ATOM 1397 C ASN A 93 -6.285 -13.310 -4.676 1.00 0.00 C ATOM 1398 O ASN A 93 -7.444 -13.466 -4.291 1.00 0.00 O ATOM 1399 CB ASN A 93 -5.427 -12.780 -2.386 1.00 0.00 C ATOM 1400 CG ASN A 93 -4.367 -12.084 -1.555 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -3.731 -11.133 -2.009 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -4.172 -12.556 -0.329 1.00 0.00 N ATOM 0 H ASN A 93 -6.518 -10.757 -4.047 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.292 -12.692 -4.210 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.415 -12.482 -2.034 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.348 -13.858 -2.242 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.472 -12.128 0.277 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.722 -13.347 0.007 1.00 0.00 H new ATOM 1409 N GLY A 94 -5.813 -13.860 -5.791 1.00 0.00 N ATOM 1410 CA GLY A 94 -6.662 -14.689 -6.626 1.00 0.00 C ATOM 1411 C GLY A 94 -7.042 -14.006 -7.925 1.00 0.00 C ATOM 1412 O GLY A 94 -6.175 -13.571 -8.682 1.00 0.00 O ATOM 0 H GLY A 94 -4.858 -13.746 -6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.147 -15.624 -6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.567 -14.946 -6.076 1.00 0.00 H new ATOM 1416 N ARG A 95 -8.342 -13.913 -8.184 1.00 0.00 N ATOM 1417 CA ARG A 95 -8.835 -13.282 -9.402 1.00 0.00 C ATOM 1418 C ARG A 95 -9.958 -12.297 -9.087 1.00 0.00 C ATOM 1419 O ARG A 95 -9.960 -11.166 -9.573 1.00 0.00 O ATOM 1420 CB ARG A 95 -9.333 -14.342 -10.386 1.00 0.00 C ATOM 1421 CG ARG A 95 -10.472 -15.189 -9.844 1.00 0.00 C ATOM 1422 CD ARG A 95 -10.943 -16.210 -10.869 1.00 0.00 C ATOM 1423 NE ARG A 95 -11.752 -17.262 -10.260 1.00 0.00 N ATOM 1424 CZ ARG A 95 -12.140 -18.357 -10.905 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -11.794 -18.541 -12.172 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -12.875 -19.270 -10.284 1.00 0.00 N ATOM 0 H ARG A 95 -9.073 -14.267 -7.567 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.010 -12.734 -9.857 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -9.661 -13.850 -11.302 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.502 -14.995 -10.655 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.146 -15.703 -8.940 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.304 -14.544 -9.562 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -11.524 -15.707 -11.642 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.078 -16.656 -11.360 1.00 0.00 H new ATOM 0 HE ARG A 95 -12.035 -17.150 -9.286 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.229 -17.841 -12.653 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.093 -19.382 -12.665 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.143 -19.132 -9.310 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.172 -20.110 -10.781 1.00 0.00 H new ATOM 1440 N ARG A 96 -10.912 -12.736 -8.272 1.00 0.00 N ATOM 1441 CA ARG A 96 -12.041 -11.895 -7.894 1.00 0.00 C ATOM 1442 C ARG A 96 -12.134 -11.758 -6.377 1.00 0.00 C ATOM 1443 O ARG A 96 -13.226 -11.741 -5.810 1.00 0.00 O ATOM 1444 CB ARG A 96 -13.344 -12.476 -8.446 1.00 0.00 C ATOM 1445 CG ARG A 96 -13.604 -13.909 -8.012 1.00 0.00 C ATOM 1446 CD ARG A 96 -14.414 -14.668 -9.051 1.00 0.00 C ATOM 1447 NE ARG A 96 -15.782 -14.167 -9.151 1.00 0.00 N ATOM 1448 CZ ARG A 96 -16.708 -14.369 -8.221 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -16.415 -15.057 -7.127 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -17.931 -13.881 -8.384 1.00 0.00 N ATOM 0 H ARG A 96 -10.925 -13.669 -7.861 1.00 0.00 H new ATOM 0 HA ARG A 96 -11.883 -10.905 -8.321 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -14.176 -11.851 -8.123 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -13.318 -12.434 -9.535 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.654 -14.418 -7.847 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -14.137 -13.911 -7.061 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.926 -14.586 -10.022 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -14.434 -15.727 -8.793 1.00 0.00 H new ATOM 0 HE ARG A 96 -16.040 -13.633 -9.981 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.476 -15.433 -6.997 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -17.129 -15.210 -6.415 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -18.161 -13.350 -9.224 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -18.642 -14.037 -7.669 1.00 0.00 H new ATOM 1464 N LYS A 97 -10.980 -11.662 -5.725 1.00 0.00 N ATOM 1465 CA LYS A 97 -10.929 -11.526 -4.274 1.00 0.00 C ATOM 1466 C LYS A 97 -9.903 -10.476 -3.862 1.00 0.00 C ATOM 1467 O LYS A 97 -8.716 -10.602 -4.165 1.00 0.00 O ATOM 1468 CB LYS A 97 -10.588 -12.871 -3.628 1.00 0.00 C ATOM 1469 CG LYS A 97 -11.537 -13.991 -4.018 1.00 0.00 C ATOM 1470 CD LYS A 97 -12.772 -14.010 -3.133 1.00 0.00 C ATOM 1471 CE LYS A 97 -13.672 -15.192 -3.458 1.00 0.00 C ATOM 1472 NZ LYS A 97 -14.290 -15.064 -4.807 1.00 0.00 N ATOM 0 H LYS A 97 -10.067 -11.676 -6.179 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.911 -11.203 -3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.573 -13.152 -3.908 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.600 -12.757 -2.544 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.836 -13.869 -5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.021 -14.948 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.470 -14.058 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.328 -13.081 -3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.092 -16.114 -3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.456 -15.269 -2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.129 -15.676 -4.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.571 -14.076 -4.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.602 -15.351 -5.533 1.00 0.00 H new ATOM 1486 N ARG A 98 -10.367 -9.443 -3.167 1.00 0.00 N ATOM 1487 CA ARG A 98 -9.488 -8.371 -2.713 1.00 0.00 C ATOM 1488 C ARG A 98 -9.818 -7.970 -1.278 1.00 0.00 C ATOM 1489 O ARG A 98 -10.774 -8.471 -0.687 1.00 0.00 O ATOM 1490 CB ARG A 98 -9.610 -7.157 -3.635 1.00 0.00 C ATOM 1491 CG ARG A 98 -8.680 -7.208 -4.835 1.00 0.00 C ATOM 1492 CD ARG A 98 -9.352 -7.859 -6.034 1.00 0.00 C ATOM 1493 NE ARG A 98 -10.621 -7.216 -6.366 1.00 0.00 N ATOM 1494 CZ ARG A 98 -11.373 -7.567 -7.403 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -10.985 -8.549 -8.205 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -12.515 -6.935 -7.640 1.00 0.00 N ATOM 0 H ARG A 98 -11.346 -9.325 -2.906 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.462 -8.738 -2.743 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.639 -7.080 -3.986 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -9.401 -6.254 -3.062 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.366 -6.197 -5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.779 -7.764 -4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.685 -7.810 -6.894 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.524 -8.915 -5.824 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.947 -6.456 -5.769 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.107 -9.037 -8.026 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.564 -8.817 -9.001 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.816 -6.179 -7.026 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.092 -7.205 -8.437 1.00 0.00 H new ATOM 1510 N SER A 99 -9.019 -7.063 -0.724 1.00 0.00 N ATOM 1511 CA SER A 99 -9.224 -6.597 0.642 1.00 0.00 C ATOM 1512 C SER A 99 -9.701 -5.148 0.657 1.00 0.00 C ATOM 1513 O SER A 99 -9.558 -4.411 -0.319 1.00 0.00 O ATOM 1514 CB SER A 99 -7.929 -6.728 1.447 1.00 0.00 C ATOM 1515 OG SER A 99 -6.793 -6.601 0.609 1.00 0.00 O ATOM 0 H SER A 99 -8.224 -6.637 -1.200 1.00 0.00 H new ATOM 0 HA SER A 99 -9.993 -7.219 1.100 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.900 -5.963 2.223 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.907 -7.694 1.951 1.00 0.00 H new ATOM 0 HG SER A 99 -6.051 -6.215 1.120 1.00 0.00 H new ATOM 1521 N PRO A 100 -10.283 -4.729 1.790 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.793 -3.365 1.961 1.00 0.00 C ATOM 1523 C PRO A 100 -9.673 -2.333 2.038 1.00 0.00 C ATOM 1524 O PRO A 100 -8.766 -2.445 2.864 1.00 0.00 O ATOM 1525 CB PRO A 100 -11.550 -3.434 3.289 1.00 0.00 C ATOM 1526 CG PRO A 100 -10.910 -4.554 4.033 1.00 0.00 C ATOM 1527 CD PRO A 100 -10.487 -5.554 2.993 1.00 0.00 C ATOM 0 HA PRO A 100 -11.410 -3.051 1.119 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.470 -2.497 3.839 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.612 -3.620 3.130 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -10.053 -4.202 4.607 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -11.607 -5.000 4.742 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.574 -6.074 3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.251 -6.315 2.833 1.00 0.00 H new ATOM 1535 N THR A 101 -9.742 -1.326 1.173 1.00 0.00 N ATOM 1536 CA THR A 101 -8.734 -0.274 1.143 1.00 0.00 C ATOM 1537 C THR A 101 -8.476 0.280 2.539 1.00 0.00 C ATOM 1538 O THR A 101 -9.391 0.376 3.357 1.00 0.00 O ATOM 1539 CB THR A 101 -9.155 0.881 0.214 1.00 0.00 C ATOM 1540 OG1 THR A 101 -10.462 1.345 0.570 1.00 0.00 O ATOM 1541 CG2 THR A 101 -9.148 0.436 -1.240 1.00 0.00 C ATOM 0 H THR A 101 -10.486 -1.217 0.484 1.00 0.00 H new ATOM 0 HA THR A 101 -7.819 -0.724 0.759 1.00 0.00 H new ATOM 0 HB THR A 101 -8.437 1.693 0.332 1.00 0.00 H new ATOM 0 HG1 THR A 101 -10.721 2.080 -0.024 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.449 1.268 -1.877 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.145 0.112 -1.516 1.00 0.00 H new ATOM 0 HG23 THR A 101 -9.846 -0.391 -1.371 1.00 0.00 H new ATOM 1549 N GLN A 102 -7.226 0.645 2.805 1.00 0.00 N ATOM 1550 CA GLN A 102 -6.849 1.190 4.104 1.00 0.00 C ATOM 1551 C GLN A 102 -6.482 2.666 3.989 1.00 0.00 C ATOM 1552 O GLN A 102 -5.812 3.077 3.041 1.00 0.00 O ATOM 1553 CB GLN A 102 -5.674 0.404 4.688 1.00 0.00 C ATOM 1554 CG GLN A 102 -6.004 -1.049 4.989 1.00 0.00 C ATOM 1555 CD GLN A 102 -7.201 -1.199 5.907 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -7.054 -1.295 7.126 1.00 0.00 O ATOM 1557 NE2 GLN A 102 -8.395 -1.218 5.326 1.00 0.00 N ATOM 0 H GLN A 102 -6.457 0.573 2.138 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.706 1.099 4.771 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.839 0.441 3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.342 0.890 5.605 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.200 -1.574 4.054 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.138 -1.527 5.447 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.470 -1.135 4.312 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -9.237 -1.315 5.894 1.00 0.00 H new ATOM 1566 N SER A 103 -6.925 3.458 4.960 1.00 0.00 N ATOM 1567 CA SER A 103 -6.646 4.889 4.966 1.00 0.00 C ATOM 1568 C SER A 103 -5.164 5.153 5.209 1.00 0.00 C ATOM 1569 O SER A 103 -4.611 4.757 6.236 1.00 0.00 O ATOM 1570 CB SER A 103 -7.484 5.589 6.038 1.00 0.00 C ATOM 1571 OG SER A 103 -7.188 6.974 6.093 1.00 0.00 O ATOM 0 H SER A 103 -7.479 3.133 5.753 1.00 0.00 H new ATOM 0 HA SER A 103 -6.912 5.290 3.988 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.544 5.449 5.825 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.291 5.134 7.009 1.00 0.00 H new ATOM 0 HG SER A 103 -7.738 7.399 6.784 1.00 0.00 H new ATOM 1577 N PHE A 104 -4.524 5.825 4.258 1.00 0.00 N ATOM 1578 CA PHE A 104 -3.105 6.142 4.367 1.00 0.00 C ATOM 1579 C PHE A 104 -2.830 7.572 3.910 1.00 0.00 C ATOM 1580 O PHE A 104 -3.654 8.188 3.233 1.00 0.00 O ATOM 1581 CB PHE A 104 -2.276 5.161 3.536 1.00 0.00 C ATOM 1582 CG PHE A 104 -0.853 5.036 4.000 1.00 0.00 C ATOM 1583 CD1 PHE A 104 -0.511 4.131 4.993 1.00 0.00 C ATOM 1584 CD2 PHE A 104 0.143 5.822 3.443 1.00 0.00 C ATOM 1585 CE1 PHE A 104 0.797 4.015 5.422 1.00 0.00 C ATOM 1586 CE2 PHE A 104 1.453 5.710 3.868 1.00 0.00 C ATOM 1587 CZ PHE A 104 1.781 4.804 4.858 1.00 0.00 C ATOM 0 H PHE A 104 -4.966 6.161 3.402 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.818 6.053 5.415 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.748 4.179 3.570 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.283 5.483 2.495 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.275 3.510 5.436 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.108 6.531 2.667 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.050 3.308 6.198 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.219 6.330 3.427 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.805 4.713 5.190 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.667 8.093 4.284 1.00 0.00 N ATOM 1598 CA ARG A 105 -1.283 9.450 3.915 1.00 0.00 C ATOM 1599 C ARG A 105 0.235 9.589 3.856 1.00 0.00 C ATOM 1600 O ARG A 105 0.951 9.061 4.707 1.00 0.00 O ATOM 1601 CB ARG A 105 -1.860 10.456 4.913 1.00 0.00 C ATOM 1602 CG ARG A 105 -1.814 11.894 4.424 1.00 0.00 C ATOM 1603 CD ARG A 105 -2.132 12.874 5.543 1.00 0.00 C ATOM 1604 NE ARG A 105 -2.731 14.106 5.038 1.00 0.00 N ATOM 1605 CZ ARG A 105 -4.024 14.236 4.764 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -4.850 13.214 4.945 1.00 0.00 N ATOM 1607 NH2 ARG A 105 -4.494 15.390 4.307 1.00 0.00 N ATOM 0 H ARG A 105 -0.973 7.596 4.843 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.688 9.658 2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.894 10.188 5.130 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -1.309 10.382 5.850 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.825 12.110 4.020 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -2.527 12.026 3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -2.813 12.405 6.253 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.218 13.112 6.087 1.00 0.00 H new ATOM 0 HE ARG A 105 -2.123 14.911 4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -4.493 12.325 5.296 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -5.843 13.317 4.734 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -3.862 16.178 4.166 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -5.487 15.489 4.097 1.00 0.00 H new ATOM 1621 N PHE A 106 0.720 10.302 2.845 1.00 0.00 N ATOM 1622 CA PHE A 106 2.153 10.509 2.674 1.00 0.00 C ATOM 1623 C PHE A 106 2.573 11.876 3.207 1.00 0.00 C ATOM 1624 O PHE A 106 1.951 12.894 2.897 1.00 0.00 O ATOM 1625 CB PHE A 106 2.535 10.386 1.197 1.00 0.00 C ATOM 1626 CG PHE A 106 2.244 9.034 0.613 1.00 0.00 C ATOM 1627 CD1 PHE A 106 2.612 7.880 1.287 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.603 8.916 -0.609 1.00 0.00 C ATOM 1629 CE1 PHE A 106 2.345 6.633 0.753 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.333 7.672 -1.148 1.00 0.00 C ATOM 1631 CZ PHE A 106 1.705 6.529 -0.467 1.00 0.00 C ATOM 0 H PHE A 106 0.142 10.746 2.132 1.00 0.00 H new ATOM 0 HA PHE A 106 2.676 9.740 3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 106 1.997 11.143 0.627 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.598 10.600 1.086 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.113 7.956 2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.311 9.806 -1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.636 5.742 1.289 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.831 7.594 -2.101 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.496 5.556 -0.887 1.00 0.00 H new ATOM 1641 N LEU A 107 3.631 11.892 4.010 1.00 0.00 N ATOM 1642 CA LEU A 107 4.134 13.133 4.588 1.00 0.00 C ATOM 1643 C LEU A 107 5.306 13.676 3.776 1.00 0.00 C ATOM 1644 O LEU A 107 6.162 12.930 3.301 1.00 0.00 O ATOM 1645 CB LEU A 107 4.567 12.905 6.038 1.00 0.00 C ATOM 1646 CG LEU A 107 3.562 12.175 6.931 1.00 0.00 C ATOM 1647 CD1 LEU A 107 4.227 11.722 8.221 1.00 0.00 C ATOM 1648 CD2 LEU A 107 2.367 13.068 7.229 1.00 0.00 C ATOM 0 H LEU A 107 4.157 11.060 4.276 1.00 0.00 H new ATOM 0 HA LEU A 107 3.329 13.867 4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.498 12.338 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.786 13.874 6.488 1.00 0.00 H new ATOM 0 HG LEU A 107 3.206 11.292 6.400 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.498 11.205 8.844 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.050 11.046 7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.611 12.590 8.757 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.662 12.533 7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.705 13.969 7.740 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.876 13.343 6.295 1.00 0.00 H new ATOM 1660 N PRO A 108 5.347 15.007 3.613 1.00 0.00 N ATOM 1661 CA PRO A 108 6.410 15.679 2.861 1.00 0.00 C ATOM 1662 C PRO A 108 7.753 15.627 3.582 1.00 0.00 C ATOM 1663 O PRO A 108 7.827 15.837 4.793 1.00 0.00 O ATOM 1664 CB PRO A 108 5.913 17.124 2.759 1.00 0.00 C ATOM 1665 CG PRO A 108 5.007 17.296 3.929 1.00 0.00 C ATOM 1666 CD PRO A 108 4.360 15.957 4.152 1.00 0.00 C ATOM 0 HA PRO A 108 6.588 15.206 1.895 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.742 17.831 2.793 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.385 17.296 1.821 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.564 17.612 4.811 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.258 18.064 3.733 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.164 15.776 5.209 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.404 15.881 3.633 1.00 0.00 H new ATOM 1674 N VAL A 109 8.813 15.347 2.830 1.00 0.00 N ATOM 1675 CA VAL A 109 10.153 15.269 3.398 1.00 0.00 C ATOM 1676 C VAL A 109 10.857 16.620 3.334 1.00 0.00 C ATOM 1677 O VAL A 109 11.660 16.955 4.205 1.00 0.00 O ATOM 1678 CB VAL A 109 11.013 14.221 2.666 1.00 0.00 C ATOM 1679 CG1 VAL A 109 12.377 14.094 3.326 1.00 0.00 C ATOM 1680 CG2 VAL A 109 10.300 12.877 2.634 1.00 0.00 C ATOM 0 H VAL A 109 8.769 15.171 1.826 1.00 0.00 H new ATOM 0 HA VAL A 109 10.037 14.971 4.440 1.00 0.00 H new ATOM 0 HB VAL A 109 11.163 14.552 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 109 12.970 13.349 2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.888 15.056 3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.252 13.785 4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.921 12.148 2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.119 12.537 3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.349 12.982 2.112 1.00 0.00 H new