USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 469 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 40 SER OG : rot 53:sc= 0.312 USER MOD Set 1.2: A 48 ASN : amide:sc= -1.59 K(o=-1.3,f=1.7) USER MOD Single : A 2 SER OG : rot 32:sc= -0.815 USER MOD Single : A 2ALYS NZ :NH3+ -153:sc= -0.0332 (180deg=-0.423) USER MOD Single : A 5 LYS NZ :NH3+ -155:sc= -0.713 (180deg=-2.1!) USER MOD Single : A 6 THR OG1 : rot -108:sc= -0.642 USER MOD Single : A 10 SER OG : rot -123:sc= 1.22 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0381 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -140:sc= -2.29! USER MOD Single : A 18 HIS : no HD1:sc= -0.741 K(o=-0.74,f=-0.031) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 61:sc= 0.0136 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.0641 USER MOD Single : A 139 SER OG : rot -5:sc= 0.774 USER MOD Single : A 140 HIS : no HE2:sc= -8.84! C(o=-8.8!,f=-11!) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 4.219 8.185 6.765 1.00 0.00 N ATOM 11 CA SER A 2 3.935 7.209 7.810 1.00 0.00 C ATOM 12 C SER A 2 5.166 6.362 8.114 1.00 0.00 C ATOM 13 O SER A 2 5.825 6.550 9.136 1.00 0.00 O ATOM 14 CB SER A 2 2.773 6.306 7.390 1.00 0.00 C ATOM 15 OG SER A 2 1.545 7.013 7.408 1.00 0.00 O ATOM 0 HA SER A 2 3.658 7.752 8.714 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.956 5.914 6.389 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.713 5.449 8.061 1.00 0.00 H new ATOM 0 HG SER A 2 1.705 7.952 7.178 1.00 0.00 H new ATOM 21 N LYS A 2A 5.469 5.427 7.219 1.00 0.00 N ATOM 22 CA LYS A 2A 6.620 4.549 7.390 1.00 0.00 C ATOM 23 C LYS A 2A 7.247 4.204 6.043 1.00 0.00 C ATOM 24 O LYS A 2A 7.815 3.126 5.869 1.00 0.00 O ATOM 25 CB LYS A 2A 6.200 3.268 8.112 1.00 0.00 C ATOM 26 CG LYS A 2A 5.918 3.469 9.593 1.00 0.00 C ATOM 27 CD LYS A 2A 4.426 3.448 9.886 1.00 0.00 C ATOM 28 CE LYS A 2A 4.016 4.608 10.779 1.00 0.00 C ATOM 29 NZ LYS A 2A 4.838 4.671 12.019 1.00 0.00 N ATOM 0 H LYS A 2A 4.933 5.258 6.368 1.00 0.00 H new ATOM 0 HA LYS A 2A 7.363 5.074 7.991 1.00 0.00 H new ATOM 0 HB2 LYS A 2A 5.308 2.866 7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 2A 6.987 2.522 7.998 1.00 0.00 H new ATOM 0 HG2 LYS A 2A 6.413 2.687 10.168 1.00 0.00 H new ATOM 0 HG3 LYS A 2A 6.340 4.420 9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 2A 3.870 3.494 8.950 1.00 0.00 H new ATOM 0 HD3 LYS A 2A 4.162 2.506 10.367 1.00 0.00 H new ATOM 0 HE2 LYS A 2A 4.117 5.543 10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 2A 2.964 4.507 11.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 2A 4.289 5.126 12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 2A 5.100 3.708 12.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 2A 5.700 5.223 11.836 1.00 0.00 H new ATOM 43 N LEU A 2B 7.137 5.126 5.092 1.00 0.00 N ATOM 44 CA LEU A 2B 7.691 4.919 3.759 1.00 0.00 C ATOM 45 C LEU A 2B 9.031 5.632 3.612 1.00 0.00 C ATOM 46 O LEU A 2B 9.331 6.568 4.354 1.00 0.00 O ATOM 47 CB LEU A 2B 6.713 5.424 2.697 1.00 0.00 C ATOM 48 CG LEU A 2B 5.497 4.528 2.451 1.00 0.00 C ATOM 49 CD1 LEU A 2B 4.718 4.313 3.739 1.00 0.00 C ATOM 50 CD2 LEU A 2B 4.602 5.134 1.380 1.00 0.00 C ATOM 0 H LEU A 2B 6.669 6.023 5.220 1.00 0.00 H new ATOM 0 HA LEU A 2B 7.851 3.850 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 2B 6.362 6.413 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 2B 7.252 5.543 1.757 1.00 0.00 H new ATOM 0 HG LEU A 2B 5.849 3.558 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 2B 3.858 3.673 3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 2B 5.362 3.837 4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 2B 4.375 5.274 4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 2B 3.741 4.486 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 2B 4.260 6.116 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 2B 5.163 5.234 0.451 1.00 0.00 H new ATOM 62 N GLU A 3 9.835 5.186 2.651 1.00 0.00 N ATOM 63 CA GLU A 3 11.143 5.787 2.412 1.00 0.00 C ATOM 64 C GLU A 3 11.840 5.138 1.218 1.00 0.00 C ATOM 65 O GLU A 3 13.023 4.804 1.285 1.00 0.00 O ATOM 66 CB GLU A 3 12.020 5.662 3.660 1.00 0.00 C ATOM 67 CG GLU A 3 12.121 4.242 4.190 1.00 0.00 C ATOM 68 CD GLU A 3 13.188 4.093 5.257 1.00 0.00 C ATOM 69 OE1 GLU A 3 14.203 4.817 5.188 1.00 0.00 O ATOM 70 OE2 GLU A 3 13.007 3.253 6.164 1.00 0.00 O ATOM 0 H GLU A 3 9.605 4.413 2.027 1.00 0.00 H new ATOM 0 HA GLU A 3 10.990 6.842 2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.021 6.027 3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 3 11.618 6.306 4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.157 3.942 4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.340 3.565 3.365 1.00 0.00 H new ATOM 77 N GLY A 4 11.103 4.964 0.124 1.00 0.00 N ATOM 78 CA GLY A 4 11.679 4.360 -1.064 1.00 0.00 C ATOM 79 C GLY A 4 10.760 3.343 -1.714 1.00 0.00 C ATOM 80 O GLY A 4 10.017 3.670 -2.640 1.00 0.00 O ATOM 0 H GLY A 4 10.122 5.229 0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.915 5.142 -1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.619 3.876 -0.800 1.00 0.00 H new ATOM 84 N LYS A 5 10.817 2.104 -1.233 1.00 0.00 N ATOM 85 CA LYS A 5 9.992 1.028 -1.776 1.00 0.00 C ATOM 86 C LYS A 5 10.462 0.639 -3.174 1.00 0.00 C ATOM 87 O LYS A 5 11.551 1.022 -3.600 1.00 0.00 O ATOM 88 CB LYS A 5 8.518 1.443 -1.814 1.00 0.00 C ATOM 89 CG LYS A 5 8.033 2.075 -0.521 1.00 0.00 C ATOM 90 CD LYS A 5 8.198 1.125 0.655 1.00 0.00 C ATOM 91 CE LYS A 5 8.857 1.813 1.839 1.00 0.00 C ATOM 92 NZ LYS A 5 10.327 1.958 1.649 1.00 0.00 N ATOM 0 H LYS A 5 11.427 1.820 -0.467 1.00 0.00 H new ATOM 0 HA LYS A 5 10.095 0.163 -1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.368 2.148 -2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.908 0.567 -2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.590 2.992 -0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.984 2.354 -0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.223 0.741 0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.799 0.268 0.350 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.411 2.797 1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.663 1.240 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.792 2.022 2.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.694 1.132 1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.523 2.821 1.103 1.00 0.00 H new ATOM 106 N THR A 6 9.637 -0.124 -3.883 1.00 0.00 N ATOM 107 CA THR A 6 9.977 -0.562 -5.233 1.00 0.00 C ATOM 108 C THR A 6 9.326 0.349 -6.272 1.00 0.00 C ATOM 109 O THR A 6 9.966 0.765 -7.237 1.00 0.00 O ATOM 110 CB THR A 6 9.554 -2.024 -5.459 1.00 0.00 C ATOM 111 OG1 THR A 6 8.524 -2.114 -6.428 1.00 0.00 O ATOM 112 CG2 THR A 6 9.060 -2.722 -4.207 1.00 0.00 C ATOM 0 H THR A 6 8.731 -0.451 -3.547 1.00 0.00 H new ATOM 0 HA THR A 6 11.059 -0.500 -5.346 1.00 0.00 H new ATOM 0 HB THR A 6 10.463 -2.522 -5.797 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.679 -2.344 -5.987 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.781 -3.748 -4.448 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.851 -2.728 -3.457 1.00 0.00 H new ATOM 0 HG23 THR A 6 8.192 -2.193 -3.814 1.00 0.00 H new ATOM 120 N CYS A 7 8.051 0.659 -6.059 1.00 0.00 N ATOM 121 CA CYS A 7 7.303 1.527 -6.966 1.00 0.00 C ATOM 122 C CYS A 7 7.334 0.997 -8.397 1.00 0.00 C ATOM 123 O CYS A 7 7.126 1.748 -9.350 1.00 0.00 O ATOM 124 CB CYS A 7 7.856 2.958 -6.933 1.00 0.00 C ATOM 125 SG CYS A 7 8.861 3.355 -5.462 1.00 0.00 S ATOM 0 H CYS A 7 7.511 0.321 -5.263 1.00 0.00 H new ATOM 0 HA CYS A 7 6.268 1.537 -6.624 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.462 3.119 -7.824 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.021 3.657 -6.985 1.00 0.00 H new ATOM 130 N GLY A 8 7.584 -0.300 -8.544 1.00 0.00 N ATOM 131 CA GLY A 8 7.625 -0.901 -9.865 1.00 0.00 C ATOM 132 C GLY A 8 6.386 -1.726 -10.150 1.00 0.00 C ATOM 133 O GLY A 8 5.464 -1.254 -10.816 1.00 0.00 O ATOM 0 H GLY A 8 7.759 -0.945 -7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.720 -0.118 -10.617 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.509 -1.533 -9.949 1.00 0.00 H new ATOM 137 N PRO A 9 6.326 -2.967 -9.641 1.00 0.00 N ATOM 138 CA PRO A 9 5.172 -3.848 -9.838 1.00 0.00 C ATOM 139 C PRO A 9 3.926 -3.283 -9.156 1.00 0.00 C ATOM 140 O PRO A 9 3.732 -2.069 -9.133 1.00 0.00 O ATOM 141 CB PRO A 9 5.610 -5.172 -9.186 1.00 0.00 C ATOM 142 CG PRO A 9 7.087 -5.064 -9.028 1.00 0.00 C ATOM 143 CD PRO A 9 7.366 -3.606 -8.824 1.00 0.00 C ATOM 0 HA PRO A 9 4.903 -3.964 -10.888 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.121 -5.316 -8.223 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.343 -6.025 -9.810 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.434 -5.652 -8.178 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.604 -5.442 -9.910 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.290 -3.321 -7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.368 -3.334 -9.156 1.00 0.00 H new ATOM 151 N SER A 10 3.088 -4.155 -8.598 1.00 0.00 N ATOM 152 CA SER A 10 1.875 -3.716 -7.916 1.00 0.00 C ATOM 153 C SER A 10 2.202 -2.697 -6.825 1.00 0.00 C ATOM 154 O SER A 10 2.402 -3.055 -5.664 1.00 0.00 O ATOM 155 CB SER A 10 1.147 -4.915 -7.308 1.00 0.00 C ATOM 156 OG SER A 10 0.211 -5.460 -8.223 1.00 0.00 O ATOM 0 H SER A 10 3.227 -5.165 -8.605 1.00 0.00 H new ATOM 0 HA SER A 10 1.226 -3.239 -8.651 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.871 -5.679 -7.025 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.634 -4.609 -6.396 1.00 0.00 H new ATOM 0 HG SER A 10 -0.681 -5.460 -7.817 1.00 0.00 H new ATOM 162 N SER A 11 2.256 -1.426 -7.211 1.00 0.00 N ATOM 163 CA SER A 11 2.559 -0.348 -6.277 1.00 0.00 C ATOM 164 C SER A 11 1.803 0.920 -6.654 1.00 0.00 C ATOM 165 O SER A 11 1.286 1.040 -7.765 1.00 0.00 O ATOM 166 CB SER A 11 4.064 -0.071 -6.254 1.00 0.00 C ATOM 167 OG SER A 11 4.767 -1.123 -5.616 1.00 0.00 O ATOM 0 H SER A 11 2.093 -1.117 -8.169 1.00 0.00 H new ATOM 0 HA SER A 11 2.241 -0.660 -5.282 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.430 0.049 -7.274 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.256 0.867 -5.733 1.00 0.00 H new ATOM 0 HG SER A 11 5.726 -0.923 -5.616 1.00 0.00 H new ATOM 173 N PHE A 12 1.742 1.864 -5.722 1.00 0.00 N ATOM 174 CA PHE A 12 1.048 3.124 -5.954 1.00 0.00 C ATOM 175 C PHE A 12 1.888 4.301 -5.465 1.00 0.00 C ATOM 176 O PHE A 12 2.372 4.302 -4.335 1.00 0.00 O ATOM 177 CB PHE A 12 -0.310 3.116 -5.247 1.00 0.00 C ATOM 178 CG PHE A 12 -0.980 4.461 -5.205 1.00 0.00 C ATOM 179 CD1 PHE A 12 -1.486 5.035 -6.360 1.00 0.00 C ATOM 180 CD2 PHE A 12 -1.102 5.150 -4.009 1.00 0.00 C ATOM 181 CE1 PHE A 12 -2.100 6.272 -6.323 1.00 0.00 C ATOM 182 CE2 PHE A 12 -1.715 6.387 -3.965 1.00 0.00 C ATOM 183 CZ PHE A 12 -2.216 6.949 -5.124 1.00 0.00 C ATOM 0 H PHE A 12 2.165 1.780 -4.798 1.00 0.00 H new ATOM 0 HA PHE A 12 0.889 3.237 -7.026 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.968 2.408 -5.752 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.176 2.755 -4.227 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.399 4.510 -7.300 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.713 4.715 -3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.489 6.710 -7.231 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.803 6.914 -3.026 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.697 7.915 -5.093 1.00 0.00 H new ATOM 193 N SER A 13 2.055 5.303 -6.320 1.00 0.00 N ATOM 194 CA SER A 13 2.834 6.482 -5.965 1.00 0.00 C ATOM 195 C SER A 13 2.009 7.440 -5.107 1.00 0.00 C ATOM 196 O SER A 13 0.999 7.979 -5.559 1.00 0.00 O ATOM 197 CB SER A 13 3.326 7.193 -7.228 1.00 0.00 C ATOM 198 OG SER A 13 4.742 7.213 -7.283 1.00 0.00 O ATOM 0 H SER A 13 1.663 5.322 -7.261 1.00 0.00 H new ATOM 0 HA SER A 13 3.697 6.158 -5.384 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.932 6.688 -8.110 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.944 8.214 -7.247 1.00 0.00 H new ATOM 0 HG SER A 13 5.031 7.671 -8.100 1.00 0.00 H new ATOM 204 N CYS A 14 2.445 7.647 -3.865 1.00 0.00 N ATOM 205 CA CYS A 14 1.744 8.539 -2.945 1.00 0.00 C ATOM 206 C CYS A 14 1.555 9.924 -3.573 1.00 0.00 C ATOM 207 O CYS A 14 2.523 10.564 -3.983 1.00 0.00 O ATOM 208 CB CYS A 14 2.517 8.660 -1.627 1.00 0.00 C ATOM 209 SG CYS A 14 2.067 7.426 -0.356 1.00 0.00 S ATOM 0 H CYS A 14 3.279 7.209 -3.474 1.00 0.00 H new ATOM 0 HA CYS A 14 0.761 8.114 -2.740 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.583 8.571 -1.838 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.355 9.657 -1.218 1.00 0.00 H new ATOM 214 N PRO A 15 0.299 10.402 -3.663 1.00 0.00 N ATOM 215 CA PRO A 15 -0.019 11.711 -4.251 1.00 0.00 C ATOM 216 C PRO A 15 0.509 12.874 -3.419 1.00 0.00 C ATOM 217 O PRO A 15 0.418 12.866 -2.191 1.00 0.00 O ATOM 218 CB PRO A 15 -1.555 11.741 -4.279 1.00 0.00 C ATOM 219 CG PRO A 15 -1.987 10.335 -4.044 1.00 0.00 C ATOM 220 CD PRO A 15 -0.911 9.710 -3.209 1.00 0.00 C ATOM 0 HA PRO A 15 0.443 11.825 -5.232 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.948 12.406 -3.510 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.923 12.109 -5.237 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.948 10.302 -3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.110 9.801 -4.986 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.087 9.861 -2.144 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.847 8.634 -3.372 1.00 0.00 H new ATOM 228 N GLY A 16 1.053 13.879 -4.099 1.00 0.00 N ATOM 229 CA GLY A 16 1.581 15.045 -3.412 1.00 0.00 C ATOM 230 C GLY A 16 3.017 14.863 -2.958 1.00 0.00 C ATOM 231 O GLY A 16 3.828 15.782 -3.064 1.00 0.00 O ATOM 0 H GLY A 16 1.138 13.907 -5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.521 15.909 -4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.956 15.264 -2.546 1.00 0.00 H new ATOM 235 N THR A 17 3.330 13.677 -2.448 1.00 0.00 N ATOM 236 CA THR A 17 4.673 13.379 -1.971 1.00 0.00 C ATOM 237 C THR A 17 5.499 12.692 -3.050 1.00 0.00 C ATOM 238 O THR A 17 4.960 12.178 -4.031 1.00 0.00 O ATOM 239 CB THR A 17 4.604 12.489 -0.730 1.00 0.00 C ATOM 240 OG1 THR A 17 3.708 11.410 -0.935 1.00 0.00 O ATOM 241 CG2 THR A 17 4.154 13.226 0.512 1.00 0.00 C ATOM 0 H THR A 17 2.669 12.905 -2.355 1.00 0.00 H new ATOM 0 HA THR A 17 5.157 14.322 -1.716 1.00 0.00 H new ATOM 0 HB THR A 17 5.623 12.134 -0.574 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.192 11.253 -0.117 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.127 12.536 1.355 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.852 14.035 0.728 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.158 13.639 0.349 1.00 0.00 H new ATOM 249 N HIS A 18 6.812 12.672 -2.849 1.00 0.00 N ATOM 250 CA HIS A 18 7.726 12.031 -3.788 1.00 0.00 C ATOM 251 C HIS A 18 7.946 10.571 -3.398 1.00 0.00 C ATOM 252 O HIS A 18 8.925 9.947 -3.807 1.00 0.00 O ATOM 253 CB HIS A 18 9.065 12.769 -3.798 1.00 0.00 C ATOM 254 CG HIS A 18 9.665 12.913 -2.434 1.00 0.00 C ATOM 255 ND1 HIS A 18 10.569 12.025 -1.894 1.00 0.00 N ATOM 256 CD2 HIS A 18 9.462 13.862 -1.486 1.00 0.00 C ATOM 257 CE1 HIS A 18 10.878 12.451 -0.662 1.00 0.00 C ATOM 258 NE2 HIS A 18 10.234 13.563 -0.367 1.00 0.00 N ATOM 0 H HIS A 18 7.269 13.094 -2.041 1.00 0.00 H new ATOM 0 HA HIS A 18 7.287 12.069 -4.785 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.764 12.234 -4.441 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.925 13.758 -4.233 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.806 14.714 -1.584 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.565 11.949 0.003 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.290 14.094 0.502 1.00 0.00 H new ATOM 266 N VAL A 19 7.033 10.043 -2.589 1.00 0.00 N ATOM 267 CA VAL A 19 7.116 8.670 -2.118 1.00 0.00 C ATOM 268 C VAL A 19 6.156 7.761 -2.883 1.00 0.00 C ATOM 269 O VAL A 19 5.140 8.216 -3.410 1.00 0.00 O ATOM 270 CB VAL A 19 6.799 8.602 -0.610 1.00 0.00 C ATOM 271 CG1 VAL A 19 5.476 9.290 -0.308 1.00 0.00 C ATOM 272 CG2 VAL A 19 6.784 7.163 -0.118 1.00 0.00 C ATOM 0 H VAL A 19 6.220 10.554 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 19 8.134 8.321 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 19 7.589 9.130 -0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.271 9.231 0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.533 10.336 -0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.675 8.797 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.558 7.145 0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.023 6.601 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.760 6.710 -0.289 1.00 0.00 H new ATOM 282 N CYS A 20 6.485 6.473 -2.934 1.00 0.00 N ATOM 283 CA CYS A 20 5.652 5.496 -3.629 1.00 0.00 C ATOM 284 C CYS A 20 5.294 4.338 -2.705 1.00 0.00 C ATOM 285 O CYS A 20 6.163 3.574 -2.283 1.00 0.00 O ATOM 286 CB CYS A 20 6.356 4.969 -4.887 1.00 0.00 C ATOM 287 SG CYS A 20 8.170 5.171 -4.880 1.00 0.00 S ATOM 0 H CYS A 20 7.322 6.082 -2.502 1.00 0.00 H new ATOM 0 HA CYS A 20 4.733 5.998 -3.933 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.121 3.911 -5.003 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.949 5.483 -5.758 1.00 0.00 H new ATOM 292 N VAL A 21 4.009 4.220 -2.390 1.00 0.00 N ATOM 293 CA VAL A 21 3.530 3.163 -1.511 1.00 0.00 C ATOM 294 C VAL A 21 3.015 1.963 -2.310 1.00 0.00 C ATOM 295 O VAL A 21 2.205 2.118 -3.222 1.00 0.00 O ATOM 296 CB VAL A 21 2.414 3.678 -0.581 1.00 0.00 C ATOM 297 CG1 VAL A 21 1.118 3.901 -1.349 1.00 0.00 C ATOM 298 CG2 VAL A 21 2.204 2.718 0.577 1.00 0.00 C ATOM 0 H VAL A 21 3.280 4.846 -2.732 1.00 0.00 H new ATOM 0 HA VAL A 21 4.378 2.843 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 21 2.725 4.641 -0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.349 4.264 -0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.283 4.638 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.793 2.961 -1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.413 3.096 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.920 1.739 0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.128 2.629 1.148 1.00 0.00 H new ATOM 308 N PRO A 22 3.484 0.746 -1.979 1.00 0.00 N ATOM 309 CA PRO A 22 3.071 -0.479 -2.677 1.00 0.00 C ATOM 310 C PRO A 22 1.572 -0.746 -2.577 1.00 0.00 C ATOM 311 O PRO A 22 0.867 -0.117 -1.787 1.00 0.00 O ATOM 312 CB PRO A 22 3.854 -1.586 -1.965 1.00 0.00 C ATOM 313 CG PRO A 22 4.976 -0.890 -1.275 1.00 0.00 C ATOM 314 CD PRO A 22 4.457 0.466 -0.911 1.00 0.00 C ATOM 0 HA PRO A 22 3.273 -0.411 -3.746 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.224 -2.118 -1.253 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.226 -2.324 -2.675 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.289 -1.439 -0.387 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.847 -0.813 -1.926 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.988 0.468 0.073 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.254 1.210 -0.886 1.00 0.00 H new ATOM 322 N GLU A 23 1.093 -1.688 -3.389 1.00 0.00 N ATOM 323 CA GLU A 23 -0.322 -2.047 -3.403 1.00 0.00 C ATOM 324 C GLU A 23 -0.763 -2.624 -2.061 1.00 0.00 C ATOM 325 O GLU A 23 -1.808 -2.251 -1.532 1.00 0.00 O ATOM 326 CB GLU A 23 -0.605 -3.052 -4.522 1.00 0.00 C ATOM 327 CG GLU A 23 -1.863 -2.738 -5.314 1.00 0.00 C ATOM 328 CD GLU A 23 -2.385 -3.934 -6.085 1.00 0.00 C ATOM 329 OE1 GLU A 23 -1.572 -4.621 -6.738 1.00 0.00 O ATOM 330 OE2 GLU A 23 -3.607 -4.185 -6.037 1.00 0.00 O ATOM 0 H GLU A 23 1.667 -2.216 -4.046 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.893 -1.137 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.247 -3.076 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.696 -4.049 -4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.637 -2.385 -4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.655 -1.925 -6.010 1.00 0.00 H new ATOM 337 N ARG A 24 0.034 -3.532 -1.508 1.00 0.00 N ATOM 338 CA ARG A 24 -0.294 -4.145 -0.223 1.00 0.00 C ATOM 339 C ARG A 24 -0.482 -3.075 0.853 1.00 0.00 C ATOM 340 O ARG A 24 -1.111 -3.320 1.882 1.00 0.00 O ATOM 341 CB ARG A 24 0.803 -5.147 0.184 1.00 0.00 C ATOM 342 CG ARG A 24 1.010 -5.304 1.689 1.00 0.00 C ATOM 343 CD ARG A 24 -0.127 -6.074 2.338 1.00 0.00 C ATOM 344 NE ARG A 24 0.285 -6.702 3.591 1.00 0.00 N ATOM 345 CZ ARG A 24 -0.566 -7.189 4.491 1.00 0.00 C ATOM 346 NH1 ARG A 24 -1.875 -7.125 4.279 1.00 0.00 N ATOM 347 NH2 ARG A 24 -0.107 -7.743 5.604 1.00 0.00 N ATOM 0 H ARG A 24 0.906 -3.859 -1.925 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.234 -4.687 -0.325 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.557 -6.122 -0.237 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.745 -4.834 -0.266 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.951 -5.821 1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.091 -4.319 2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.961 -5.398 2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.487 -6.839 1.650 1.00 0.00 H new ATOM 0 HE ARG A 24 1.283 -6.771 3.788 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.233 -6.701 3.423 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.523 -7.500 4.972 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.898 -7.796 5.770 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.759 -8.116 6.294 1.00 0.00 H new ATOM 361 N TRP A 25 0.070 -1.891 0.611 1.00 0.00 N ATOM 362 CA TRP A 25 -0.033 -0.794 1.562 1.00 0.00 C ATOM 363 C TRP A 25 -1.220 0.112 1.237 1.00 0.00 C ATOM 364 O TRP A 25 -1.373 1.176 1.832 1.00 0.00 O ATOM 365 CB TRP A 25 1.257 0.028 1.554 1.00 0.00 C ATOM 366 CG TRP A 25 2.489 -0.764 1.884 1.00 0.00 C ATOM 367 CD1 TRP A 25 2.667 -2.111 1.746 1.00 0.00 C ATOM 368 CD2 TRP A 25 3.723 -0.250 2.402 1.00 0.00 C ATOM 369 NE1 TRP A 25 3.930 -2.466 2.148 1.00 0.00 N ATOM 370 CE2 TRP A 25 4.599 -1.343 2.554 1.00 0.00 C ATOM 371 CE3 TRP A 25 4.174 1.026 2.752 1.00 0.00 C ATOM 372 CZ2 TRP A 25 5.895 -1.198 3.038 1.00 0.00 C ATOM 373 CZ3 TRP A 25 5.463 1.167 3.234 1.00 0.00 C ATOM 374 CH2 TRP A 25 6.310 0.061 3.372 1.00 0.00 C ATOM 0 H TRP A 25 0.593 -1.668 -0.236 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.189 -1.222 2.552 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.381 0.480 0.570 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.160 0.844 2.270 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.921 -2.798 1.374 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.309 -3.413 2.145 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.528 1.885 2.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.550 -2.050 3.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 5.822 2.148 3.509 1.00 0.00 H new ATOM 0 HH2 TRP A 25 7.311 0.205 3.750 1.00 0.00 H new ATOM 385 N LEU A 26 -2.055 -0.303 0.290 1.00 0.00 N ATOM 386 CA LEU A 26 -3.213 0.490 -0.097 1.00 0.00 C ATOM 387 C LEU A 26 -4.369 0.284 0.872 1.00 0.00 C ATOM 388 O LEU A 26 -4.804 1.221 1.535 1.00 0.00 O ATOM 389 CB LEU A 26 -3.649 0.136 -1.520 1.00 0.00 C ATOM 390 CG LEU A 26 -3.098 1.043 -2.627 1.00 0.00 C ATOM 391 CD1 LEU A 26 -1.641 1.419 -2.372 1.00 0.00 C ATOM 392 CD2 LEU A 26 -3.236 0.358 -3.976 1.00 0.00 C ATOM 0 H LEU A 26 -1.951 -1.180 -0.221 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.926 1.541 -0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.344 -0.889 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.738 0.160 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.682 1.964 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.285 2.062 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.563 1.949 -1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.033 0.515 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.842 1.009 -4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.677 -0.578 -3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.288 0.151 -4.173 1.00 0.00 H new ATOM 404 N CYS A 27 -4.867 -0.943 0.946 1.00 0.00 N ATOM 405 CA CYS A 27 -5.980 -1.262 1.835 1.00 0.00 C ATOM 406 C CYS A 27 -5.522 -2.136 2.999 1.00 0.00 C ATOM 407 O CYS A 27 -6.159 -3.139 3.322 1.00 0.00 O ATOM 408 CB CYS A 27 -7.089 -1.971 1.056 1.00 0.00 C ATOM 409 SG CYS A 27 -7.465 -1.215 -0.556 1.00 0.00 S ATOM 0 H CYS A 27 -4.520 -1.734 0.403 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.366 -0.327 2.241 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.801 -3.010 0.899 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.995 -1.979 1.662 1.00 0.00 H new ATOM 414 N ASP A 28 -4.416 -1.752 3.630 1.00 0.00 N ATOM 415 CA ASP A 28 -3.885 -2.507 4.759 1.00 0.00 C ATOM 416 C ASP A 28 -4.625 -2.156 6.049 1.00 0.00 C ATOM 417 O ASP A 28 -4.641 -2.939 6.999 1.00 0.00 O ATOM 418 CB ASP A 28 -2.384 -2.251 4.918 1.00 0.00 C ATOM 419 CG ASP A 28 -2.073 -0.858 5.430 1.00 0.00 C ATOM 420 OD1 ASP A 28 -3.003 -0.029 5.503 1.00 0.00 O ATOM 421 OD2 ASP A 28 -0.896 -0.594 5.756 1.00 0.00 O ATOM 0 H ASP A 28 -3.873 -0.926 3.380 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.038 -3.567 4.557 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.966 -2.987 5.605 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.892 -2.397 3.956 1.00 0.00 H new ATOM 426 N GLY A 29 -5.241 -0.975 6.075 1.00 0.00 N ATOM 427 CA GLY A 29 -5.975 -0.546 7.251 1.00 0.00 C ATOM 428 C GLY A 29 -5.367 0.674 7.920 1.00 0.00 C ATOM 429 O GLY A 29 -5.566 0.895 9.115 1.00 0.00 O ATOM 0 H GLY A 29 -5.244 -0.309 5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.004 -0.323 6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.012 -1.366 7.968 1.00 0.00 H new ATOM 433 N ASP A 30 -4.628 1.470 7.153 1.00 0.00 N ATOM 434 CA ASP A 30 -3.996 2.675 7.685 1.00 0.00 C ATOM 435 C ASP A 30 -3.575 3.609 6.555 1.00 0.00 C ATOM 436 O ASP A 30 -3.285 3.165 5.450 1.00 0.00 O ATOM 437 CB ASP A 30 -2.779 2.306 8.535 1.00 0.00 C ATOM 438 CG ASP A 30 -3.160 1.901 9.945 1.00 0.00 C ATOM 439 OD1 ASP A 30 -3.626 2.774 10.708 1.00 0.00 O ATOM 440 OD2 ASP A 30 -2.993 0.712 10.287 1.00 0.00 O ATOM 0 H ASP A 30 -4.452 1.304 6.162 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.724 3.192 8.311 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.241 1.487 8.058 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.097 3.155 8.576 1.00 0.00 H new ATOM 445 N LYS A 31 -3.543 4.906 6.833 1.00 0.00 N ATOM 446 CA LYS A 31 -3.156 5.884 5.822 1.00 0.00 C ATOM 447 C LYS A 31 -1.647 6.101 5.821 1.00 0.00 C ATOM 448 O LYS A 31 -1.127 6.924 6.574 1.00 0.00 O ATOM 449 CB LYS A 31 -3.873 7.211 6.062 1.00 0.00 C ATOM 450 CG LYS A 31 -5.380 7.121 5.902 1.00 0.00 C ATOM 451 CD LYS A 31 -6.050 8.454 6.187 1.00 0.00 C ATOM 452 CE LYS A 31 -7.234 8.693 5.265 1.00 0.00 C ATOM 453 NZ LYS A 31 -8.533 8.557 5.982 1.00 0.00 N ATOM 0 H LYS A 31 -3.778 5.304 7.742 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.449 5.493 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.642 7.563 7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.485 7.956 5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.621 6.801 4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.774 6.362 6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.385 8.479 7.224 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.325 9.259 6.066 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.161 9.691 4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.200 7.983 4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.315 8.727 5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.614 7.597 6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.577 9.251 6.755 1.00 0.00 H new ATOM 467 N ASP A 32 -0.951 5.359 4.968 1.00 0.00 N ATOM 468 CA ASP A 32 0.500 5.472 4.863 1.00 0.00 C ATOM 469 C ASP A 32 0.889 6.735 4.108 1.00 0.00 C ATOM 470 O ASP A 32 1.855 7.412 4.462 1.00 0.00 O ATOM 471 CB ASP A 32 1.085 4.243 4.169 1.00 0.00 C ATOM 472 CG ASP A 32 0.678 4.134 2.713 1.00 0.00 C ATOM 473 OD1 ASP A 32 1.074 5.010 1.917 1.00 0.00 O ATOM 474 OD2 ASP A 32 -0.029 3.165 2.368 1.00 0.00 O ATOM 0 H ASP A 32 -1.367 4.673 4.339 1.00 0.00 H new ATOM 0 HA ASP A 32 0.909 5.532 5.872 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.172 4.279 4.235 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.763 3.346 4.698 1.00 0.00 H new ATOM 479 N CYS A 33 0.127 7.050 3.067 1.00 0.00 N ATOM 480 CA CYS A 33 0.391 8.237 2.264 1.00 0.00 C ATOM 481 C CYS A 33 0.200 9.496 3.103 1.00 0.00 C ATOM 482 O CYS A 33 -0.028 9.420 4.310 1.00 0.00 O ATOM 483 CB CYS A 33 -0.537 8.282 1.044 1.00 0.00 C ATOM 484 SG CYS A 33 0.035 7.329 -0.409 1.00 0.00 S ATOM 0 H CYS A 33 -0.676 6.501 2.760 1.00 0.00 H new ATOM 0 HA CYS A 33 1.424 8.191 1.918 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.517 7.908 1.340 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.669 9.322 0.747 1.00 0.00 H new ATOM 489 N ALA A 34 0.299 10.651 2.458 1.00 0.00 N ATOM 490 CA ALA A 34 0.140 11.924 3.147 1.00 0.00 C ATOM 491 C ALA A 34 -1.309 12.156 3.565 1.00 0.00 C ATOM 492 O ALA A 34 -1.574 12.664 4.655 1.00 0.00 O ATOM 493 CB ALA A 34 0.620 13.059 2.259 1.00 0.00 C ATOM 0 H ALA A 34 0.489 10.732 1.459 1.00 0.00 H new ATOM 0 HA ALA A 34 0.746 11.895 4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.497 14.007 2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.673 12.912 2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.035 13.074 1.339 1.00 0.00 H new ATOM 499 N ASP A 35 -2.244 11.792 2.693 1.00 0.00 N ATOM 500 CA ASP A 35 -3.664 11.975 2.979 1.00 0.00 C ATOM 501 C ASP A 35 -4.441 10.671 2.815 1.00 0.00 C ATOM 502 O ASP A 35 -5.584 10.674 2.359 1.00 0.00 O ATOM 503 CB ASP A 35 -4.252 13.050 2.065 1.00 0.00 C ATOM 504 CG ASP A 35 -4.094 14.445 2.638 1.00 0.00 C ATOM 505 OD1 ASP A 35 -4.137 14.586 3.878 1.00 0.00 O ATOM 506 OD2 ASP A 35 -3.928 15.397 1.846 1.00 0.00 O ATOM 0 H ASP A 35 -2.046 11.370 1.786 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.755 12.293 4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.764 13.002 1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.310 12.845 1.901 1.00 0.00 H new ATOM 511 N GLY A 36 -3.820 9.559 3.195 1.00 0.00 N ATOM 512 CA GLY A 36 -4.481 8.270 3.084 1.00 0.00 C ATOM 513 C GLY A 36 -4.774 7.878 1.651 1.00 0.00 C ATOM 514 O GLY A 36 -5.659 7.062 1.393 1.00 0.00 O ATOM 0 H GLY A 36 -2.875 9.526 3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.854 7.506 3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.415 8.297 3.646 1.00 0.00 H new ATOM 518 N ALA A 37 -4.023 8.449 0.715 1.00 0.00 N ATOM 519 CA ALA A 37 -4.204 8.140 -0.699 1.00 0.00 C ATOM 520 C ALA A 37 -4.140 6.637 -0.928 1.00 0.00 C ATOM 521 O ALA A 37 -4.891 6.083 -1.732 1.00 0.00 O ATOM 522 CB ALA A 37 -3.147 8.844 -1.526 1.00 0.00 C ATOM 0 H ALA A 37 -3.285 9.126 0.909 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.187 8.494 -1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.292 8.606 -2.580 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.230 9.921 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.158 8.511 -1.211 1.00 0.00 H new ATOM 528 N ASP A 38 -3.242 5.982 -0.199 1.00 0.00 N ATOM 529 CA ASP A 38 -3.075 4.539 -0.296 1.00 0.00 C ATOM 530 C ASP A 38 -4.392 3.832 -0.004 1.00 0.00 C ATOM 531 O ASP A 38 -4.784 2.904 -0.711 1.00 0.00 O ATOM 532 CB ASP A 38 -2.006 4.071 0.691 1.00 0.00 C ATOM 533 CG ASP A 38 -2.191 4.684 2.065 1.00 0.00 C ATOM 534 OD1 ASP A 38 -2.184 5.928 2.167 1.00 0.00 O ATOM 535 OD2 ASP A 38 -2.340 3.919 3.041 1.00 0.00 O ATOM 0 H ASP A 38 -2.616 6.432 0.469 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.761 4.291 -1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.039 2.984 0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.020 4.333 0.308 1.00 0.00 H new ATOM 540 N GLU A 39 -5.077 4.290 1.039 1.00 0.00 N ATOM 541 CA GLU A 39 -6.360 3.715 1.423 1.00 0.00 C ATOM 542 C GLU A 39 -7.491 4.311 0.589 1.00 0.00 C ATOM 543 O GLU A 39 -8.617 3.816 0.608 1.00 0.00 O ATOM 544 CB GLU A 39 -6.627 3.940 2.912 1.00 0.00 C ATOM 545 CG GLU A 39 -5.444 3.596 3.804 1.00 0.00 C ATOM 546 CD GLU A 39 -5.278 2.101 4.006 1.00 0.00 C ATOM 547 OE1 GLU A 39 -6.287 1.426 4.297 1.00 0.00 O ATOM 548 OE2 GLU A 39 -4.136 1.606 3.871 1.00 0.00 O ATOM 0 H GLU A 39 -4.764 5.058 1.633 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.319 2.642 1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.898 4.984 3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.485 3.339 3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.533 4.003 3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.573 4.077 4.773 1.00 0.00 H new ATOM 555 N SER A 40 -7.178 5.374 -0.150 1.00 0.00 N ATOM 556 CA SER A 40 -8.160 6.034 -0.998 1.00 0.00 C ATOM 557 C SER A 40 -8.312 5.294 -2.318 1.00 0.00 C ATOM 558 O SER A 40 -7.610 4.317 -2.580 1.00 0.00 O ATOM 559 CB SER A 40 -7.749 7.485 -1.257 1.00 0.00 C ATOM 560 OG SER A 40 -7.532 8.179 -0.041 1.00 0.00 O ATOM 0 H SER A 40 -6.249 5.795 -0.176 1.00 0.00 H new ATOM 0 HA SER A 40 -9.119 6.025 -0.481 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.840 7.507 -1.859 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.525 7.989 -1.833 1.00 0.00 H new ATOM 0 HG SER A 40 -6.895 7.679 0.512 1.00 0.00 H new ATOM 566 N ILE A 41 -9.231 5.767 -3.146 1.00 0.00 N ATOM 567 CA ILE A 41 -9.476 5.155 -4.440 1.00 0.00 C ATOM 568 C ILE A 41 -8.411 5.566 -5.451 1.00 0.00 C ATOM 569 O ILE A 41 -8.170 4.867 -6.435 1.00 0.00 O ATOM 570 CB ILE A 41 -10.869 5.531 -4.972 1.00 0.00 C ATOM 571 CG1 ILE A 41 -11.235 4.640 -6.153 1.00 0.00 C ATOM 572 CG2 ILE A 41 -10.917 7.001 -5.362 1.00 0.00 C ATOM 573 CD1 ILE A 41 -11.820 3.307 -5.741 1.00 0.00 C ATOM 0 H ILE A 41 -9.820 6.575 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.431 4.074 -4.304 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.601 5.373 -4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.952 5.164 -6.785 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.345 4.467 -6.757 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -11.911 7.246 -5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.695 7.616 -4.490 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.179 7.195 -6.140 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.058 2.723 -6.630 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.096 2.764 -5.134 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.728 3.472 -5.162 1.00 0.00 H new ATOM 585 N ALA A 42 -7.769 6.703 -5.194 1.00 0.00 N ATOM 586 CA ALA A 42 -6.721 7.209 -6.071 1.00 0.00 C ATOM 587 C ALA A 42 -5.702 6.119 -6.390 1.00 0.00 C ATOM 588 O ALA A 42 -5.064 6.135 -7.443 1.00 0.00 O ATOM 589 CB ALA A 42 -6.035 8.401 -5.420 1.00 0.00 C ATOM 0 H ALA A 42 -7.958 7.291 -4.383 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.177 7.527 -7.008 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.252 8.775 -6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.767 9.189 -5.241 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.594 8.094 -4.472 1.00 0.00 H new ATOM 595 N ALA A 43 -5.557 5.175 -5.467 1.00 0.00 N ATOM 596 CA ALA A 43 -4.621 4.071 -5.635 1.00 0.00 C ATOM 597 C ALA A 43 -5.326 2.822 -6.151 1.00 0.00 C ATOM 598 O ALA A 43 -4.697 1.937 -6.731 1.00 0.00 O ATOM 599 CB ALA A 43 -3.927 3.775 -4.315 1.00 0.00 C ATOM 0 H ALA A 43 -6.079 5.153 -4.591 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.877 4.365 -6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.229 2.949 -4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.383 4.660 -3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.671 3.504 -3.566 1.00 0.00 H new ATOM 605 N GLY A 44 -6.634 2.752 -5.928 1.00 0.00 N ATOM 606 CA GLY A 44 -7.402 1.603 -6.366 1.00 0.00 C ATOM 607 C GLY A 44 -7.819 0.729 -5.204 1.00 0.00 C ATOM 608 O GLY A 44 -7.839 -0.497 -5.312 1.00 0.00 O ATOM 0 H GLY A 44 -7.176 3.472 -5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.288 1.942 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.810 1.016 -7.068 1.00 0.00 H new ATOM 612 N CYS A 45 -8.148 1.366 -4.085 1.00 0.00 N ATOM 613 CA CYS A 45 -8.563 0.646 -2.888 1.00 0.00 C ATOM 614 C CYS A 45 -10.037 0.248 -2.955 1.00 0.00 C ATOM 615 O CYS A 45 -10.571 -0.333 -2.013 1.00 0.00 O ATOM 616 CB CYS A 45 -8.309 1.500 -1.644 1.00 0.00 C ATOM 617 SG CYS A 45 -8.304 0.569 -0.075 1.00 0.00 S ATOM 0 H CYS A 45 -8.135 2.381 -3.983 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.971 -0.267 -2.828 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.349 2.005 -1.755 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.073 2.276 -1.589 1.00 0.00 H new ATOM 622 N LEU A 46 -10.691 0.561 -4.073 1.00 0.00 N ATOM 623 CA LEU A 46 -12.101 0.231 -4.260 1.00 0.00 C ATOM 624 C LEU A 46 -13.003 1.073 -3.358 1.00 0.00 C ATOM 625 O LEU A 46 -14.196 0.797 -3.234 1.00 0.00 O ATOM 626 CB LEU A 46 -12.344 -1.259 -3.996 1.00 0.00 C ATOM 627 CG LEU A 46 -11.379 -2.225 -4.699 1.00 0.00 C ATOM 628 CD1 LEU A 46 -10.823 -1.615 -5.979 1.00 0.00 C ATOM 629 CD2 LEU A 46 -10.249 -2.625 -3.762 1.00 0.00 C ATOM 0 H LEU A 46 -10.265 1.044 -4.864 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.353 0.458 -5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.285 -1.433 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.361 -1.503 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.939 -3.120 -4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.143 -2.323 -6.454 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.643 -1.387 -6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.284 -0.698 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.575 -3.310 -4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.698 -1.736 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.663 -3.117 -2.882 1.00 0.00 H new ATOM 641 N TYR A 47 -12.433 2.102 -2.734 1.00 0.00 N ATOM 642 CA TYR A 47 -13.197 2.979 -1.852 1.00 0.00 C ATOM 643 C TYR A 47 -12.317 4.093 -1.293 1.00 0.00 C ATOM 644 O TYR A 47 -11.183 4.286 -1.732 1.00 0.00 O ATOM 645 CB TYR A 47 -13.813 2.181 -0.699 1.00 0.00 C ATOM 646 CG TYR A 47 -12.790 1.659 0.282 1.00 0.00 C ATOM 647 CD1 TYR A 47 -12.159 0.443 0.069 1.00 0.00 C ATOM 648 CD2 TYR A 47 -12.453 2.386 1.416 1.00 0.00 C ATOM 649 CE1 TYR A 47 -11.218 -0.038 0.958 1.00 0.00 C ATOM 650 CE2 TYR A 47 -11.512 1.914 2.311 1.00 0.00 C ATOM 651 CZ TYR A 47 -10.897 0.701 2.078 1.00 0.00 C ATOM 652 OH TYR A 47 -9.960 0.227 2.967 1.00 0.00 O ATOM 0 H TYR A 47 -11.447 2.348 -2.823 1.00 0.00 H new ATOM 0 HA TYR A 47 -13.996 3.428 -2.442 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.525 2.814 -0.168 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.375 1.341 -1.108 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.408 -0.138 -0.807 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.934 3.335 1.601 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.736 -0.987 0.778 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.259 2.491 3.188 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.101 0.117 2.509 1.00 0.00 H new ATOM 662 N ASN A 48 -12.853 4.819 -0.317 1.00 0.00 N ATOM 663 CA ASN A 48 -12.133 5.914 0.321 1.00 0.00 C ATOM 664 C ASN A 48 -13.026 6.603 1.347 1.00 0.00 C ATOM 665 O ASN A 48 -14.246 6.651 1.186 1.00 0.00 O ATOM 666 CB ASN A 48 -11.656 6.924 -0.727 1.00 0.00 C ATOM 667 CG ASN A 48 -11.006 8.149 -0.111 1.00 0.00 C ATOM 668 OD1 ASN A 48 -11.335 9.283 -0.462 1.00 0.00 O ATOM 669 ND2 ASN A 48 -10.078 7.928 0.812 1.00 0.00 N ATOM 0 H ASN A 48 -13.792 4.666 0.051 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.261 5.505 0.831 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.945 6.439 -1.395 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.504 7.236 -1.336 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.607 8.714 1.260 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.836 6.972 1.073 1.00 0.00 H new ATOM 744 N SER A 56 -14.538 -2.106 1.077 1.00 0.00 N ATOM 745 CA SER A 56 -15.396 -2.995 0.302 1.00 0.00 C ATOM 746 C SER A 56 -15.611 -4.319 1.030 1.00 0.00 C ATOM 747 O SER A 56 -16.736 -4.663 1.390 1.00 0.00 O ATOM 748 CB SER A 56 -14.792 -3.247 -1.082 1.00 0.00 C ATOM 749 OG SER A 56 -15.793 -3.241 -2.085 1.00 0.00 O ATOM 0 HA SER A 56 -16.364 -2.509 0.182 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.048 -2.482 -1.302 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.274 -4.206 -1.087 1.00 0.00 H new ATOM 0 HG SER A 56 -15.381 -3.402 -2.959 1.00 0.00 H new ATOM 755 N GLY A 57 -14.526 -5.058 1.247 1.00 0.00 N ATOM 756 CA GLY A 57 -14.626 -6.333 1.935 1.00 0.00 C ATOM 757 C GLY A 57 -13.428 -7.229 1.691 1.00 0.00 C ATOM 758 O GLY A 57 -12.315 -6.747 1.486 1.00 0.00 O ATOM 0 H GLY A 57 -13.583 -4.798 0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.729 -6.156 3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.530 -6.847 1.609 1.00 0.00 H new ATOM 762 N SER A 129 -13.657 -8.540 1.716 1.00 0.00 N ATOM 763 CA SER A 129 -12.588 -9.513 1.499 1.00 0.00 C ATOM 764 C SER A 129 -11.789 -9.184 0.242 1.00 0.00 C ATOM 765 O SER A 129 -10.605 -9.506 0.146 1.00 0.00 O ATOM 766 CB SER A 129 -13.170 -10.923 1.393 1.00 0.00 C ATOM 767 OG SER A 129 -14.017 -11.210 2.493 1.00 0.00 O ATOM 0 H SER A 129 -14.574 -8.954 1.884 1.00 0.00 H new ATOM 0 HA SER A 129 -11.913 -9.466 2.354 1.00 0.00 H new ATOM 0 HB2 SER A 129 -13.731 -11.019 0.463 1.00 0.00 H new ATOM 0 HB3 SER A 129 -12.360 -11.652 1.354 1.00 0.00 H new ATOM 0 HG SER A 129 -14.378 -12.117 2.400 1.00 0.00 H new ATOM 773 N THR A 130 -12.442 -8.539 -0.719 1.00 0.00 N ATOM 774 CA THR A 130 -11.788 -8.165 -1.967 1.00 0.00 C ATOM 775 C THR A 130 -10.550 -7.317 -1.696 1.00 0.00 C ATOM 776 O THR A 130 -9.550 -7.413 -2.406 1.00 0.00 O ATOM 777 CB THR A 130 -12.756 -7.396 -2.864 1.00 0.00 C ATOM 778 OG1 THR A 130 -14.082 -7.862 -2.687 1.00 0.00 O ATOM 779 CG2 THR A 130 -12.422 -7.508 -4.335 1.00 0.00 C ATOM 0 H THR A 130 -13.423 -8.265 -0.657 1.00 0.00 H new ATOM 0 HA THR A 130 -11.480 -9.079 -2.475 1.00 0.00 H new ATOM 0 HB THR A 130 -12.662 -6.352 -2.564 1.00 0.00 H new ATOM 0 HG1 THR A 130 -14.687 -7.356 -3.269 1.00 0.00 H new ATOM 0 HG21 THR A 130 -13.147 -6.940 -4.917 1.00 0.00 H new ATOM 0 HG22 THR A 130 -11.423 -7.110 -4.513 1.00 0.00 H new ATOM 0 HG23 THR A 130 -12.455 -8.555 -4.637 1.00 0.00 H new ATOM 787 N GLU A 131 -10.628 -6.489 -0.659 1.00 0.00 N ATOM 788 CA GLU A 131 -9.517 -5.623 -0.286 1.00 0.00 C ATOM 789 C GLU A 131 -8.268 -6.442 0.013 1.00 0.00 C ATOM 790 O GLU A 131 -7.274 -6.364 -0.708 1.00 0.00 O ATOM 791 CB GLU A 131 -9.892 -4.780 0.932 1.00 0.00 C ATOM 792 CG GLU A 131 -10.248 -3.348 0.585 1.00 0.00 C ATOM 793 CD GLU A 131 -11.528 -3.251 -0.219 1.00 0.00 C ATOM 794 OE1 GLU A 131 -12.321 -4.214 -0.189 1.00 0.00 O ATOM 795 OE2 GLU A 131 -11.738 -2.212 -0.879 1.00 0.00 O ATOM 0 H GLU A 131 -11.450 -6.400 -0.062 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.303 -4.962 -1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -10.737 -5.244 1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -9.059 -4.780 1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -10.354 -2.770 1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -9.431 -2.900 0.019 1.00 0.00 H new ATOM 802 N GLU A 132 -8.328 -7.230 1.080 1.00 0.00 N ATOM 803 CA GLU A 132 -7.202 -8.067 1.474 1.00 0.00 C ATOM 804 C GLU A 132 -6.785 -8.982 0.329 1.00 0.00 C ATOM 805 O GLU A 132 -5.620 -9.354 0.213 1.00 0.00 O ATOM 806 CB GLU A 132 -7.560 -8.906 2.703 1.00 0.00 C ATOM 807 CG GLU A 132 -8.330 -8.139 3.765 1.00 0.00 C ATOM 808 CD GLU A 132 -7.645 -8.164 5.117 1.00 0.00 C ATOM 809 OE1 GLU A 132 -6.555 -7.568 5.242 1.00 0.00 O ATOM 810 OE2 GLU A 132 -8.200 -8.779 6.052 1.00 0.00 O ATOM 0 H GLU A 132 -9.144 -7.307 1.687 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.367 -7.413 1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.153 -9.764 2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -6.643 -9.298 3.144 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.452 -7.105 3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.329 -8.563 3.861 1.00 0.00 H new ATOM 817 N LEU A 133 -7.747 -9.339 -0.515 1.00 0.00 N ATOM 818 CA LEU A 133 -7.485 -10.213 -1.653 1.00 0.00 C ATOM 819 C LEU A 133 -6.396 -9.635 -2.555 1.00 0.00 C ATOM 820 O LEU A 133 -5.400 -10.298 -2.843 1.00 0.00 O ATOM 821 CB LEU A 133 -8.772 -10.433 -2.452 1.00 0.00 C ATOM 822 CG LEU A 133 -9.464 -11.778 -2.211 1.00 0.00 C ATOM 823 CD1 LEU A 133 -9.600 -12.055 -0.718 1.00 0.00 C ATOM 824 CD2 LEU A 133 -10.827 -11.804 -2.892 1.00 0.00 C ATOM 0 H LEU A 133 -8.717 -9.036 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 133 -7.132 -11.171 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.472 -9.633 -2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.542 -10.346 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 133 -8.848 -12.565 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -10.094 -13.015 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.611 -12.082 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -10.193 -11.266 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -11.306 -12.766 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -11.451 -11.007 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -10.701 -11.657 -3.965 1.00 0.00 H new ATOM 836 N ARG A 134 -6.593 -8.397 -2.998 1.00 0.00 N ATOM 837 CA ARG A 134 -5.627 -7.734 -3.868 1.00 0.00 C ATOM 838 C ARG A 134 -4.432 -7.215 -3.073 1.00 0.00 C ATOM 839 O ARG A 134 -3.350 -7.010 -3.624 1.00 0.00 O ATOM 840 CB ARG A 134 -6.295 -6.577 -4.617 1.00 0.00 C ATOM 841 CG ARG A 134 -6.684 -5.407 -3.721 1.00 0.00 C ATOM 842 CD ARG A 134 -7.134 -4.190 -4.524 1.00 0.00 C ATOM 843 NE ARG A 134 -7.057 -4.407 -5.969 1.00 0.00 N ATOM 844 CZ ARG A 134 -7.977 -5.066 -6.670 1.00 0.00 C ATOM 845 NH1 ARG A 134 -9.044 -5.574 -6.066 1.00 0.00 N ATOM 846 NH2 ARG A 134 -7.830 -5.216 -7.980 1.00 0.00 N ATOM 0 H ARG A 134 -7.412 -7.833 -2.769 1.00 0.00 H new ATOM 0 HA ARG A 134 -5.266 -8.469 -4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -5.618 -6.219 -5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -7.187 -6.949 -5.120 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -7.487 -5.716 -3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -5.835 -5.133 -3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -8.160 -3.940 -4.252 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -6.515 -3.334 -4.256 1.00 0.00 H new ATOM 0 HE ARG A 134 -6.251 -4.031 -6.469 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -9.163 -5.460 -5.059 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -9.746 -6.078 -6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -7.012 -4.827 -8.449 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -8.535 -5.721 -8.518 1.00 0.00 H new ATOM 860 N VAL A 135 -4.637 -6.996 -1.779 1.00 0.00 N ATOM 861 CA VAL A 135 -3.582 -6.491 -0.910 1.00 0.00 C ATOM 862 C VAL A 135 -2.647 -7.611 -0.453 1.00 0.00 C ATOM 863 O VAL A 135 -1.460 -7.384 -0.220 1.00 0.00 O ATOM 864 CB VAL A 135 -4.181 -5.787 0.326 1.00 0.00 C ATOM 865 CG1 VAL A 135 -3.091 -5.184 1.198 1.00 0.00 C ATOM 866 CG2 VAL A 135 -5.175 -4.719 -0.106 1.00 0.00 C ATOM 0 H VAL A 135 -5.527 -7.161 -1.308 1.00 0.00 H new ATOM 0 HA VAL A 135 -3.004 -5.772 -1.491 1.00 0.00 H new ATOM 0 HB VAL A 135 -4.706 -6.534 0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -3.544 -4.695 2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -2.420 -5.972 1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -2.527 -4.452 0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -5.590 -4.230 0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -4.668 -3.980 -0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.980 -5.181 -0.677 1.00 0.00 H new ATOM 876 N ARG A 136 -3.188 -8.818 -0.321 1.00 0.00 N ATOM 877 CA ARG A 136 -2.401 -9.968 0.119 1.00 0.00 C ATOM 878 C ARG A 136 -1.248 -10.263 -0.837 1.00 0.00 C ATOM 879 O ARG A 136 -0.107 -10.422 -0.409 1.00 0.00 O ATOM 880 CB ARG A 136 -3.292 -11.206 0.253 1.00 0.00 C ATOM 881 CG ARG A 136 -3.429 -11.699 1.685 1.00 0.00 C ATOM 882 CD ARG A 136 -4.886 -11.843 2.096 1.00 0.00 C ATOM 883 NE ARG A 136 -5.058 -11.742 3.543 1.00 0.00 N ATOM 884 CZ ARG A 136 -6.243 -11.665 4.146 1.00 0.00 C ATOM 885 NH1 ARG A 136 -7.361 -11.681 3.432 1.00 0.00 N ATOM 886 NH2 ARG A 136 -6.309 -11.574 5.467 1.00 0.00 N ATOM 0 H ARG A 136 -4.168 -9.027 -0.512 1.00 0.00 H new ATOM 0 HA ARG A 136 -1.978 -9.719 1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.282 -10.976 -0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.883 -12.008 -0.362 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -2.926 -12.660 1.788 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -2.928 -11.003 2.358 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -5.479 -11.071 1.605 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -5.267 -12.805 1.752 1.00 0.00 H new ATOM 0 HE ARG A 136 -4.221 -11.730 4.126 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -7.316 -11.753 2.416 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -8.266 -11.622 3.900 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -5.453 -11.563 6.021 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -7.216 -11.515 5.929 1.00 0.00 H new ATOM 900 N LEU A 137 -1.556 -10.351 -2.128 1.00 0.00 N ATOM 901 CA LEU A 137 -0.547 -10.646 -3.146 1.00 0.00 C ATOM 902 C LEU A 137 0.730 -9.826 -2.950 1.00 0.00 C ATOM 903 O LEU A 137 1.829 -10.292 -3.251 1.00 0.00 O ATOM 904 CB LEU A 137 -1.115 -10.388 -4.542 1.00 0.00 C ATOM 905 CG LEU A 137 -0.386 -11.111 -5.676 1.00 0.00 C ATOM 906 CD1 LEU A 137 1.033 -10.586 -5.817 1.00 0.00 C ATOM 907 CD2 LEU A 137 -0.376 -12.612 -5.431 1.00 0.00 C ATOM 0 H LEU A 137 -2.498 -10.222 -2.497 1.00 0.00 H new ATOM 0 HA LEU A 137 -0.284 -11.699 -3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.163 -10.688 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -1.088 -9.316 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 137 -0.919 -10.917 -6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 137 1.536 -11.112 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 137 1.006 -9.519 -6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 137 1.576 -10.750 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 137 0.147 -13.110 -6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 137 0.134 -12.824 -4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -1.401 -12.979 -5.379 1.00 0.00 H new ATOM 919 N ALA A 138 0.582 -8.602 -2.460 1.00 0.00 N ATOM 920 CA ALA A 138 1.727 -7.720 -2.247 1.00 0.00 C ATOM 921 C ALA A 138 2.261 -7.797 -0.816 1.00 0.00 C ATOM 922 O ALA A 138 3.204 -7.089 -0.461 1.00 0.00 O ATOM 923 CB ALA A 138 1.341 -6.290 -2.585 1.00 0.00 C ATOM 0 H ALA A 138 -0.317 -8.196 -2.202 1.00 0.00 H new ATOM 0 HA ALA A 138 2.528 -8.054 -2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.197 -5.635 -2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 138 1.031 -6.234 -3.628 1.00 0.00 H new ATOM 0 HB3 ALA A 138 0.518 -5.974 -1.944 1.00 0.00 H new ATOM 929 N SER A 139 1.647 -8.637 0.006 1.00 0.00 N ATOM 930 CA SER A 139 2.051 -8.779 1.400 1.00 0.00 C ATOM 931 C SER A 139 3.277 -9.680 1.570 1.00 0.00 C ATOM 932 O SER A 139 3.779 -9.836 2.683 1.00 0.00 O ATOM 933 CB SER A 139 0.888 -9.330 2.221 1.00 0.00 C ATOM 934 OG SER A 139 1.301 -9.661 3.536 1.00 0.00 O ATOM 0 H SER A 139 0.865 -9.232 -0.268 1.00 0.00 H new ATOM 0 HA SER A 139 2.328 -7.787 1.757 1.00 0.00 H new ATOM 0 HB2 SER A 139 0.087 -8.592 2.263 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.480 -10.214 1.731 1.00 0.00 H new ATOM 0 HG SER A 139 2.270 -9.538 3.615 1.00 0.00 H new ATOM 940 N HIS A 140 3.763 -10.273 0.481 1.00 0.00 N ATOM 941 CA HIS A 140 4.933 -11.148 0.567 1.00 0.00 C ATOM 942 C HIS A 140 6.222 -10.402 0.225 1.00 0.00 C ATOM 943 O HIS A 140 7.318 -10.909 0.465 1.00 0.00 O ATOM 944 CB HIS A 140 4.798 -12.380 -0.342 1.00 0.00 C ATOM 945 CG HIS A 140 3.504 -12.474 -1.092 1.00 0.00 C ATOM 946 ND1 HIS A 140 2.268 -12.268 -0.525 1.00 0.00 N ATOM 947 CD2 HIS A 140 3.272 -12.777 -2.395 1.00 0.00 C ATOM 948 CE1 HIS A 140 1.345 -12.450 -1.478 1.00 0.00 C ATOM 949 NE2 HIS A 140 1.903 -12.761 -2.631 1.00 0.00 N ATOM 0 H HIS A 140 3.374 -10.167 -0.456 1.00 0.00 H new ATOM 0 HA HIS A 140 4.985 -11.485 1.602 1.00 0.00 H new ATOM 0 HB2 HIS A 140 5.618 -12.374 -1.061 1.00 0.00 H new ATOM 0 HB3 HIS A 140 4.914 -13.277 0.267 1.00 0.00 H new ATOM 0 HD1 HIS A 140 2.087 -12.021 0.448 1.00 0.00 H new ATOM 0 HD2 HIS A 140 4.031 -12.996 -3.131 1.00 0.00 H new ATOM 0 HE1 HIS A 140 0.281 -12.354 -1.322 1.00 0.00 H new ATOM 957 N LEU A 141 6.096 -9.205 -0.341 1.00 0.00 N ATOM 958 CA LEU A 141 7.269 -8.419 -0.712 1.00 0.00 C ATOM 959 C LEU A 141 7.210 -7.013 -0.126 1.00 0.00 C ATOM 960 O LEU A 141 8.064 -6.625 0.669 1.00 0.00 O ATOM 961 CB LEU A 141 7.393 -8.335 -2.233 1.00 0.00 C ATOM 962 CG LEU A 141 8.564 -7.484 -2.734 1.00 0.00 C ATOM 963 CD1 LEU A 141 9.673 -8.368 -3.282 1.00 0.00 C ATOM 964 CD2 LEU A 141 8.094 -6.492 -3.788 1.00 0.00 C ATOM 0 H LEU A 141 5.202 -8.761 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 141 8.144 -8.924 -0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 141 7.498 -9.344 -2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 141 6.466 -7.928 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 141 8.963 -6.921 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 141 10.495 -7.745 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 141 10.031 -9.032 -2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 141 9.289 -8.962 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 141 8.941 -5.897 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 141 7.665 -7.033 -4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 141 7.339 -5.834 -3.358 1.00 0.00 H new ATOM 976 N ARG A 142 6.204 -6.248 -0.537 1.00 0.00 N ATOM 977 CA ARG A 142 6.039 -4.874 -0.066 1.00 0.00 C ATOM 978 C ARG A 142 6.235 -4.769 1.444 1.00 0.00 C ATOM 979 O ARG A 142 6.942 -3.883 1.926 1.00 0.00 O ATOM 980 CB ARG A 142 4.655 -4.347 -0.450 1.00 0.00 C ATOM 981 CG ARG A 142 4.269 -4.637 -1.893 1.00 0.00 C ATOM 982 CD ARG A 142 5.422 -4.378 -2.851 1.00 0.00 C ATOM 983 NE ARG A 142 4.989 -4.430 -4.244 1.00 0.00 N ATOM 984 CZ ARG A 142 4.634 -5.551 -4.867 1.00 0.00 C ATOM 985 NH1 ARG A 142 4.688 -6.716 -4.233 1.00 0.00 N ATOM 986 NH2 ARG A 142 4.228 -5.508 -6.126 1.00 0.00 N ATOM 0 H ARG A 142 5.489 -6.555 -1.196 1.00 0.00 H new ATOM 0 HA ARG A 142 6.805 -4.266 -0.547 1.00 0.00 H new ATOM 0 HB2 ARG A 142 3.911 -4.790 0.212 1.00 0.00 H new ATOM 0 HB3 ARG A 142 4.627 -3.270 -0.285 1.00 0.00 H new ATOM 0 HG2 ARG A 142 3.949 -5.675 -1.982 1.00 0.00 H new ATOM 0 HG3 ARG A 142 3.418 -4.016 -2.173 1.00 0.00 H new ATOM 0 HD2 ARG A 142 5.857 -3.401 -2.641 1.00 0.00 H new ATOM 0 HD3 ARG A 142 6.206 -5.117 -2.686 1.00 0.00 H new ATOM 0 HE ARG A 142 4.957 -3.557 -4.770 1.00 0.00 H new ATOM 0 HH11 ARG A 142 5.003 -6.755 -3.264 1.00 0.00 H new ATOM 0 HH12 ARG A 142 4.415 -7.572 -4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 142 4.187 -4.616 -6.619 1.00 0.00 H new ATOM 0 HH22 ARG A 142 3.956 -6.367 -6.604 1.00 0.00 H new ATOM 1000 N LYS A 143 5.607 -5.674 2.186 1.00 0.00 N ATOM 1001 CA LYS A 143 5.719 -5.675 3.639 1.00 0.00 C ATOM 1002 C LYS A 143 6.976 -6.415 4.090 1.00 0.00 C ATOM 1003 O LYS A 143 7.532 -6.123 5.148 1.00 0.00 O ATOM 1004 CB LYS A 143 4.476 -6.307 4.267 1.00 0.00 C ATOM 1005 CG LYS A 143 3.681 -5.341 5.130 1.00 0.00 C ATOM 1006 CD LYS A 143 3.269 -4.104 4.348 1.00 0.00 C ATOM 1007 CE LYS A 143 2.170 -3.331 5.060 1.00 0.00 C ATOM 1008 NZ LYS A 143 2.655 -2.715 6.326 1.00 0.00 N ATOM 0 H LYS A 143 5.017 -6.414 1.806 1.00 0.00 H new ATOM 0 HA LYS A 143 5.795 -4.641 3.974 1.00 0.00 H new ATOM 0 HB2 LYS A 143 3.832 -6.690 3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 143 4.778 -7.161 4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 143 2.793 -5.842 5.515 1.00 0.00 H new ATOM 0 HG3 LYS A 143 4.279 -5.045 5.992 1.00 0.00 H new ATOM 0 HD2 LYS A 143 4.135 -3.458 4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 143 2.924 -4.398 3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 143 1.788 -2.552 4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 143 1.338 -4.000 5.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 1.876 -2.197 6.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 2.996 -3.460 6.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 3.432 -2.057 6.116 1.00 0.00 H new ATOM 1022 N LEU A 144 7.421 -7.371 3.279 1.00 0.00 N ATOM 1023 CA LEU A 144 8.616 -8.146 3.597 1.00 0.00 C ATOM 1024 C LEU A 144 9.869 -7.440 3.084 1.00 0.00 C ATOM 1025 O LEU A 144 10.581 -6.786 3.847 1.00 0.00 O ATOM 1026 CB LEU A 144 8.517 -9.549 2.992 1.00 0.00 C ATOM 1027 CG LEU A 144 8.007 -10.631 3.945 1.00 0.00 C ATOM 1028 CD1 LEU A 144 6.499 -10.526 4.109 1.00 0.00 C ATOM 1029 CD2 LEU A 144 8.396 -12.012 3.440 1.00 0.00 C ATOM 0 H LEU A 144 6.973 -7.627 2.399 1.00 0.00 H new ATOM 0 HA LEU A 144 8.688 -8.234 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 144 7.857 -9.509 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 144 9.502 -9.842 2.628 1.00 0.00 H new ATOM 0 HG LEU A 144 8.470 -10.480 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.152 -11.303 4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 144 6.244 -9.547 4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 144 6.018 -10.652 3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.025 -12.770 4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.961 -12.175 2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 144 9.482 -12.082 3.373 1.00 0.00 H new