USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 621 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 20 LYS NZ :NH3+ 172:sc= 2.12 (180deg=2.01) USER MOD Set 1.2: A 88 THR OG1 : rot -102:sc= 1.3 USER MOD Set 2.1: A 78 HIS : no HE2:sc= 0.468 K(o=1.6,f=-4.9!) USER MOD Set 2.2: B 208 THR OG1 : rot 96:sc= 1.11 USER MOD Single : A 13 THR OG1 : rot -17:sc= 0.296 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -40:sc= 0.173 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.426 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.0115 X(o=-0.011,f=-0.13) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 1.49 K(o=1.5,f=-8.3!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 78:sc= 0.35 USER MOD Single : A 87 ASN : amide:sc= 0.571 K(o=0.57,f=0) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 93 HIS : no HE2:sc= -0.0882 K(o=-0.088,f=-0.61) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 SER OG : rot 33:sc= 0.349 USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 13 -6.953 -7.732 -6.478 1.00 0.00 N ATOM 74 CA THR A 13 -6.069 -6.613 -6.359 1.00 0.00 C ATOM 75 C THR A 13 -6.827 -5.334 -6.446 1.00 0.00 C ATOM 76 O THR A 13 -7.622 -5.099 -7.355 1.00 0.00 O ATOM 77 CB THR A 13 -4.973 -6.585 -7.383 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.429 -7.059 -8.641 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.836 -7.505 -6.907 1.00 0.00 C ATOM 0 HA THR A 13 -5.599 -6.726 -5.382 1.00 0.00 H new ATOM 0 HB THR A 13 -4.634 -5.555 -7.498 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.270 -7.547 -8.521 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.030 -7.497 -7.641 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.458 -7.150 -5.948 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.213 -8.521 -6.794 1.00 0.00 H new ATOM 87 N PHE A 14 -6.588 -4.419 -5.488 1.00 0.00 N ATOM 88 CA PHE A 14 -7.144 -3.102 -5.499 1.00 0.00 C ATOM 89 C PHE A 14 -6.036 -2.117 -5.648 1.00 0.00 C ATOM 90 O PHE A 14 -5.184 -1.954 -4.777 1.00 0.00 O ATOM 91 CB PHE A 14 -8.129 -2.705 -4.385 1.00 0.00 C ATOM 92 CG PHE A 14 -7.903 -3.206 -3.000 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.784 -4.542 -2.694 1.00 0.00 C ATOM 94 CD2 PHE A 14 -7.939 -2.304 -1.964 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.596 -4.956 -1.397 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.715 -2.700 -0.667 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.547 -4.035 -0.379 1.00 0.00 C ATOM 0 H PHE A 14 -5.990 -4.602 -4.682 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.814 -3.099 -6.358 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.151 -1.616 -4.340 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.122 -3.032 -4.694 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.839 -5.276 -3.484 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.147 -1.265 -2.173 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.487 -6.008 -1.178 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.671 -1.966 0.124 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.378 -4.356 0.638 1.00 0.00 H new ATOM 107 N GLU A 15 -6.017 -1.411 -6.792 1.00 0.00 N ATOM 108 CA GLU A 15 -5.085 -0.357 -7.053 1.00 0.00 C ATOM 109 C GLU A 15 -5.671 0.940 -6.613 1.00 0.00 C ATOM 110 O GLU A 15 -6.249 1.695 -7.394 1.00 0.00 O ATOM 111 CB GLU A 15 -4.682 -0.322 -8.536 1.00 0.00 C ATOM 112 CG GLU A 15 -4.234 -1.658 -9.132 1.00 0.00 C ATOM 113 CD GLU A 15 -3.765 -1.490 -10.569 1.00 0.00 C ATOM 114 OE1 GLU A 15 -2.752 -0.779 -10.810 1.00 0.00 O ATOM 115 OE2 GLU A 15 -4.420 -2.045 -11.492 1.00 0.00 O ATOM 0 H GLU A 15 -6.669 -1.578 -7.559 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.173 -0.540 -6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.528 0.048 -9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.873 0.399 -8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.427 -2.075 -8.530 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.059 -2.370 -9.097 1.00 0.00 H new ATOM 122 N VAL A 16 -5.573 1.229 -5.303 1.00 0.00 N ATOM 123 CA VAL A 16 -6.103 2.379 -4.638 1.00 0.00 C ATOM 124 C VAL A 16 -5.164 3.525 -4.803 1.00 0.00 C ATOM 125 O VAL A 16 -3.952 3.319 -4.752 1.00 0.00 O ATOM 126 CB VAL A 16 -6.187 2.082 -3.170 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.726 3.272 -2.359 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.098 0.867 -2.926 1.00 0.00 C ATOM 0 H VAL A 16 -5.084 0.608 -4.659 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.081 2.620 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.171 1.874 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.767 3.004 -1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.067 4.130 -2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.727 3.526 -2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.151 0.661 -1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.098 1.080 -3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.692 -0.002 -3.443 1.00 0.00 H new ATOM 138 N GLU A 17 -5.614 4.782 -4.961 1.00 0.00 N ATOM 139 CA GLU A 17 -4.752 5.916 -4.831 1.00 0.00 C ATOM 140 C GLU A 17 -5.205 6.795 -3.717 1.00 0.00 C ATOM 141 O GLU A 17 -6.384 7.102 -3.545 1.00 0.00 O ATOM 142 CB GLU A 17 -4.470 6.620 -6.169 1.00 0.00 C ATOM 143 CG GLU A 17 -5.608 7.066 -7.089 1.00 0.00 C ATOM 144 CD GLU A 17 -6.520 8.167 -6.567 1.00 0.00 C ATOM 145 OE1 GLU A 17 -6.035 9.311 -6.358 1.00 0.00 O ATOM 146 OE2 GLU A 17 -7.750 7.928 -6.439 1.00 0.00 O ATOM 0 H GLU A 17 -6.583 5.015 -5.181 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.761 5.567 -4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.879 7.507 -5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.834 5.953 -6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.172 7.403 -8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.223 6.195 -7.316 1.00 0.00 H new ATOM 153 N LEU A 18 -4.247 7.154 -2.844 1.00 0.00 N ATOM 154 CA LEU A 18 -4.490 7.885 -1.638 1.00 0.00 C ATOM 155 C LEU A 18 -3.653 9.118 -1.661 1.00 0.00 C ATOM 156 O LEU A 18 -2.614 9.169 -2.317 1.00 0.00 O ATOM 157 CB LEU A 18 -4.024 7.087 -0.409 1.00 0.00 C ATOM 158 CG LEU A 18 -4.656 5.691 -0.278 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.006 4.973 0.919 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.189 5.762 -0.183 1.00 0.00 C ATOM 0 H LEU A 18 -3.263 6.926 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.558 8.094 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.940 6.979 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.252 7.661 0.489 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.460 5.109 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.442 3.980 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.933 4.882 0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.182 5.548 1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.595 4.755 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.473 6.348 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.588 6.234 -1.081 1.00 0.00 H new ATOM 172 N ALA A 19 -4.056 10.141 -0.886 1.00 0.00 N ATOM 173 CA ALA A 19 -3.246 11.295 -0.640 1.00 0.00 C ATOM 174 C ALA A 19 -2.887 11.342 0.805 1.00 0.00 C ATOM 175 O ALA A 19 -3.707 11.646 1.670 1.00 0.00 O ATOM 176 CB ALA A 19 -3.942 12.573 -1.138 1.00 0.00 C ATOM 0 H ALA A 19 -4.963 10.168 -0.420 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.317 11.228 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.305 13.435 -0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.122 12.495 -2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.892 12.696 -0.618 1.00 0.00 H new ATOM 182 N LYS A 20 -1.622 11.015 1.125 1.00 0.00 N ATOM 183 CA LYS A 20 -1.034 11.064 2.428 1.00 0.00 C ATOM 184 C LYS A 20 -1.168 12.398 3.077 1.00 0.00 C ATOM 185 O LYS A 20 -0.928 13.436 2.463 1.00 0.00 O ATOM 186 CB LYS A 20 0.456 10.686 2.355 1.00 0.00 C ATOM 187 CG LYS A 20 1.144 11.279 1.124 1.00 0.00 C ATOM 188 CD LYS A 20 2.561 11.826 1.306 1.00 0.00 C ATOM 189 CE LYS A 20 3.688 10.809 1.115 1.00 0.00 C ATOM 190 NZ LYS A 20 4.947 11.519 0.796 1.00 0.00 N ATOM 0 H LYS A 20 -0.961 10.692 0.418 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.580 10.345 3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.962 11.035 3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.553 9.600 2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.176 10.510 0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.518 12.086 0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.710 12.644 0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.643 12.249 2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.813 10.215 2.020 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.435 10.117 0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.737 10.843 0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.870 11.956 -0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.119 12.257 1.508 1.00 0.00 H new ATOM 204 N THR A 21 -1.546 12.433 4.367 1.00 0.00 N ATOM 205 CA THR A 21 -1.758 13.644 5.098 1.00 0.00 C ATOM 206 C THR A 21 -0.575 13.895 5.968 1.00 0.00 C ATOM 207 O THR A 21 -0.282 13.165 6.914 1.00 0.00 O ATOM 208 CB THR A 21 -3.085 13.680 5.796 1.00 0.00 C ATOM 209 OG1 THR A 21 -3.381 14.973 6.304 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.226 12.678 6.955 1.00 0.00 C ATOM 0 H THR A 21 -1.710 11.591 4.920 1.00 0.00 H new ATOM 0 HA THR A 21 -1.832 14.484 4.407 1.00 0.00 H new ATOM 0 HB THR A 21 -3.791 13.396 5.016 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.253 14.957 6.750 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.216 12.774 7.401 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.095 11.664 6.577 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.467 12.885 7.709 1.00 0.00 H new ATOM 218 N ASP A 22 0.228 14.912 5.607 1.00 0.00 N ATOM 219 CA ASP A 22 1.544 15.199 6.089 1.00 0.00 C ATOM 220 C ASP A 22 2.458 14.032 6.238 1.00 0.00 C ATOM 221 O ASP A 22 3.112 13.835 7.262 1.00 0.00 O ATOM 222 CB ASP A 22 1.534 16.093 7.339 1.00 0.00 C ATOM 223 CG ASP A 22 0.818 17.403 7.044 1.00 0.00 C ATOM 224 OD1 ASP A 22 1.073 18.015 5.973 1.00 0.00 O ATOM 225 OD2 ASP A 22 -0.009 17.844 7.887 1.00 0.00 O ATOM 0 H ASP A 22 -0.074 15.596 4.913 1.00 0.00 H new ATOM 0 HA ASP A 22 1.987 15.769 5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.038 15.576 8.160 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.556 16.293 7.660 1.00 0.00 H new ATOM 230 N GLY A 23 2.550 13.194 5.190 1.00 0.00 N ATOM 231 CA GLY A 23 3.363 12.017 5.204 1.00 0.00 C ATOM 232 C GLY A 23 2.835 10.889 6.024 1.00 0.00 C ATOM 233 O GLY A 23 3.587 10.263 6.769 1.00 0.00 O ATOM 0 H GLY A 23 2.049 13.337 4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.490 11.671 4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.353 12.283 5.576 1.00 0.00 H new ATOM 237 N SER A 24 1.536 10.562 5.906 1.00 0.00 N ATOM 238 CA SER A 24 0.952 9.431 6.557 1.00 0.00 C ATOM 239 C SER A 24 -0.318 9.146 5.832 1.00 0.00 C ATOM 240 O SER A 24 -1.250 9.943 5.742 1.00 0.00 O ATOM 241 CB SER A 24 0.770 9.513 8.082 1.00 0.00 C ATOM 242 OG SER A 24 -0.194 10.461 8.514 1.00 0.00 O ATOM 0 H SER A 24 0.875 11.098 5.344 1.00 0.00 H new ATOM 0 HA SER A 24 1.662 8.606 6.494 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.484 8.529 8.454 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.730 9.758 8.536 1.00 0.00 H new ATOM 0 HG SER A 24 -0.127 11.269 7.964 1.00 0.00 H new ATOM 248 N LEU A 25 -0.381 7.948 5.224 1.00 0.00 N ATOM 249 CA LEU A 25 -1.544 7.355 4.641 1.00 0.00 C ATOM 250 C LEU A 25 -2.432 6.910 5.752 1.00 0.00 C ATOM 251 O LEU A 25 -3.659 6.992 5.714 1.00 0.00 O ATOM 252 CB LEU A 25 -1.082 6.097 3.886 1.00 0.00 C ATOM 253 CG LEU A 25 0.045 6.348 2.870 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.829 5.042 2.659 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.497 7.026 1.600 1.00 0.00 C ATOM 0 H LEU A 25 0.442 7.352 5.134 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.059 8.053 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.744 5.356 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.937 5.666 3.364 1.00 0.00 H new ATOM 0 HG LEU A 25 0.769 7.068 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.630 5.211 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.256 4.716 3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.157 4.272 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.321 7.192 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.247 6.385 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.949 7.982 1.863 1.00 0.00 H new ATOM 267 N GLY A 26 -1.778 6.438 6.829 1.00 0.00 N ATOM 268 CA GLY A 26 -2.411 6.179 8.084 1.00 0.00 C ATOM 269 C GLY A 26 -2.469 4.713 8.346 1.00 0.00 C ATOM 270 O GLY A 26 -3.427 4.221 8.939 1.00 0.00 O ATOM 0 H GLY A 26 -0.779 6.231 6.826 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.863 6.676 8.884 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.419 6.594 8.082 1.00 0.00 H new ATOM 274 N ILE A 27 -1.425 3.986 7.907 1.00 0.00 N ATOM 275 CA ILE A 27 -1.299 2.610 8.275 1.00 0.00 C ATOM 276 C ILE A 27 0.055 2.369 8.850 1.00 0.00 C ATOM 277 O ILE A 27 1.078 2.854 8.367 1.00 0.00 O ATOM 278 CB ILE A 27 -1.655 1.669 7.162 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.759 1.913 5.935 1.00 0.00 C ATOM 280 CG2 ILE A 27 -3.136 1.894 6.817 1.00 0.00 C ATOM 281 CD1 ILE A 27 -1.184 1.192 4.656 1.00 0.00 C ATOM 0 H ILE A 27 -0.681 4.343 7.308 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.035 2.391 9.049 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.496 0.636 7.472 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.730 2.984 5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.258 1.608 6.183 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.427 1.223 6.009 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.749 1.692 7.695 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.283 2.927 6.502 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.486 1.432 3.854 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.183 0.116 4.828 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.186 1.513 4.373 1.00 0.00 H new ATOM 293 N SER A 28 0.061 1.622 9.968 1.00 0.00 N ATOM 294 CA SER A 28 1.221 1.110 10.629 1.00 0.00 C ATOM 295 C SER A 28 1.769 -0.103 9.961 1.00 0.00 C ATOM 296 O SER A 28 1.142 -1.161 9.998 1.00 0.00 O ATOM 297 CB SER A 28 0.965 0.642 12.071 1.00 0.00 C ATOM 298 OG SER A 28 0.609 1.730 12.913 1.00 0.00 O ATOM 0 H SER A 28 -0.803 1.358 10.441 1.00 0.00 H new ATOM 0 HA SER A 28 1.902 1.960 10.599 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.168 -0.101 12.078 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.859 0.155 12.461 1.00 0.00 H new ATOM 0 HG SER A 28 0.451 1.402 13.823 1.00 0.00 H new ATOM 304 N VAL A 29 2.963 -0.022 9.348 1.00 0.00 N ATOM 305 CA VAL A 29 3.488 -1.089 8.553 1.00 0.00 C ATOM 306 C VAL A 29 4.200 -2.171 9.288 1.00 0.00 C ATOM 307 O VAL A 29 5.067 -1.958 10.134 1.00 0.00 O ATOM 308 CB VAL A 29 4.292 -0.580 7.395 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.373 0.319 6.548 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.539 0.193 7.855 1.00 0.00 C ATOM 0 H VAL A 29 3.572 0.794 9.404 1.00 0.00 H new ATOM 0 HA VAL A 29 2.595 -1.584 8.171 1.00 0.00 H new ATOM 0 HB VAL A 29 4.656 -1.423 6.807 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.929 0.707 5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.522 -0.262 6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.016 1.150 7.156 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.092 0.544 6.983 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.235 1.047 8.460 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.175 -0.463 8.449 1.00 0.00 H new ATOM 320 N THR A 30 3.838 -3.428 8.970 1.00 0.00 N ATOM 321 CA THR A 30 4.383 -4.652 9.467 1.00 0.00 C ATOM 322 C THR A 30 4.640 -5.555 8.309 1.00 0.00 C ATOM 323 O THR A 30 4.264 -5.270 7.173 1.00 0.00 O ATOM 324 CB THR A 30 3.473 -5.324 10.451 1.00 0.00 C ATOM 325 OG1 THR A 30 4.016 -6.487 11.057 1.00 0.00 O ATOM 326 CG2 THR A 30 2.137 -5.732 9.805 1.00 0.00 C ATOM 0 H THR A 30 3.090 -3.600 8.298 1.00 0.00 H new ATOM 0 HA THR A 30 5.308 -4.428 9.998 1.00 0.00 H new ATOM 0 HB THR A 30 3.329 -4.568 11.223 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.364 -6.864 11.684 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.505 -6.216 10.550 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.632 -4.845 9.422 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.326 -6.425 8.985 1.00 0.00 H new ATOM 334 N GLY A 31 5.270 -6.717 8.556 1.00 0.00 N ATOM 335 CA GLY A 31 5.353 -7.799 7.625 1.00 0.00 C ATOM 336 C GLY A 31 6.162 -7.615 6.388 1.00 0.00 C ATOM 337 O GLY A 31 5.754 -7.999 5.292 1.00 0.00 O ATOM 0 H GLY A 31 5.741 -6.911 9.440 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.753 -8.663 8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.337 -8.053 7.322 1.00 0.00 H new ATOM 341 N GLY A 32 7.378 -7.052 6.507 1.00 0.00 N ATOM 342 CA GLY A 32 8.276 -6.921 5.401 1.00 0.00 C ATOM 343 C GLY A 32 9.052 -8.174 5.185 1.00 0.00 C ATOM 344 O GLY A 32 9.047 -9.065 6.031 1.00 0.00 O ATOM 0 H GLY A 32 7.744 -6.682 7.384 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.713 -6.679 4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.961 -6.093 5.582 1.00 0.00 H new ATOM 348 N VAL A 33 9.784 -8.285 4.062 1.00 0.00 N ATOM 349 CA VAL A 33 10.415 -9.492 3.626 1.00 0.00 C ATOM 350 C VAL A 33 11.348 -10.145 4.587 1.00 0.00 C ATOM 351 O VAL A 33 11.649 -11.327 4.433 1.00 0.00 O ATOM 352 CB VAL A 33 11.170 -9.346 2.337 1.00 0.00 C ATOM 353 CG1 VAL A 33 10.228 -8.893 1.209 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.399 -8.432 2.479 1.00 0.00 C ATOM 0 H VAL A 33 9.943 -7.500 3.431 1.00 0.00 H new ATOM 0 HA VAL A 33 9.540 -10.132 3.510 1.00 0.00 H new ATOM 0 HB VAL A 33 11.562 -10.327 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.792 -8.792 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.439 -9.633 1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.784 -7.932 1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.911 -8.359 1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.080 -7.439 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.079 -8.849 3.222 1.00 0.00 H new ATOM 467 N GLY A 41 6.243 -8.511 1.229 1.00 0.00 N ATOM 468 CA GLY A 41 5.885 -7.256 0.646 1.00 0.00 C ATOM 469 C GLY A 41 5.880 -6.249 1.745 1.00 0.00 C ATOM 470 O GLY A 41 6.912 -6.041 2.379 1.00 0.00 O ATOM 0 HA2 GLY A 41 6.596 -6.975 -0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.904 -7.316 0.174 1.00 0.00 H new ATOM 474 N ILE A 42 4.727 -5.627 2.050 1.00 0.00 N ATOM 475 CA ILE A 42 4.507 -4.997 3.315 1.00 0.00 C ATOM 476 C ILE A 42 3.062 -5.187 3.626 1.00 0.00 C ATOM 477 O ILE A 42 2.292 -5.584 2.753 1.00 0.00 O ATOM 478 CB ILE A 42 5.027 -3.595 3.441 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.359 -3.210 4.892 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.120 -2.480 2.891 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.560 -3.966 5.460 1.00 0.00 C ATOM 0 H ILE A 42 3.936 -5.560 1.409 1.00 0.00 H new ATOM 0 HA ILE A 42 5.116 -5.473 4.083 1.00 0.00 H new ATOM 0 HB ILE A 42 5.920 -3.645 2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.557 -2.139 4.940 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.488 -3.401 5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.602 -1.513 3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.949 -2.642 1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.166 -2.494 3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.739 -3.646 6.487 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.357 -5.037 5.444 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.442 -3.755 4.855 1.00 0.00 H new ATOM 493 N TYR A 43 2.633 -5.027 4.891 1.00 0.00 N ATOM 494 CA TYR A 43 1.279 -5.211 5.309 1.00 0.00 C ATOM 495 C TYR A 43 0.943 -4.161 6.310 1.00 0.00 C ATOM 496 O TYR A 43 1.809 -3.529 6.912 1.00 0.00 O ATOM 497 CB TYR A 43 1.092 -6.525 6.086 1.00 0.00 C ATOM 498 CG TYR A 43 1.288 -7.772 5.293 1.00 0.00 C ATOM 499 CD1 TYR A 43 2.540 -8.220 4.948 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.197 -8.563 5.016 1.00 0.00 C ATOM 501 CE1 TYR A 43 2.707 -9.435 4.327 1.00 0.00 C ATOM 502 CE2 TYR A 43 0.356 -9.789 4.412 1.00 0.00 C ATOM 503 CZ TYR A 43 1.613 -10.229 4.073 1.00 0.00 C ATOM 504 OH TYR A 43 1.730 -11.499 3.469 1.00 0.00 O ATOM 0 H TYR A 43 3.256 -4.758 5.653 1.00 0.00 H new ATOM 0 HA TYR A 43 0.667 -5.190 4.407 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.790 -6.534 6.923 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.087 -6.538 6.508 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.404 -7.610 5.167 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.793 -8.219 5.275 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.694 -9.765 4.039 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.506 -10.405 4.204 1.00 0.00 H new ATOM 0 HH TYR A 43 0.841 -11.901 3.377 1.00 0.00 H new ATOM 514 N VAL A 44 -0.361 -3.987 6.595 1.00 0.00 N ATOM 515 CA VAL A 44 -0.902 -3.234 7.683 1.00 0.00 C ATOM 516 C VAL A 44 -0.861 -4.028 8.943 1.00 0.00 C ATOM 517 O VAL A 44 -1.198 -5.210 8.968 1.00 0.00 O ATOM 518 CB VAL A 44 -2.352 -2.973 7.398 1.00 0.00 C ATOM 519 CG1 VAL A 44 -3.117 -2.331 8.569 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.509 -2.103 6.140 1.00 0.00 C ATOM 0 H VAL A 44 -1.091 -4.406 6.019 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.322 -2.317 7.792 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.797 -3.955 7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.157 -2.175 8.282 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.074 -2.990 9.436 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.662 -1.373 8.819 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.568 -1.925 5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.002 -1.150 6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.069 -2.616 5.285 1.00 0.00 H new ATOM 530 N LYS A 45 -0.491 -3.402 10.074 1.00 0.00 N ATOM 531 CA LYS A 45 -0.812 -3.895 11.378 1.00 0.00 C ATOM 532 C LYS A 45 -2.054 -3.234 11.869 1.00 0.00 C ATOM 533 O LYS A 45 -3.042 -3.891 12.193 1.00 0.00 O ATOM 534 CB LYS A 45 0.343 -3.697 12.374 1.00 0.00 C ATOM 535 CG LYS A 45 0.425 -4.756 13.475 1.00 0.00 C ATOM 536 CD LYS A 45 -0.621 -4.662 14.588 1.00 0.00 C ATOM 537 CE LYS A 45 -0.551 -5.855 15.544 1.00 0.00 C ATOM 538 NZ LYS A 45 -1.525 -5.728 16.650 1.00 0.00 N ATOM 0 H LYS A 45 0.043 -2.533 10.083 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.978 -4.969 11.301 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.283 -3.692 11.823 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.240 -2.716 12.839 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.343 -5.739 13.011 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.414 -4.700 13.930 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.472 -3.739 15.149 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.616 -4.609 14.147 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.745 -6.775 14.993 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.456 -5.935 15.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.448 -6.554 17.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.325 -4.863 17.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.488 -5.677 16.260 1.00 0.00 H new ATOM 552 N ALA A 46 -2.048 -1.891 11.938 1.00 0.00 N ATOM 553 CA ALA A 46 -3.116 -1.094 12.457 1.00 0.00 C ATOM 554 C ALA A 46 -3.568 -0.080 11.462 1.00 0.00 C ATOM 555 O ALA A 46 -2.755 0.602 10.840 1.00 0.00 O ATOM 556 CB ALA A 46 -2.670 -0.391 13.749 1.00 0.00 C ATOM 0 H ALA A 46 -1.258 -1.333 11.615 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.954 -1.757 12.674 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.490 0.213 14.136 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.388 -1.138 14.491 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.815 0.251 13.537 1.00 0.00 H new ATOM 562 N ILE A 47 -4.895 0.056 11.297 1.00 0.00 N ATOM 563 CA ILE A 47 -5.538 1.107 10.570 1.00 0.00 C ATOM 564 C ILE A 47 -5.868 2.164 11.567 1.00 0.00 C ATOM 565 O ILE A 47 -6.380 1.859 12.643 1.00 0.00 O ATOM 566 CB ILE A 47 -6.819 0.676 9.918 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.595 -0.469 8.916 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.531 1.841 9.211 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.601 -0.119 7.807 1.00 0.00 C ATOM 0 H ILE A 47 -5.559 -0.608 11.695 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.870 1.441 9.776 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.458 0.318 10.725 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.235 -1.347 9.453 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.550 -0.740 8.466 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.453 1.481 8.754 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.766 2.619 9.938 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.880 2.251 8.439 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.490 -0.971 7.136 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.970 0.740 7.246 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.634 0.124 8.248 1.00 0.00 H new ATOM 581 N ILE A 48 -5.579 3.444 11.273 1.00 0.00 N ATOM 582 CA ILE A 48 -6.006 4.513 12.123 1.00 0.00 C ATOM 583 C ILE A 48 -7.313 5.076 11.683 1.00 0.00 C ATOM 584 O ILE A 48 -7.568 5.104 10.479 1.00 0.00 O ATOM 585 CB ILE A 48 -4.993 5.610 12.267 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.769 6.420 10.979 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.728 4.978 12.872 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.485 7.247 10.987 1.00 0.00 C ATOM 0 H ILE A 48 -5.052 3.739 10.451 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.126 4.063 13.109 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.360 6.381 12.944 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.745 5.736 10.130 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.618 7.086 10.827 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.962 5.743 12.995 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.967 4.545 13.843 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.358 4.197 12.207 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.396 7.790 10.046 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.514 7.956 11.814 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.627 6.586 11.106 1.00 0.00 H new ATOM 643 N ALA A 52 -5.975 8.541 5.573 1.00 0.00 N ATOM 644 CA ALA A 52 -6.241 8.527 4.169 1.00 0.00 C ATOM 645 C ALA A 52 -6.599 7.150 3.723 1.00 0.00 C ATOM 646 O ALA A 52 -7.472 6.956 2.879 1.00 0.00 O ATOM 647 CB ALA A 52 -5.019 9.047 3.394 1.00 0.00 C ATOM 0 HA ALA A 52 -7.086 9.184 3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.233 9.032 2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.798 10.068 3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.159 8.410 3.601 1.00 0.00 H new ATOM 653 N ALA A 53 -5.932 6.123 4.280 1.00 0.00 N ATOM 654 CA ALA A 53 -6.062 4.749 3.907 1.00 0.00 C ATOM 655 C ALA A 53 -7.330 4.081 4.315 1.00 0.00 C ATOM 656 O ALA A 53 -7.938 3.388 3.500 1.00 0.00 O ATOM 657 CB ALA A 53 -4.857 3.983 4.477 1.00 0.00 C ATOM 0 H ALA A 53 -5.262 6.261 5.036 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.091 4.731 2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.934 2.930 4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.936 4.397 4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.846 4.078 5.563 1.00 0.00 H new ATOM 663 N GLU A 54 -7.838 4.306 5.540 1.00 0.00 N ATOM 664 CA GLU A 54 -9.148 3.889 5.934 1.00 0.00 C ATOM 665 C GLU A 54 -10.204 4.366 4.999 1.00 0.00 C ATOM 666 O GLU A 54 -11.175 3.692 4.658 1.00 0.00 O ATOM 667 CB GLU A 54 -9.524 4.415 7.330 1.00 0.00 C ATOM 668 CG GLU A 54 -10.897 3.934 7.799 1.00 0.00 C ATOM 669 CD GLU A 54 -11.318 4.465 9.161 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.461 5.711 9.286 1.00 0.00 O ATOM 671 OE2 GLU A 54 -11.563 3.640 10.081 1.00 0.00 O ATOM 0 H GLU A 54 -7.324 4.791 6.276 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.105 2.800 5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.769 4.096 8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.512 5.505 7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.643 4.229 7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.895 2.845 7.832 1.00 0.00 H new ATOM 678 N SER A 55 -10.001 5.596 4.492 1.00 0.00 N ATOM 679 CA SER A 55 -10.883 6.258 3.580 1.00 0.00 C ATOM 680 C SER A 55 -10.874 5.774 2.171 1.00 0.00 C ATOM 681 O SER A 55 -11.569 6.332 1.322 1.00 0.00 O ATOM 682 CB SER A 55 -10.623 7.773 3.571 1.00 0.00 C ATOM 683 OG SER A 55 -10.427 8.290 4.879 1.00 0.00 O ATOM 0 H SER A 55 -9.182 6.156 4.730 1.00 0.00 H new ATOM 0 HA SER A 55 -11.870 6.011 3.972 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.744 7.986 2.962 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.466 8.282 3.103 1.00 0.00 H new ATOM 0 HG SER A 55 -10.263 9.255 4.828 1.00 0.00 H new ATOM 689 N ASP A 56 -10.170 4.684 1.820 1.00 0.00 N ATOM 690 CA ASP A 56 -10.538 3.861 0.711 1.00 0.00 C ATOM 691 C ASP A 56 -11.732 3.081 1.145 1.00 0.00 C ATOM 692 O ASP A 56 -12.872 3.388 0.802 1.00 0.00 O ATOM 693 CB ASP A 56 -9.398 2.934 0.256 1.00 0.00 C ATOM 694 CG ASP A 56 -9.849 1.919 -0.784 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.211 2.305 -1.927 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.949 0.715 -0.427 1.00 0.00 O ATOM 0 H ASP A 56 -9.334 4.369 2.312 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.761 4.481 -0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.588 3.536 -0.156 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.995 2.408 1.121 1.00 0.00 H new ATOM 701 N GLY A 57 -11.502 2.008 1.923 1.00 0.00 N ATOM 702 CA GLY A 57 -12.547 1.261 2.552 1.00 0.00 C ATOM 703 C GLY A 57 -12.207 -0.188 2.620 1.00 0.00 C ATOM 704 O GLY A 57 -12.599 -0.908 3.538 1.00 0.00 O ATOM 0 H GLY A 57 -10.567 1.651 2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.717 1.645 3.558 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.477 1.394 1.998 1.00 0.00 H new ATOM 708 N ARG A 58 -11.449 -0.673 1.620 1.00 0.00 N ATOM 709 CA ARG A 58 -11.084 -2.051 1.503 1.00 0.00 C ATOM 710 C ARG A 58 -9.814 -2.339 2.228 1.00 0.00 C ATOM 711 O ARG A 58 -9.550 -3.477 2.612 1.00 0.00 O ATOM 712 CB ARG A 58 -10.934 -2.397 0.012 1.00 0.00 C ATOM 713 CG ARG A 58 -12.224 -2.196 -0.786 1.00 0.00 C ATOM 714 CD ARG A 58 -11.992 -2.220 -2.298 1.00 0.00 C ATOM 715 NE ARG A 58 -11.251 -0.978 -2.651 1.00 0.00 N ATOM 716 CZ ARG A 58 -11.042 -0.599 -3.946 1.00 0.00 C ATOM 717 NH1 ARG A 58 -11.307 -1.446 -4.983 1.00 0.00 N ATOM 718 NH2 ARG A 58 -10.527 0.638 -4.205 1.00 0.00 N ATOM 0 H ARG A 58 -11.079 -0.089 0.870 1.00 0.00 H new ATOM 0 HA ARG A 58 -11.865 -2.664 1.954 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.147 -1.779 -0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.613 -3.434 -0.083 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.937 -2.976 -0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.675 -1.244 -0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.421 -3.103 -2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.941 -2.266 -2.832 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.887 -0.391 -1.901 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.668 -2.382 -4.798 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.144 -1.143 -5.943 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.303 1.268 -3.435 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.367 0.932 -5.168 1.00 0.00 H new ATOM 732 N ILE A 59 -8.989 -1.310 2.494 1.00 0.00 N ATOM 733 CA ILE A 59 -7.844 -1.380 3.348 1.00 0.00 C ATOM 734 C ILE A 59 -8.269 -1.620 4.756 1.00 0.00 C ATOM 735 O ILE A 59 -9.203 -1.001 5.265 1.00 0.00 O ATOM 736 CB ILE A 59 -6.982 -0.157 3.237 1.00 0.00 C ATOM 737 CG1 ILE A 59 -6.757 0.218 1.763 1.00 0.00 C ATOM 738 CG2 ILE A 59 -5.644 -0.456 3.936 1.00 0.00 C ATOM 739 CD1 ILE A 59 -5.848 1.427 1.548 1.00 0.00 C ATOM 0 H ILE A 59 -9.128 -0.383 2.093 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.232 -2.221 3.021 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.471 0.692 3.714 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.328 -0.640 1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.723 0.419 1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.996 0.418 3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.826 -0.695 4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.161 -1.303 3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.745 1.619 0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.283 2.300 2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.866 1.225 1.976 1.00 0.00 H new ATOM 751 N HIS A 60 -7.638 -2.609 5.413 1.00 0.00 N ATOM 752 CA HIS A 60 -8.156 -3.227 6.593 1.00 0.00 C ATOM 753 C HIS A 60 -6.985 -3.781 7.331 1.00 0.00 C ATOM 754 O HIS A 60 -5.889 -3.830 6.775 1.00 0.00 O ATOM 755 CB HIS A 60 -9.113 -4.360 6.183 1.00 0.00 C ATOM 756 CG HIS A 60 -10.224 -4.684 7.138 1.00 0.00 C ATOM 757 ND1 HIS A 60 -11.096 -3.689 7.530 1.00 0.00 N ATOM 758 CD2 HIS A 60 -10.655 -5.896 7.575 1.00 0.00 C ATOM 759 CE1 HIS A 60 -12.053 -4.308 8.197 1.00 0.00 C ATOM 760 NE2 HIS A 60 -11.831 -5.649 8.253 1.00 0.00 N ATOM 0 H HIS A 60 -6.740 -2.990 5.114 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.705 -2.522 7.217 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.556 -4.100 5.222 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.523 -5.264 6.028 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.177 -6.853 7.423 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -12.904 -3.813 8.641 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.423 -6.342 8.711 1.00 0.00 H new ATOM 768 N LYS A 61 -7.141 -4.242 8.584 1.00 0.00 N ATOM 769 CA LYS A 61 -6.071 -4.831 9.327 1.00 0.00 C ATOM 770 C LYS A 61 -5.841 -6.250 8.938 1.00 0.00 C ATOM 771 O LYS A 61 -6.247 -7.184 9.627 1.00 0.00 O ATOM 772 CB LYS A 61 -6.341 -4.764 10.839 1.00 0.00 C ATOM 773 CG LYS A 61 -6.425 -3.336 11.382 1.00 0.00 C ATOM 774 CD LYS A 61 -6.617 -3.236 12.897 1.00 0.00 C ATOM 775 CE LYS A 61 -7.929 -3.841 13.402 1.00 0.00 C ATOM 776 NZ LYS A 61 -8.251 -3.327 14.751 1.00 0.00 N ATOM 0 H LYS A 61 -8.026 -4.205 9.090 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.177 -4.253 9.092 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.275 -5.282 11.056 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.550 -5.298 11.365 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.513 -2.804 11.110 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.252 -2.823 10.890 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.785 -3.736 13.392 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.577 -2.187 13.189 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.737 -3.599 12.712 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.848 -4.928 13.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.144 -3.747 15.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.487 -3.579 15.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.349 -2.292 14.714 1.00 0.00 H new ATOM 790 N GLY A 62 -5.188 -6.469 7.782 1.00 0.00 N ATOM 791 CA GLY A 62 -4.922 -7.764 7.238 1.00 0.00 C ATOM 792 C GLY A 62 -5.067 -7.756 5.755 1.00 0.00 C ATOM 793 O GLY A 62 -5.898 -8.452 5.175 1.00 0.00 O ATOM 0 H GLY A 62 -4.830 -5.710 7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.913 -8.076 7.507 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.607 -8.493 7.671 1.00 0.00 H new ATOM 797 N ASP A 63 -4.256 -6.919 5.083 1.00 0.00 N ATOM 798 CA ASP A 63 -4.184 -6.747 3.664 1.00 0.00 C ATOM 799 C ASP A 63 -3.092 -7.588 3.098 1.00 0.00 C ATOM 800 O ASP A 63 -2.759 -8.641 3.639 1.00 0.00 O ATOM 801 CB ASP A 63 -3.969 -5.242 3.434 1.00 0.00 C ATOM 802 CG ASP A 63 -2.621 -4.758 3.950 1.00 0.00 C ATOM 803 OD1 ASP A 63 -2.202 -5.182 5.061 1.00 0.00 O ATOM 804 OD2 ASP A 63 -1.974 -3.960 3.221 1.00 0.00 O ATOM 0 H ASP A 63 -3.597 -6.314 5.573 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.091 -7.072 3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.045 -5.027 2.368 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.765 -4.685 3.929 1.00 0.00 H new ATOM 809 N ARG A 64 -2.507 -7.143 1.971 1.00 0.00 N ATOM 810 CA ARG A 64 -1.141 -7.380 1.622 1.00 0.00 C ATOM 811 C ARG A 64 -0.758 -6.357 0.608 1.00 0.00 C ATOM 812 O ARG A 64 -1.364 -6.273 -0.460 1.00 0.00 O ATOM 813 CB ARG A 64 -0.911 -8.829 1.157 1.00 0.00 C ATOM 814 CG ARG A 64 0.519 -9.226 0.783 1.00 0.00 C ATOM 815 CD ARG A 64 0.837 -9.000 -0.696 1.00 0.00 C ATOM 816 NE ARG A 64 2.075 -9.768 -1.010 1.00 0.00 N ATOM 817 CZ ARG A 64 2.429 -10.113 -2.282 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.515 -10.129 -3.295 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.728 -10.455 -2.527 1.00 0.00 N ATOM 0 H ARG A 64 -3.009 -6.594 1.273 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.494 -7.275 2.493 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.250 -9.496 1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.549 -9.011 0.292 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.219 -8.653 1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.673 -10.278 1.025 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.009 -9.334 -1.322 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.982 -7.939 -0.899 1.00 0.00 H new ATOM 0 HE ARG A 64 2.684 -10.048 -0.241 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.544 -9.880 -3.109 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.803 -10.390 -4.238 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.409 -10.449 -1.768 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.017 -10.717 -3.469 1.00 0.00 H new ATOM 833 N VAL A 65 0.263 -5.522 0.870 1.00 0.00 N ATOM 834 CA VAL A 65 0.725 -4.503 -0.020 1.00 0.00 C ATOM 835 C VAL A 65 1.751 -5.111 -0.912 1.00 0.00 C ATOM 836 O VAL A 65 2.750 -5.657 -0.445 1.00 0.00 O ATOM 837 CB VAL A 65 1.386 -3.331 0.644 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.484 -2.153 -0.340 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.629 -2.879 1.904 1.00 0.00 C ATOM 0 H VAL A 65 0.790 -5.559 1.742 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.161 -4.129 -0.532 1.00 0.00 H new ATOM 0 HB VAL A 65 2.383 -3.651 0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.965 -1.307 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.073 -2.452 -1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.484 -1.864 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.143 -2.029 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.386 -2.588 1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.593 -3.699 2.621 1.00 0.00 H new ATOM 849 N LEU A 66 1.553 -5.054 -2.241 1.00 0.00 N ATOM 850 CA LEU A 66 2.510 -5.535 -3.189 1.00 0.00 C ATOM 851 C LEU A 66 3.236 -4.444 -3.898 1.00 0.00 C ATOM 852 O LEU A 66 4.396 -4.636 -4.258 1.00 0.00 O ATOM 853 CB LEU A 66 1.906 -6.551 -4.174 1.00 0.00 C ATOM 854 CG LEU A 66 0.627 -6.158 -4.931 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.585 -6.843 -6.307 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.620 -6.572 -4.131 1.00 0.00 C ATOM 0 H LEU A 66 0.711 -4.666 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 66 3.257 -6.066 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.670 -6.792 -4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.697 -7.467 -3.621 1.00 0.00 H new ATOM 0 HG LEU A 66 0.634 -5.076 -5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.327 -6.554 -6.830 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.452 -6.536 -6.893 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.600 -7.925 -6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.517 -6.286 -4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.614 -7.652 -3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.614 -6.072 -3.163 1.00 0.00 H new ATOM 868 N ALA A 67 2.634 -3.262 -4.119 1.00 0.00 N ATOM 869 CA ALA A 67 3.341 -2.224 -4.804 1.00 0.00 C ATOM 870 C ALA A 67 2.862 -0.853 -4.469 1.00 0.00 C ATOM 871 O ALA A 67 1.752 -0.684 -3.966 1.00 0.00 O ATOM 872 CB ALA A 67 3.282 -2.439 -6.325 1.00 0.00 C ATOM 0 H ALA A 67 1.684 -3.028 -3.833 1.00 0.00 H new ATOM 0 HA ALA A 67 4.373 -2.290 -4.459 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.826 -1.639 -6.827 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.736 -3.398 -6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.243 -2.433 -6.653 1.00 0.00 H new ATOM 878 N VAL A 68 3.691 0.182 -4.695 1.00 0.00 N ATOM 879 CA VAL A 68 3.388 1.537 -4.357 1.00 0.00 C ATOM 880 C VAL A 68 3.783 2.481 -5.441 1.00 0.00 C ATOM 881 O VAL A 68 4.961 2.538 -5.791 1.00 0.00 O ATOM 882 CB VAL A 68 4.068 1.989 -3.099 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.569 3.394 -2.718 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.794 1.014 -1.941 1.00 0.00 C ATOM 0 H VAL A 68 4.607 0.070 -5.130 1.00 0.00 H new ATOM 0 HA VAL A 68 2.308 1.553 -4.212 1.00 0.00 H new ATOM 0 HB VAL A 68 5.142 2.014 -3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.064 3.720 -1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.797 4.092 -3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.491 3.366 -2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.299 1.366 -1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.721 0.960 -1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.168 0.024 -2.203 1.00 0.00 H new ATOM 894 N ASN A 69 2.866 3.257 -6.046 1.00 0.00 N ATOM 895 CA ASN A 69 3.074 4.011 -7.244 1.00 0.00 C ATOM 896 C ASN A 69 3.560 3.188 -8.386 1.00 0.00 C ATOM 897 O ASN A 69 4.344 3.616 -9.231 1.00 0.00 O ATOM 898 CB ASN A 69 3.881 5.302 -7.025 1.00 0.00 C ATOM 899 CG ASN A 69 3.018 6.345 -6.329 1.00 0.00 C ATOM 900 OD1 ASN A 69 1.794 6.233 -6.290 1.00 0.00 O ATOM 901 ND2 ASN A 69 3.629 7.431 -5.783 1.00 0.00 N ATOM 0 H ASN A 69 1.922 3.364 -5.676 1.00 0.00 H new ATOM 0 HA ASN A 69 2.082 4.349 -7.543 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.765 5.090 -6.424 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.231 5.688 -7.982 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.071 8.160 -5.337 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.645 7.517 -5.819 1.00 0.00 H new ATOM 908 N GLY A 70 3.085 1.930 -8.440 1.00 0.00 N ATOM 909 CA GLY A 70 3.488 0.927 -9.376 1.00 0.00 C ATOM 910 C GLY A 70 4.746 0.222 -8.999 1.00 0.00 C ATOM 911 O GLY A 70 5.152 -0.739 -9.652 1.00 0.00 O ATOM 0 H GLY A 70 2.375 1.594 -7.789 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.688 0.194 -9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.621 1.389 -10.354 1.00 0.00 H new ATOM 915 N VAL A 71 5.413 0.654 -7.915 1.00 0.00 N ATOM 916 CA VAL A 71 6.721 0.211 -7.547 1.00 0.00 C ATOM 917 C VAL A 71 6.579 -0.923 -6.590 1.00 0.00 C ATOM 918 O VAL A 71 6.196 -0.752 -5.434 1.00 0.00 O ATOM 919 CB VAL A 71 7.606 1.253 -6.929 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.033 0.702 -6.781 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.623 2.505 -7.823 1.00 0.00 C ATOM 0 H VAL A 71 5.025 1.340 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 71 7.212 -0.074 -8.477 1.00 0.00 H new ATOM 0 HB VAL A 71 7.222 1.516 -5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.672 1.462 -6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.017 -0.182 -6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.423 0.434 -7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.266 3.263 -7.375 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.005 2.242 -8.810 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.611 2.898 -7.918 1.00 0.00 H new ATOM 931 N SER A 72 6.851 -2.153 -7.062 1.00 0.00 N ATOM 932 CA SER A 72 6.817 -3.343 -6.272 1.00 0.00 C ATOM 933 C SER A 72 7.778 -3.331 -5.133 1.00 0.00 C ATOM 934 O SER A 72 8.920 -2.890 -5.245 1.00 0.00 O ATOM 935 CB SER A 72 6.978 -4.631 -7.098 1.00 0.00 C ATOM 936 OG SER A 72 8.190 -4.661 -7.837 1.00 0.00 O ATOM 0 H SER A 72 7.105 -2.324 -8.035 1.00 0.00 H new ATOM 0 HA SER A 72 5.812 -3.348 -5.849 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.943 -5.492 -6.431 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.136 -4.725 -7.784 1.00 0.00 H new ATOM 0 HG SER A 72 8.244 -5.499 -8.342 1.00 0.00 H new ATOM 942 N LEU A 73 7.319 -3.798 -3.959 1.00 0.00 N ATOM 943 CA LEU A 73 8.079 -3.825 -2.747 1.00 0.00 C ATOM 944 C LEU A 73 9.170 -4.838 -2.819 1.00 0.00 C ATOM 945 O LEU A 73 10.325 -4.515 -2.546 1.00 0.00 O ATOM 946 CB LEU A 73 7.127 -4.063 -1.563 1.00 0.00 C ATOM 947 CG LEU A 73 6.327 -2.805 -1.182 1.00 0.00 C ATOM 948 CD1 LEU A 73 4.951 -3.178 -0.605 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.050 -1.925 -0.149 1.00 0.00 C ATOM 0 H LEU A 73 6.377 -4.173 -3.849 1.00 0.00 H new ATOM 0 HA LEU A 73 8.572 -2.864 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.435 -4.866 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.703 -4.397 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 73 6.216 -2.240 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.407 -2.270 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.385 -3.739 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.084 -3.790 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.437 -1.053 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.220 -2.498 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.007 -1.598 -0.556 1.00 0.00 H new ATOM 961 N GLU A 74 8.847 -6.073 -3.243 1.00 0.00 N ATOM 962 CA GLU A 74 9.688 -7.106 -3.762 1.00 0.00 C ATOM 963 C GLU A 74 11.075 -7.276 -3.244 1.00 0.00 C ATOM 964 O GLU A 74 12.030 -7.526 -3.977 1.00 0.00 O ATOM 965 CB GLU A 74 9.656 -7.030 -5.299 1.00 0.00 C ATOM 966 CG GLU A 74 9.292 -8.350 -5.982 1.00 0.00 C ATOM 967 CD GLU A 74 7.829 -8.712 -5.773 1.00 0.00 C ATOM 968 OE1 GLU A 74 6.952 -8.137 -6.469 1.00 0.00 O ATOM 969 OE2 GLU A 74 7.541 -9.585 -4.910 1.00 0.00 O ATOM 0 H GLU A 74 7.875 -6.381 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 74 9.242 -8.017 -3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.937 -6.267 -5.600 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.633 -6.706 -5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.499 -8.275 -7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.923 -9.148 -5.590 1.00 0.00 H new ATOM 976 N GLY A 75 11.255 -7.161 -1.917 1.00 0.00 N ATOM 977 CA GLY A 75 12.541 -7.004 -1.313 1.00 0.00 C ATOM 978 C GLY A 75 12.499 -6.071 -0.152 1.00 0.00 C ATOM 979 O GLY A 75 13.411 -6.045 0.672 1.00 0.00 O ATOM 0 H GLY A 75 10.487 -7.178 -1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.909 -7.976 -0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.247 -6.630 -2.054 1.00 0.00 H new ATOM 983 N ALA A 76 11.433 -5.260 -0.032 1.00 0.00 N ATOM 984 CA ALA A 76 11.263 -4.356 1.063 1.00 0.00 C ATOM 985 C ALA A 76 10.946 -4.998 2.370 1.00 0.00 C ATOM 986 O ALA A 76 10.086 -5.864 2.521 1.00 0.00 O ATOM 987 CB ALA A 76 10.205 -3.289 0.735 1.00 0.00 C ATOM 0 H ALA A 76 10.672 -5.232 -0.711 1.00 0.00 H new ATOM 0 HA ALA A 76 12.242 -3.894 1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.094 -2.614 1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.519 -2.722 -0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.251 -3.774 0.530 1.00 0.00 H new ATOM 993 N THR A 77 11.673 -4.570 3.419 1.00 0.00 N ATOM 994 CA THR A 77 11.533 -4.946 4.791 1.00 0.00 C ATOM 995 C THR A 77 10.870 -3.774 5.429 1.00 0.00 C ATOM 996 O THR A 77 10.500 -2.835 4.725 1.00 0.00 O ATOM 997 CB THR A 77 12.855 -5.330 5.385 1.00 0.00 C ATOM 998 OG1 THR A 77 12.949 -5.268 6.801 1.00 0.00 O ATOM 999 CG2 THR A 77 14.009 -4.505 4.791 1.00 0.00 C ATOM 0 H THR A 77 12.429 -3.897 3.291 1.00 0.00 H new ATOM 0 HA THR A 77 10.930 -5.841 4.944 1.00 0.00 H new ATOM 0 HB THR A 77 12.937 -6.383 5.115 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.848 -5.539 7.081 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.949 -4.814 5.248 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.057 -4.669 3.715 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.839 -3.447 4.989 1.00 0.00 H new ATOM 1007 N HIS A 78 10.657 -3.733 6.756 1.00 0.00 N ATOM 1008 CA HIS A 78 10.030 -2.662 7.467 1.00 0.00 C ATOM 1009 C HIS A 78 10.533 -1.297 7.143 1.00 0.00 C ATOM 1010 O HIS A 78 9.747 -0.416 6.798 1.00 0.00 O ATOM 1011 CB HIS A 78 10.113 -2.869 8.988 1.00 0.00 C ATOM 1012 CG HIS A 78 9.819 -1.667 9.836 1.00 0.00 C ATOM 1013 ND1 HIS A 78 10.765 -1.136 10.673 1.00 0.00 N ATOM 1014 CD2 HIS A 78 8.754 -0.822 9.873 1.00 0.00 C ATOM 1015 CE1 HIS A 78 10.299 -0.021 11.202 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.084 0.193 10.731 1.00 0.00 N ATOM 0 H HIS A 78 10.941 -4.496 7.371 1.00 0.00 H new ATOM 0 HA HIS A 78 8.996 -2.702 7.124 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.418 -3.662 9.264 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.114 -3.224 9.232 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.684 -1.539 10.858 1.00 0.00 H new ATOM 0 HD2 HIS A 78 7.827 -0.931 9.330 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.824 0.611 11.903 1.00 0.00 H new ATOM 1025 N LYS A 79 11.855 -1.064 7.217 1.00 0.00 N ATOM 1026 CA LYS A 79 12.396 0.246 7.026 1.00 0.00 C ATOM 1027 C LYS A 79 12.376 0.659 5.595 1.00 0.00 C ATOM 1028 O LYS A 79 11.947 1.757 5.245 1.00 0.00 O ATOM 1029 CB LYS A 79 13.814 0.330 7.617 1.00 0.00 C ATOM 1030 CG LYS A 79 14.435 1.727 7.562 1.00 0.00 C ATOM 1031 CD LYS A 79 15.731 1.844 8.364 1.00 0.00 C ATOM 1032 CE LYS A 79 15.516 1.919 9.878 1.00 0.00 C ATOM 1033 NZ LYS A 79 16.821 1.986 10.574 1.00 0.00 N ATOM 0 H LYS A 79 12.551 -1.784 7.410 1.00 0.00 H new ATOM 0 HA LYS A 79 11.757 0.950 7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.783 -0.001 8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.461 -0.364 7.080 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.634 1.988 6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.715 2.452 7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.365 0.987 8.139 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.270 2.734 8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.918 2.796 10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.958 1.046 10.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.665 2.037 11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.378 1.137 10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.339 2.832 10.261 1.00 0.00 H new ATOM 1047 N GLN A 80 12.767 -0.253 4.687 1.00 0.00 N ATOM 1048 CA GLN A 80 12.674 -0.094 3.269 1.00 0.00 C ATOM 1049 C GLN A 80 11.295 0.169 2.770 1.00 0.00 C ATOM 1050 O GLN A 80 11.094 1.062 1.947 1.00 0.00 O ATOM 1051 CB GLN A 80 13.308 -1.324 2.597 1.00 0.00 C ATOM 1052 CG GLN A 80 13.935 -0.990 1.242 1.00 0.00 C ATOM 1053 CD GLN A 80 14.550 -2.183 0.524 1.00 0.00 C ATOM 1054 OE1 GLN A 80 14.248 -2.470 -0.633 1.00 0.00 O ATOM 1055 NE2 GLN A 80 15.461 -2.920 1.214 1.00 0.00 N ATOM 0 H GLN A 80 13.170 -1.150 4.958 1.00 0.00 H new ATOM 0 HA GLN A 80 13.224 0.807 2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 80 14.071 -1.741 3.254 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.548 -2.094 2.463 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.172 -0.549 0.601 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.705 -0.233 1.388 1.00 0.00 H new ATOM 0 HE21 GLN A 80 15.700 -2.668 2.173 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.905 -3.725 0.772 1.00 0.00 H new ATOM 1064 N ALA A 81 10.269 -0.546 3.264 1.00 0.00 N ATOM 1065 CA ALA A 81 8.902 -0.313 2.916 1.00 0.00 C ATOM 1066 C ALA A 81 8.398 1.041 3.283 1.00 0.00 C ATOM 1067 O ALA A 81 7.717 1.694 2.493 1.00 0.00 O ATOM 1068 CB ALA A 81 7.990 -1.336 3.614 1.00 0.00 C ATOM 0 H ALA A 81 10.395 -1.311 3.927 1.00 0.00 H new ATOM 0 HA ALA A 81 8.873 -0.405 1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.953 -1.146 3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.269 -2.343 3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.102 -1.245 4.694 1.00 0.00 H new ATOM 1074 N VAL A 82 8.769 1.555 4.470 1.00 0.00 N ATOM 1075 CA VAL A 82 8.458 2.886 4.889 1.00 0.00 C ATOM 1076 C VAL A 82 8.978 3.899 3.928 1.00 0.00 C ATOM 1077 O VAL A 82 8.269 4.832 3.552 1.00 0.00 O ATOM 1078 CB VAL A 82 8.960 3.190 6.269 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.852 4.677 6.651 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.139 2.382 7.288 1.00 0.00 C ATOM 0 H VAL A 82 9.303 1.027 5.160 1.00 0.00 H new ATOM 0 HA VAL A 82 7.370 2.944 4.911 1.00 0.00 H new ATOM 0 HB VAL A 82 10.017 2.922 6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.233 4.822 7.662 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.438 5.275 5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.808 4.989 6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.497 2.596 8.295 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.088 2.659 7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.250 1.317 7.082 1.00 0.00 H new ATOM 1090 N GLU A 83 10.215 3.749 3.421 1.00 0.00 N ATOM 1091 CA GLU A 83 10.724 4.587 2.380 1.00 0.00 C ATOM 1092 C GLU A 83 9.968 4.516 1.098 1.00 0.00 C ATOM 1093 O GLU A 83 9.640 5.550 0.520 1.00 0.00 O ATOM 1094 CB GLU A 83 12.218 4.337 2.108 1.00 0.00 C ATOM 1095 CG GLU A 83 13.100 4.545 3.342 1.00 0.00 C ATOM 1096 CD GLU A 83 14.582 4.514 2.995 1.00 0.00 C ATOM 1097 OE1 GLU A 83 15.024 3.594 2.257 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.331 5.410 3.467 1.00 0.00 O ATOM 0 H GLU A 83 10.871 3.036 3.738 1.00 0.00 H new ATOM 0 HA GLU A 83 10.588 5.595 2.772 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.349 3.318 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.553 5.004 1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.856 5.501 3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.883 3.770 4.077 1.00 0.00 H new ATOM 1105 N THR A 84 9.593 3.316 0.619 1.00 0.00 N ATOM 1106 CA THR A 84 8.798 3.071 -0.543 1.00 0.00 C ATOM 1107 C THR A 84 7.444 3.692 -0.517 1.00 0.00 C ATOM 1108 O THR A 84 6.914 4.089 -1.554 1.00 0.00 O ATOM 1109 CB THR A 84 8.667 1.601 -0.808 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.946 0.988 -0.850 1.00 0.00 O ATOM 1111 CG2 THR A 84 8.001 1.227 -2.144 1.00 0.00 C ATOM 0 H THR A 84 9.869 2.450 1.083 1.00 0.00 H new ATOM 0 HA THR A 84 9.343 3.557 -1.353 1.00 0.00 H new ATOM 0 HB THR A 84 8.036 1.254 0.010 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.275 0.855 0.063 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.956 0.142 -2.237 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.991 1.636 -2.174 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.584 1.638 -2.969 1.00 0.00 H new ATOM 1119 N LEU A 85 6.869 3.928 0.676 1.00 0.00 N ATOM 1120 CA LEU A 85 5.629 4.610 0.883 1.00 0.00 C ATOM 1121 C LEU A 85 5.806 6.076 1.083 1.00 0.00 C ATOM 1122 O LEU A 85 5.100 6.882 0.479 1.00 0.00 O ATOM 1123 CB LEU A 85 4.973 4.031 2.147 1.00 0.00 C ATOM 1124 CG LEU A 85 4.583 2.550 2.002 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.636 1.849 3.369 1.00 0.00 C ATOM 1126 CD2 LEU A 85 3.194 2.394 1.362 1.00 0.00 C ATOM 0 H LEU A 85 7.297 3.623 1.550 1.00 0.00 H new ATOM 0 HA LEU A 85 5.016 4.467 -0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.659 4.139 2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.083 4.613 2.386 1.00 0.00 H new ATOM 0 HG LEU A 85 5.304 2.075 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.358 0.802 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.647 1.913 3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.941 2.335 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.950 1.335 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.449 2.888 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.197 2.849 0.371 1.00 0.00 H new ATOM 1138 N ARG A 86 6.755 6.515 1.929 1.00 0.00 N ATOM 1139 CA ARG A 86 6.910 7.887 2.301 1.00 0.00 C ATOM 1140 C ARG A 86 7.612 8.727 1.291 1.00 0.00 C ATOM 1141 O ARG A 86 7.249 9.887 1.107 1.00 0.00 O ATOM 1142 CB ARG A 86 7.390 8.026 3.755 1.00 0.00 C ATOM 1143 CG ARG A 86 8.524 8.992 4.108 1.00 0.00 C ATOM 1144 CD ARG A 86 9.898 8.438 3.729 1.00 0.00 C ATOM 1145 NE ARG A 86 10.881 9.557 3.716 1.00 0.00 N ATOM 1146 CZ ARG A 86 11.927 9.703 4.580 1.00 0.00 C ATOM 1147 NH1 ARG A 86 12.016 9.012 5.754 1.00 0.00 N ATOM 1148 NH2 ARG A 86 12.905 10.618 4.314 1.00 0.00 N ATOM 0 H ARG A 86 7.436 5.896 2.368 1.00 0.00 H new ATOM 0 HA ARG A 86 5.917 8.336 2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.525 8.312 4.354 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.696 7.035 4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.363 9.940 3.595 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.501 9.200 5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.206 7.673 4.442 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.856 7.962 2.749 1.00 0.00 H new ATOM 0 HE ARG A 86 10.762 10.275 3.001 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.281 8.354 6.016 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.817 9.153 6.369 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.852 11.190 3.471 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.688 10.729 4.958 1.00 0.00 H new ATOM 1162 N ASN A 87 8.605 8.192 0.556 1.00 0.00 N ATOM 1163 CA ASN A 87 9.455 8.919 -0.336 1.00 0.00 C ATOM 1164 C ASN A 87 8.861 9.037 -1.696 1.00 0.00 C ATOM 1165 O ASN A 87 9.527 9.027 -2.730 1.00 0.00 O ATOM 1166 CB ASN A 87 10.840 8.250 -0.382 1.00 0.00 C ATOM 1167 CG ASN A 87 11.983 9.242 -0.544 1.00 0.00 C ATOM 1168 OD1 ASN A 87 12.842 9.346 0.330 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.015 9.991 -1.679 1.00 0.00 N ATOM 0 H ASN A 87 8.826 7.197 0.587 1.00 0.00 H new ATOM 0 HA ASN A 87 9.565 9.936 0.041 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.991 7.679 0.534 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.865 7.539 -1.208 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.768 10.664 -1.825 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.286 9.880 -2.384 1.00 0.00 H new ATOM 1176 N THR A 88 7.522 9.168 -1.718 1.00 0.00 N ATOM 1177 CA THR A 88 6.650 9.419 -2.822 1.00 0.00 C ATOM 1178 C THR A 88 6.310 10.869 -2.826 1.00 0.00 C ATOM 1179 O THR A 88 6.787 11.623 -1.979 1.00 0.00 O ATOM 1180 CB THR A 88 5.410 8.597 -2.630 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.831 8.855 -1.360 1.00 0.00 O ATOM 1182 CG2 THR A 88 5.797 7.108 -2.629 1.00 0.00 C ATOM 0 H THR A 88 6.990 9.087 -0.852 1.00 0.00 H new ATOM 0 HA THR A 88 7.119 9.155 -3.770 1.00 0.00 H new ATOM 0 HB THR A 88 4.712 8.845 -3.429 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.048 8.122 -0.747 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.903 6.500 -2.490 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.265 6.853 -3.580 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.497 6.915 -1.816 1.00 0.00 H new ATOM 1190 N GLY A 89 5.444 11.339 -3.741 1.00 0.00 N ATOM 1191 CA GLY A 89 4.966 12.687 -3.714 1.00 0.00 C ATOM 1192 C GLY A 89 3.816 12.855 -2.780 1.00 0.00 C ATOM 1193 O GLY A 89 3.961 12.698 -1.570 1.00 0.00 O ATOM 0 H GLY A 89 5.071 10.779 -4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.776 13.353 -3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.664 12.984 -4.718 1.00 0.00 H new ATOM 1197 N GLN A 90 2.628 13.188 -3.318 1.00 0.00 N ATOM 1198 CA GLN A 90 1.415 13.315 -2.573 1.00 0.00 C ATOM 1199 C GLN A 90 0.514 12.155 -2.824 1.00 0.00 C ATOM 1200 O GLN A 90 -0.031 11.586 -1.879 1.00 0.00 O ATOM 1201 CB GLN A 90 0.702 14.641 -2.887 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.470 14.943 -1.950 1.00 0.00 C ATOM 1203 CD GLN A 90 -1.046 16.331 -2.189 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -0.692 17.038 -3.131 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -1.980 16.751 -1.293 1.00 0.00 N ATOM 0 H GLN A 90 2.509 13.376 -4.313 1.00 0.00 H new ATOM 0 HA GLN A 90 1.675 13.321 -1.514 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.424 15.455 -2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.338 14.614 -3.914 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.251 14.196 -2.094 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.138 14.861 -0.915 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -2.255 16.144 -0.521 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.405 17.673 -1.394 1.00 0.00 H new ATOM 1214 N VAL A 91 0.337 11.727 -4.087 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.412 10.546 -4.381 1.00 0.00 C ATOM 1216 C VAL A 91 0.417 9.332 -4.146 1.00 0.00 C ATOM 1217 O VAL A 91 1.508 9.150 -4.685 1.00 0.00 O ATOM 1218 CB VAL A 91 -1.034 10.468 -5.744 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.691 9.100 -5.992 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -2.096 11.579 -5.822 1.00 0.00 C ATOM 0 H VAL A 91 0.715 12.202 -4.907 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.255 10.598 -3.692 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.265 10.595 -6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.130 9.083 -6.989 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.939 8.315 -5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.471 8.931 -5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.574 11.557 -6.801 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.847 11.420 -5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.620 12.548 -5.672 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.130 8.436 -3.303 1.00 0.00 N ATOM 1231 CA VAL A 92 0.375 7.120 -3.067 1.00 0.00 C ATOM 1232 C VAL A 92 -0.637 6.155 -3.584 1.00 0.00 C ATOM 1233 O VAL A 92 -1.704 5.942 -3.010 1.00 0.00 O ATOM 1234 CB VAL A 92 0.624 6.911 -1.602 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.990 5.447 -1.302 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.783 7.836 -1.191 1.00 0.00 C ATOM 0 H VAL A 92 -0.968 8.642 -2.759 1.00 0.00 H new ATOM 0 HA VAL A 92 1.327 6.972 -3.577 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.280 7.142 -1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.164 5.327 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.172 4.797 -1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.894 5.178 -1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.991 7.709 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.673 7.583 -1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.508 8.873 -1.385 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.317 5.526 -4.729 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.070 4.474 -5.339 1.00 0.00 C ATOM 1248 C HIS A 93 -0.703 3.178 -4.703 1.00 0.00 C ATOM 1249 O HIS A 93 0.353 2.618 -4.996 1.00 0.00 O ATOM 1250 CB HIS A 93 -0.773 4.466 -6.848 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.866 3.974 -7.749 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -1.914 4.531 -9.011 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -2.817 3.010 -7.617 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -2.912 3.919 -9.621 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -3.497 2.991 -8.818 1.00 0.00 N ATOM 0 H HIS A 93 0.519 5.767 -5.261 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.140 4.629 -5.198 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.516 5.482 -7.149 1.00 0.00 H new ATOM 0 HB3 HIS A 93 0.110 3.850 -7.017 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -1.309 5.259 -9.391 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.001 2.389 -6.753 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -3.225 4.130 -10.633 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.540 2.656 -3.790 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.324 1.442 -3.066 1.00 0.00 C ATOM 1265 C LEU A 94 -1.873 0.308 -3.862 1.00 0.00 C ATOM 1266 O LEU A 94 -3.075 0.201 -4.101 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.035 1.481 -1.703 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.354 2.268 -0.570 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -1.808 1.716 0.791 1.00 0.00 C ATOM 1270 CD2 LEU A 94 0.180 2.149 -0.586 1.00 0.00 C ATOM 0 H LEU A 94 -2.420 3.109 -3.543 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.254 1.318 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.029 1.901 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.171 0.454 -1.365 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.638 3.309 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.323 2.276 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.890 1.816 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.533 0.664 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.598 2.727 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.465 1.103 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.565 2.533 -1.531 1.00 0.00 H new ATOM 1282 N LEU A 95 -0.993 -0.610 -4.299 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.381 -1.847 -4.903 1.00 0.00 C ATOM 1284 C LEU A 95 -1.525 -2.863 -3.823 1.00 0.00 C ATOM 1285 O LEU A 95 -0.543 -3.406 -3.317 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.333 -2.281 -5.940 1.00 0.00 C ATOM 1287 CG LEU A 95 -0.946 -2.849 -7.232 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.164 -3.426 -8.125 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.046 -3.892 -6.976 1.00 0.00 C ATOM 0 H LEU A 95 0.017 -0.489 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.331 -1.737 -5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.294 -1.426 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.317 -3.034 -5.494 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.435 -2.022 -7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.275 -3.827 -9.038 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.873 -2.638 -8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.683 -4.223 -7.592 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.435 -4.251 -7.929 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.630 -4.729 -6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.853 -3.436 -6.403 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.787 -3.090 -3.419 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.202 -3.954 -2.359 1.00 0.00 C ATOM 1303 C LEU A 96 -3.756 -5.236 -2.876 1.00 0.00 C ATOM 1304 O LEU A 96 -4.376 -5.290 -3.936 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.338 -3.287 -1.565 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.898 -2.072 -0.731 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.689 -0.806 -1.103 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -4.081 -2.399 0.760 1.00 0.00 C ATOM 0 H LEU A 96 -3.579 -2.632 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.322 -4.144 -1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.116 -2.973 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.784 -4.027 -0.900 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.849 -1.867 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.348 0.029 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.529 -0.574 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.751 -0.975 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.772 -1.544 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.130 -2.621 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.472 -3.264 1.020 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.574 -6.322 -2.102 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.175 -7.601 -2.318 1.00 0.00 C ATOM 1322 C GLU A 97 -5.158 -7.881 -1.234 1.00 0.00 C ATOM 1323 O GLU A 97 -4.986 -7.493 -0.080 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.076 -8.677 -2.329 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.373 -9.934 -3.151 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.103 -10.651 -3.585 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.148 -10.819 -2.780 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.055 -11.095 -4.763 1.00 0.00 O ATOM 0 H GLU A 97 -2.972 -6.305 -1.278 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.697 -7.609 -3.275 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.159 -8.227 -2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.880 -8.978 -1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.989 -10.614 -2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.953 -9.661 -4.032 1.00 0.00 H new ATOM 1335 N LYS A 98 -6.268 -8.568 -1.558 1.00 0.00 N ATOM 1336 CA LYS A 98 -7.267 -8.971 -0.615 1.00 0.00 C ATOM 1337 C LYS A 98 -6.826 -10.171 0.149 1.00 0.00 C ATOM 1338 O LYS A 98 -6.906 -11.306 -0.320 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.605 -9.211 -1.333 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.758 -9.802 -0.520 1.00 0.00 C ATOM 1341 CD LYS A 98 -10.320 -8.956 0.624 1.00 0.00 C ATOM 1342 CE LYS A 98 -11.173 -7.766 0.179 1.00 0.00 C ATOM 1343 NZ LYS A 98 -11.945 -7.210 1.313 1.00 0.00 N ATOM 0 H LYS A 98 -6.479 -8.854 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.413 -8.168 0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.939 -8.258 -1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.417 -9.874 -2.177 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.575 -10.025 -1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.424 -10.752 -0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.922 -9.596 1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.490 -8.586 1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.531 -6.992 -0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.856 -8.079 -0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.514 -6.405 0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.573 -7.944 1.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.290 -6.890 2.055 1.00 0.00 H new ATOM 1434 N LEU B 206 9.553 -2.596 13.895 1.00 0.00 N ATOM 1435 CA LEU B 206 8.245 -2.754 13.339 1.00 0.00 C ATOM 1436 C LEU B 206 7.477 -1.491 13.526 1.00 0.00 C ATOM 1437 O LEU B 206 7.805 -0.691 14.401 1.00 0.00 O ATOM 1438 CB LEU B 206 7.468 -3.894 14.022 1.00 0.00 C ATOM 1439 CG LEU B 206 6.384 -4.565 13.162 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.065 -5.398 12.063 1.00 0.00 C ATOM 1441 CD2 LEU B 206 5.508 -5.455 14.059 1.00 0.00 C ATOM 0 HA LEU B 206 8.361 -2.994 12.282 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.180 -4.657 14.338 1.00 0.00 H new ATOM 0 HB3 LEU B 206 7.000 -3.501 14.924 1.00 0.00 H new ATOM 0 HG LEU B 206 5.749 -3.814 12.692 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.305 -5.878 11.447 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.678 -4.747 11.440 1.00 0.00 H new ATOM 0 HD13 LEU B 206 7.695 -6.160 12.522 1.00 0.00 H new ATOM 0 HD21 LEU B 206 4.737 -5.934 13.455 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.127 -6.219 14.529 1.00 0.00 H new ATOM 0 HD23 LEU B 206 5.038 -4.844 14.830 1.00 0.00 H new ATOM 1453 N VAL B 207 6.418 -1.301 12.719 1.00 0.00 N ATOM 1454 CA VAL B 207 5.344 -0.381 12.931 1.00 0.00 C ATOM 1455 C VAL B 207 5.674 1.072 12.931 1.00 0.00 C ATOM 1456 O VAL B 207 6.253 1.661 13.843 1.00 0.00 O ATOM 1457 CB VAL B 207 4.358 -0.865 13.953 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.555 0.268 14.614 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.443 -1.902 13.280 1.00 0.00 C ATOM 0 H VAL B 207 6.305 -1.830 11.854 1.00 0.00 H new ATOM 0 HA VAL B 207 4.789 -0.397 11.993 1.00 0.00 H new ATOM 0 HB VAL B 207 4.907 -1.324 14.775 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.862 -0.154 15.342 1.00 0.00 H new ATOM 0 HG12 VAL B 207 4.238 0.952 15.118 1.00 0.00 H new ATOM 0 HG13 VAL B 207 2.995 0.810 13.852 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.716 -2.270 14.004 1.00 0.00 H new ATOM 0 HG22 VAL B 207 2.920 -1.438 12.444 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.044 -2.735 12.914 1.00 0.00 H new ATOM 1469 N THR B 208 5.273 1.720 11.822 1.00 0.00 N ATOM 1470 CA THR B 208 5.515 3.104 11.550 1.00 0.00 C ATOM 1471 C THR B 208 4.272 3.531 10.848 1.00 0.00 C ATOM 1472 O THR B 208 3.937 2.933 9.827 1.00 0.00 O ATOM 1473 CB THR B 208 6.674 3.310 10.620 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.868 2.758 11.155 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.944 4.797 10.336 1.00 0.00 C ATOM 0 H THR B 208 4.754 1.255 11.077 1.00 0.00 H new ATOM 0 HA THR B 208 5.749 3.654 12.462 1.00 0.00 H new ATOM 0 HB THR B 208 6.396 2.807 9.694 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.004 1.858 10.792 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.792 4.890 9.658 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.063 5.246 9.878 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.169 5.311 11.271 1.00 0.00 H new ATOM 1483 N SER B 209 3.524 4.522 11.365 1.00 0.00 N ATOM 1484 CA SER B 209 2.391 5.086 10.701 1.00 0.00 C ATOM 1485 C SER B 209 2.850 6.000 9.617 1.00 0.00 C ATOM 1486 O SER B 209 3.561 6.969 9.876 1.00 0.00 O ATOM 1487 CB SER B 209 1.416 5.854 11.610 1.00 0.00 C ATOM 1488 OG SER B 209 2.007 6.983 12.237 1.00 0.00 O ATOM 0 H SER B 209 3.714 4.944 12.274 1.00 0.00 H new ATOM 0 HA SER B 209 1.836 4.233 10.311 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.560 6.181 11.020 1.00 0.00 H new ATOM 0 HB3 SER B 209 1.035 5.179 12.376 1.00 0.00 H new ATOM 0 HG SER B 209 2.680 7.373 11.641 1.00 0.00 H new ATOM 1494 N VAL B 210 2.481 5.723 8.353 1.00 0.00 N ATOM 1495 CA VAL B 210 3.067 6.355 7.212 1.00 0.00 C ATOM 1496 C VAL B 210 2.019 6.142 6.128 1.00 0.00 C ATOM 1497 O VAL B 210 0.968 5.497 6.387 1.00 0.00 O ATOM 1498 CB VAL B 210 4.433 5.828 6.886 1.00 0.00 C ATOM 1499 CG1 VAL B 210 4.437 4.443 6.215 1.00 0.00 C ATOM 1500 CG2 VAL B 210 5.212 6.864 6.059 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.198 6.728 5.027 1.00 0.00 O ATOM 0 H VAL B 210 1.758 5.043 8.119 1.00 0.00 H new ATOM 0 HA VAL B 210 3.280 7.414 7.361 1.00 0.00 H new ATOM 0 HB VAL B 210 4.939 5.670 7.839 1.00 0.00 H new ATOM 0 HG11 VAL B 210 5.464 4.139 6.014 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.966 3.716 6.877 1.00 0.00 H new ATOM 0 HG13 VAL B 210 3.883 4.491 5.277 1.00 0.00 H new ATOM 0 HG21 VAL B 210 6.203 6.473 5.827 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.676 7.068 5.132 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.311 7.786 6.631 1.00 0.00 H new